id	sid	tid	token	lemma	pos
admet-2278	1	1	modelling	modelling	NOUN
admet-2278	1	2	of	of	ADP
admet-2278	1	3	chromatographic	chromatographic	ADJ
admet-2278	1	4	and	and	CCONJ
admet-2278	1	5	electrophoretic	electrophoretic	ADJ
admet-2278	1	6	behaviour	behaviour	NOUN
admet-2278	1	7	of	of	ADP
admet-2278	1	8	imidazoline	imidazoline	NOUN
admet-2278	1	9	and	and	CCONJ
admet-2278	1	10	alpha	alpha	NOUN
admet-2278	1	11	adrenergic	adrenergic	NOUN
admet-2278	1	12	receptors	receptor	NOUN
admet-2278	1	13	ligands	ligand	NOUN
admet-2278	1	14	under	under	ADP
admet-2278	1	15	different	different	ADJ
admet-2278	1	16	acid	acid	NOUN
admet-2278	1	17	-	-	PUNCT
admet-2278	1	18	base	base	NOUN
admet-2278	1	19	conditions	condition	NOUN
admet-2278	1	20	doi	doi	NOUN
admet-2278	1	21	:	:	PUNCT
admet-2278	1	22	https://doi.org/10.5599/admet.2278	https://doi.org/10.5599/admet.2278	PROPN
admet-2278	1	23	737	737	NUM
admet-2278	1	24	admet	admet	X
admet-2278	1	25	&	&	CCONJ
admet-2278	1	26	dmpk	dmpk	PROPN
admet-2278	1	27	12(5	12(5	NUM
admet-2278	1	28	)	)	PUNCT
admet-2278	1	29	(	(	PUNCT
admet-2278	1	30	2024	2024	NUM
admet-2278	1	31	)	)	PUNCT
admet-2278	1	32	737	737	NUM
admet-2278	1	33	-	-	SYM
admet-2278	1	34	757	757	NOUN
admet-2278	1	35	;	;	PUNCT
admet-2278	1	36	doi	doi	NOUN
admet-2278	1	37	:	:	PUNCT
admet-2278	1	38	https://doi.org/10.5599/admet.2278	https://doi.org/10.5599/admet.2278	PROPN
admet-2278	1	39	open	open	ADJ
admet-2278	1	40	access	access	NOUN
admet-2278	1	41	:	:	PUNCT
admet-2278	1	42	issn	issn	PROPN
admet-2278	1	43	:	:	PUNCT
admet-2278	1	44	1848	1848	NUM
admet-2278	1	45	-	-	SYM
admet-2278	1	46	7718	7718	NUM
admet-2278	1	47	http://www.pub.iapchem.org/ojs/index.php/admet/index	http://www.pub.iapchem.org/ojs/index.php/admet/index	NOUN
admet-2278	1	48	original	original	ADJ
admet-2278	1	49	scientific	scientific	ADJ
admet-2278	1	50	paper	paper	NOUN
admet-2278	1	51	modelling	modelling	NOUN
admet-2278	1	52	of	of	ADP
admet-2278	1	53	chromatographic	chromatographic	ADJ
admet-2278	1	54	and	and	CCONJ
admet-2278	1	55	electrophoretic	electrophoretic	ADJ
admet-2278	1	56	behaviour	behaviour	NOUN
admet-2278	1	57	of	of	ADP
admet-2278	1	58	imidazoline	imidazoline	NOUN
admet-2278	1	59	and	and	CCONJ
admet-2278	1	60	alpha	alpha	NOUN
admet-2278	1	61	adrenergic	adrenergic	NOUN
admet-2278	1	62	receptors	receptor	NOUN
admet-2278	1	63	ligands	ligand	NOUN
admet-2278	1	64	under	under	ADP
admet-2278	1	65	different	different	ADJ
admet-2278	1	66	acid	acid	NOUN
admet-2278	1	67	-	-	PUNCT
admet-2278	1	68	base	base	NOUN
admet-2278	1	69	conditions	condition	NOUN
admet-2278	1	70	slavica	slavica	PROPN
admet-2278	1	71	oljacic1	oljacic1	PROPN
admet-2278	1	72	,	,	PUNCT
admet-2278	1	73	*	*	PUNCT
admet-2278	1	74	,	,	PUNCT
admet-2278	1	75	mitja	mitja	NOUN
admet-2278	1	76	križman2	križman2	NOUN
admet-2278	1	77	,	,	PUNCT
admet-2278	1	78	marija	marija	ADJ
admet-2278	1	79	popovic	popovic	PROPN
admet-2278	1	80	-	-	PUNCT
admet-2278	1	81	nikolic1	nikolic1	PROPN
admet-2278	1	82	,	,	PUNCT
admet-2278	1	83	irena	irena	NOUN
admet-2278	1	84	vovk2	vovk2	NOUN
admet-2278	1	85	,	,	PUNCT
admet-2278	1	86	katarina	katarina	PROPN
admet-2278	1	87	nikolic1	nikolic1	PROPN
admet-2278	1	88	and	and	CCONJ
admet-2278	1	89	danica	danica	PROPN
admet-2278	1	90	agbaba1	agbaba1	PROPN
admet-2278	1	91	1department	1department	NUM
admet-2278	1	92	of	of	ADP
admet-2278	1	93	pharmaceutical	pharmaceutical	ADJ
admet-2278	1	94	chemistry	chemistry	NOUN
admet-2278	1	95	,	,	PUNCT
admet-2278	1	96	faculty	faculty	NOUN
admet-2278	1	97	of	of	ADP
admet-2278	1	98	pharmacy	pharmacy	NOUN
admet-2278	1	99	,	,	PUNCT
admet-2278	1	100	university	university	PROPN
admet-2278	1	101	of	of	ADP
admet-2278	1	102	belgrade	belgrade	PROPN
admet-2278	1	103	,	,	PUNCT
admet-2278	1	104	vojvode	vojvode	ADJ
admet-2278	1	105	stepe	stepe	NOUN
admet-2278	1	106	450	450	NUM
admet-2278	1	107	,	,	PUNCT
admet-2278	1	108	11000	11000	NUM
admet-2278	1	109	belgrade	belgrade	NOUN
admet-2278	1	110	,	,	PUNCT
admet-2278	1	111	serbia	serbia	PROPN
admet-2278	1	112	2laboratory	2laboratory	NUM
admet-2278	1	113	of	of	ADP
admet-2278	1	114	food	food	NOUN
admet-2278	1	115	chemistry	chemistry	NOUN
admet-2278	1	116	,	,	PUNCT
admet-2278	1	117	national	national	PROPN
admet-2278	1	118	institute	institute	PROPN
admet-2278	1	119	of	of	ADP
admet-2278	1	120	chemistry	chemistry	PROPN
admet-2278	1	121	,	,	PUNCT
admet-2278	1	122	hajdrihova	hajdrihova	X
admet-2278	1	123	19	19	NUM
admet-2278	1	124	,	,	PUNCT
admet-2278	1	125	1000	1000	NUM
admet-2278	1	126	ljubljana	ljubljana	PROPN
admet-2278	1	127	,	,	PUNCT
admet-2278	1	128	slovenia	slovenia	PROPN
admet-2278	1	129	*	*	PUNCT
admet-2278	1	130	corresponding	correspond	VERB
admet-2278	1	131	author	author	NOUN
admet-2278	1	132	:	:	PUNCT
admet-2278	1	133	e	e	NOUN
admet-2278	1	134	-	-	NOUN
admet-2278	1	135	mail	mail	NOUN
admet-2278	1	136	:	:	PUNCT
admet-2278	1	137	slavica.oljacic@pharmacy.bg.ac.rs	slavica.oljacic@pharmacy.bg.ac.rs	NOUN
admet-2278	1	138	;	;	PUNCT
admet-2278	1	139	tel	tel	PROPN
admet-2278	1	140	.	.	PUNCT
admet-2278	1	141	:	:	PUNCT
admet-2278	2	1	+381	+381	NUM
admet-2278	2	2	11	11	NUM
admet-2278	2	3	3951	3951	NUM
admet-2278	2	4	335	335	NUM
admet-2278	2	5	;	;	PUNCT
admet-2278	2	6	fax	fax	NOUN
admet-2278	2	7	:	:	PUNCT
admet-2278	2	8	+381	+381	NUM
admet-2278	2	9	11	11	NUM
admet-2278	2	10	3974	3974	NUM
admet-2278	2	11	349	349	NUM
admet-2278	2	12	received	receive	VERB
admet-2278	2	13	:	:	PUNCT
admet-2278	2	14	february	february	NOUN
admet-2278	2	15	8	8	NUM
admet-2278	2	16	,	,	PUNCT
admet-2278	2	17	2024	2024	NUM
admet-2278	2	18	;	;	PUNCT
admet-2278	2	19	revised	revise	VERB
admet-2278	2	20	:	:	PUNCT
admet-2278	2	21	april	april	PROPN
admet-2278	2	22	27	27	NUM
admet-2278	2	23	,	,	PUNCT
admet-2278	2	24	2024	2024	NUM
admet-2278	2	25	;	;	PUNCT
admet-2278	2	26	published	publish	VERB
admet-2278	2	27	:	:	PUNCT
admet-2278	2	28	may	may	AUX
admet-2278	2	29	3,2024	3,2024	NUM
admet-2278	2	30	abstract	abstract	ADJ
admet-2278	2	31	background	background	NOUN
admet-2278	2	32	and	and	CCONJ
admet-2278	2	33	purpose	purpose	NOUN
admet-2278	2	34	:	:	PUNCT
admet-2278	2	35	the	the	DET
admet-2278	2	36	ligands	ligand	NOUN
admet-2278	2	37	of	of	ADP
admet-2278	2	38	the	the	DET
admet-2278	2	39	imidazoline	imidazoline	NOUN
admet-2278	2	40	and	and	CCONJ
admet-2278	2	41	α	α	NOUN
admet-2278	2	42	-	-	ADJ
admet-2278	2	43	adrenergic	adrenergic	ADJ
admet-2278	2	44	receptors	receptor	NOUN
admet-2278	2	45	are	be	AUX
admet-2278	2	46	mainly	mainly	ADV
admet-2278	2	47	imidazoline	imidazoline	NOUN
admet-2278	2	48	and	and	CCONJ
admet-2278	2	49	guanidine	guanidine	ADJ
admet-2278	2	50	derivatives	derivative	NOUN
admet-2278	2	51	,	,	PUNCT
admet-2278	2	52	known	know	VERB
admet-2278	2	53	as	as	ADP
admet-2278	2	54	centrally	centrally	ADV
admet-2278	2	55	-	-	PUNCT
admet-2278	2	56	acting	act	VERB
admet-2278	2	57	antihypertensives	antihypertensive	NOUN
admet-2278	2	58	and	and	CCONJ
admet-2278	2	59	compounds	compound	NOUN
admet-2278	2	60	with	with	ADP
admet-2278	2	61	potential	potential	ADJ
admet-2278	2	62	use	use	NOUN
admet-2278	2	63	in	in	ADP
admet-2278	2	64	various	various	ADJ
admet-2278	2	65	neurological	neurological	ADJ
admet-2278	2	66	disorders	disorder	NOUN
admet-2278	2	67	.	.	PUNCT
admet-2278	3	1	the	the	DET
admet-2278	3	2	extent	extent	NOUN
admet-2278	3	3	of	of	ADP
admet-2278	3	4	their	their	PRON
admet-2278	3	5	ionisation	ionisation	NOUN
admet-2278	3	6	has	have	VERB
admet-2278	3	7	a	a	DET
admet-2278	3	8	major	major	ADJ
admet-2278	3	9	influence	influence	NOUN
admet-2278	3	10	on	on	ADP
admet-2278	3	11	their	their	PRON
admet-2278	3	12	behaviour	behaviour	NOUN
admet-2278	3	13	in	in	ADP
admet-2278	3	14	the	the	DET
admet-2278	3	15	different	different	ADJ
admet-2278	3	16	analytical	analytical	ADJ
admet-2278	3	17	systems	system	NOUN
admet-2278	3	18	.	.	PUNCT
admet-2278	4	1	the	the	DET
admet-2278	4	2	main	main	ADJ
admet-2278	4	3	objective	objective	NOUN
admet-2278	4	4	of	of	ADP
admet-2278	4	5	this	this	DET
admet-2278	4	6	work	work	NOUN
admet-2278	4	7	was	be	AUX
admet-2278	4	8	to	to	PART
admet-2278	4	9	compare	compare	VERB
admet-2278	4	10	the	the	DET
admet-2278	4	11	mechanism	mechanism	NOUN
admet-2278	4	12	of	of	ADP
admet-2278	4	13	chromatographic	chromatographic	ADJ
admet-2278	4	14	retention	retention	NOUN
admet-2278	4	15	and	and	CCONJ
admet-2278	4	16	electrophoretic	electrophoretic	ADJ
admet-2278	4	17	mobility	mobility	NOUN
admet-2278	4	18	under	under	ADP
admet-2278	4	19	acidic	acidic	ADJ
admet-2278	4	20	,	,	PUNCT
admet-2278	4	21	neutral	neutral	ADJ
admet-2278	4	22	and	and	CCONJ
admet-2278	4	23	basic	basic	ADJ
admet-2278	4	24	conditions	condition	NOUN
admet-2278	4	25	.	.	PUNCT
admet-2278	5	1	experimental	experimental	ADJ
admet-2278	5	2	approach	approach	NOUN
admet-2278	5	3	:	:	PUNCT
admet-2278	5	4	multiple	multiple	ADJ
admet-2278	5	5	linear	linear	ADJ
admet-2278	5	6	regression	regression	NOUN
admet-2278	5	7	and	and	CCONJ
admet-2278	5	8	partial	partial	ADJ
admet-2278	5	9	least	least	ADJ
admet-2278	5	10	squares	square	NOUN
admet-2278	5	11	regression	regression	NOUN
admet-2278	5	12	were	be	AUX
admet-2278	5	13	applied	apply	VERB
admet-2278	5	14	for	for	ADP
admet-2278	5	15	the	the	DET
admet-2278	5	16	qsrr	qsrr	NOUN
admet-2278	5	17	(	(	PUNCT
admet-2278	5	18	quantitative	quantitative	ADJ
admet-2278	5	19	structure	structure	NOUN
admet-2278	5	20	-	-	PUNCT
admet-2278	5	21	retention	retention	NOUN
admet-2278	5	22	relationship	relationship	NOUN
admet-2278	5	23	)	)	PUNCT
admet-2278	5	24	and	and	CCONJ
admet-2278	5	25	qsmr	qsmr	NOUN
admet-2278	5	26	(	(	PUNCT
admet-2278	5	27	quantitative	quantitative	ADJ
admet-2278	5	28	structure	structure	NOUN
admet-2278	5	29	-	-	PUNCT
admet-2278	5	30	mobility	mobility	NOUN
admet-2278	5	31	relationship	relationship	NOUN
admet-2278	5	32	)	)	PUNCT
admet-2278	5	33	modelling	modelling	NOUN
admet-2278	5	34	and	and	CCONJ
admet-2278	5	35	to	to	PART
admet-2278	5	36	select	select	VERB
admet-2278	5	37	the	the	DET
admet-2278	5	38	most	most	ADV
admet-2278	5	39	important	important	ADJ
admet-2278	5	40	molecular	molecular	ADJ
admet-2278	5	41	parameters	parameter	NOUN
admet-2278	5	42	describing	describe	VERB
admet-2278	5	43	the	the	DET
admet-2278	5	44	chromatographic	chromatographic	ADJ
admet-2278	5	45	and	and	CCONJ
admet-2278	5	46	electrophoretic	electrophoretic	ADJ
admet-2278	5	47	behaviour	behaviour	NOUN
admet-2278	5	48	of	of	ADP
admet-2278	5	49	the	the	DET
admet-2278	5	50	investigated	investigate	VERB
admet-2278	5	51	compounds	compound	NOUN
admet-2278	5	52	.	.	PUNCT
admet-2278	6	1	key	key	ADJ
admet-2278	6	2	results	result	NOUN
admet-2278	6	3	:	:	PUNCT
admet-2278	6	4	the	the	DET
admet-2278	6	5	most	most	ADV
admet-2278	6	6	important	important	ADJ
admet-2278	6	7	molecular	molecular	ADJ
admet-2278	6	8	descriptors	descriptor	NOUN
admet-2278	6	9	,	,	PUNCT
admet-2278	6	10	such	such	ADJ
admet-2278	6	11	as	as	ADP
admet-2278	6	12	the	the	DET
admet-2278	6	13	chemical	chemical	NOUN
admet-2278	6	14	composition	composition	NOUN
admet-2278	6	15	of	of	ADP
admet-2278	6	16	the	the	DET
admet-2278	6	17	compounds	compound	NOUN
admet-2278	6	18	,	,	PUNCT
admet-2278	6	19	lipophilicity	lipophilicity	NOUN
admet-2278	6	20	,	,	PUNCT
admet-2278	6	21	polarizability	polarizability	NOUN
admet-2278	6	22	and	and	CCONJ
admet-2278	6	23	molecular	molecular	ADJ
admet-2278	6	24	branching	branching	NOUN
admet-2278	6	25	,	,	PUNCT
admet-2278	6	26	in	in	ADP
admet-2278	6	27	the	the	DET
admet-2278	6	28	selected	select	VERB
admet-2278	6	29	qsrr	qsrr	NOUN
admet-2278	6	30	models	model	NOUN
admet-2278	6	31	showed	show	VERB
admet-2278	6	32	that	that	SCONJ
admet-2278	6	33	an	an	DET
admet-2278	6	34	important	important	ADJ
admet-2278	6	35	insight	insight	NOUN
admet-2278	6	36	into	into	ADP
admet-2278	6	37	the	the	DET
admet-2278	6	38	retention	retention	NOUN
admet-2278	6	39	behaviour	behaviour	NOUN
admet-2278	6	40	can	can	AUX
admet-2278	6	41	be	be	AUX
admet-2278	6	42	derived	derive	VERB
admet-2278	6	43	from	from	ADP
admet-2278	6	44	the	the	DET
admet-2278	6	45	0d-	0d-	NOUN
admet-2278	6	46	,	,	PUNCT
admet-2278	6	47	1dand	1dand	NUM
admet-2278	6	48	2d	2d	NOUN
admet-2278	6	49	-	-	PUNCT
admet-2278	6	50	descriptors	descriptor	NOUN
admet-2278	6	51	.	.	PUNCT
admet-2278	7	1	the	the	DET
admet-2278	7	2	electrophoretic	electrophoretic	ADJ
admet-2278	7	3	mobility	mobility	NOUN
admet-2278	7	4	could	could	AUX
admet-2278	7	5	be	be	AUX
admet-2278	7	6	explained	explain	VERB
admet-2278	7	7	by	by	ADP
admet-2278	7	8	2dand	2dand	NUM
admet-2278	7	9	3d	3d	NUM
admet-2278	7	10	-	-	PUNCT
admet-2278	7	11	descriptors	descriptor	NOUN
admet-2278	7	12	,	,	PUNCT
admet-2278	7	13	which	which	PRON
admet-2278	7	14	provide	provide	VERB
admet-2278	7	15	information	information	NOUN
admet-2278	7	16	on	on	ADP
admet-2278	7	17	the	the	DET
admet-2278	7	18	molecular	molecular	ADJ
admet-2278	7	19	mass	mass	NOUN
admet-2278	7	20	,	,	PUNCT
admet-2278	7	21	size	size	NOUN
admet-2278	7	22	and	and	CCONJ
admet-2278	7	23	complexity	complexity	NOUN
admet-2278	7	24	,	,	PUNCT
admet-2278	7	25	as	as	ADV
admet-2278	7	26	well	well	ADV
admet-2278	7	27	as	as	ADP
admet-2278	7	28	on	on	ADP
admet-2278	7	29	the	the	DET
admet-2278	7	30	influence	influence	NOUN
admet-2278	7	31	of	of	ADP
admet-2278	7	32	charge	charge	NOUN
admet-2278	7	33	transfer	transfer	NOUN
admet-2278	7	34	and	and	CCONJ
admet-2278	7	35	electronic	electronic	ADJ
admet-2278	7	36	properties	property	NOUN
admet-2278	7	37	on	on	ADP
admet-2278	7	38	the	the	DET
admet-2278	7	39	migration	migration	NOUN
admet-2278	7	40	behaviour	behaviour	NOUN
admet-2278	7	41	.	.	PUNCT
admet-2278	8	1	conclusion	conclusion	NOUN
admet-2278	8	2	:	:	PUNCT
admet-2278	8	3	all	all	PRON
admet-2278	8	4	created	create	VERB
admet-2278	8	5	qsrr	qsrr	NOUN
admet-2278	8	6	/	/	SYM
admet-2278	8	7	qsmr	qsmr	NOUN
admet-2278	8	8	models	model	NOUN
admet-2278	8	9	met	meet	VERB
admet-2278	8	10	the	the	DET
admet-2278	8	11	stringent	stringent	ADJ
admet-2278	8	12	validation	validation	NOUN
admet-2278	8	13	criteria	criterion	NOUN
admet-2278	8	14	and	and	CCONJ
admet-2278	8	15	showed	show	VERB
admet-2278	8	16	high	high	ADJ
admet-2278	8	17	potential	potential	NOUN
admet-2278	8	18	in	in	ADP
admet-2278	8	19	describing	describe	VERB
admet-2278	8	20	the	the	DET
admet-2278	8	21	chromatographic	chromatographic	ADJ
admet-2278	8	22	and	and	CCONJ
admet-2278	8	23	electrophoretic	electrophoretic	ADJ
admet-2278	8	24	behaviour	behaviour	NOUN
admet-2278	8	25	of	of	ADP
admet-2278	8	26	investigated	investigate	VERB
admet-2278	8	27	compounds	compound	NOUN
admet-2278	8	28	.	.	PUNCT
admet-2278	9	1	©	©	ADP
admet-2278	9	2	2024	2024	NUM
admet-2278	9	3	by	by	ADP
admet-2278	9	4	the	the	DET
admet-2278	9	5	authors	author	NOUN
admet-2278	9	6	.	.	PUNCT
admet-2278	10	1	this	this	DET
admet-2278	10	2	article	article	NOUN
admet-2278	10	3	is	be	AUX
admet-2278	10	4	an	an	DET
admet-2278	10	5	open	open	ADJ
admet-2278	10	6	-	-	PUNCT
admet-2278	10	7	access	access	NOUN
admet-2278	10	8	article	article	NOUN
admet-2278	10	9	distributed	distribute	VERB
admet-2278	10	10	under	under	ADP
admet-2278	10	11	the	the	DET
admet-2278	10	12	terms	term	NOUN
admet-2278	10	13	and	and	CCONJ
admet-2278	10	14	conditions	condition	NOUN
admet-2278	10	15	of	of	ADP
admet-2278	10	16	the	the	DET
admet-2278	10	17	creative	creative	ADJ
admet-2278	10	18	commons	common	NOUN
admet-2278	10	19	attribution	attribution	NOUN
admet-2278	10	20	license	license	NOUN
admet-2278	10	21	(	(	PUNCT
admet-2278	10	22	http://creativecommons.org/licenses/by/4.0/	http://creativecommons.org/licenses/by/4.0/	PROPN
admet-2278	10	23	)	)	PUNCT
admet-2278	10	24	.	.	PUNCT
admet-2278	11	1	keywords	keyword	VERB
admet-2278	11	2	quantitative	quantitative	ADJ
admet-2278	11	3	structure	structure	NOUN
admet-2278	11	4	-	-	PUNCT
admet-2278	11	5	retention	retention	NOUN
admet-2278	11	6	relationship	relationship	NOUN
admet-2278	11	7	;	;	PUNCT
admet-2278	11	8	quantitative	quantitative	ADJ
admet-2278	11	9	structure	structure	NOUN
admet-2278	11	10	-	-	PUNCT
admet-2278	11	11	mobility	mobility	NOUN
admet-2278	11	12	relationship	relationship	NOUN
admet-2278	11	13	;	;	PUNCT
admet-2278	11	14	liquid	liquid	ADJ
admet-2278	11	15	chromatography	chromatography	NOUN
admet-2278	11	16	;	;	PUNCT
admet-2278	11	17	capillary	capillary	ADJ
admet-2278	11	18	electrophoresis	electrophoresis	NOUN
admet-2278	11	19	introduction	introduction	NOUN
admet-2278	11	20	imidazoline	imidazoline	NOUN
admet-2278	11	21	and	and	CCONJ
admet-2278	11	22	α	α	NOUN
admet-2278	11	23	-	-	ADJ
admet-2278	11	24	adrenergic	adrenergic	ADJ
admet-2278	11	25	receptor	receptor	NOUN
admet-2278	11	26	ligands	ligand	NOUN
admet-2278	11	27	are	be	AUX
admet-2278	11	28	mainly	mainly	ADV
admet-2278	11	29	imidazoline	imidazoline	NOUN
admet-2278	11	30	and	and	CCONJ
admet-2278	11	31	guanidine	guanidine	ADJ
admet-2278	11	32	derivatives	derivative	NOUN
admet-2278	11	33	with	with	ADP
admet-2278	11	34	different	different	ADJ
admet-2278	11	35	pharmacological	pharmacological	ADJ
admet-2278	11	36	effects	effect	NOUN
admet-2278	11	37	and	and	CCONJ
admet-2278	11	38	target	target	NOUN
admet-2278	11	39	tissues	tissue	NOUN
admet-2278	11	40	[	[	X
admet-2278	11	41	1	1	NUM
admet-2278	11	42	]	]	PUNCT
admet-2278	11	43	.	.	PUNCT
admet-2278	12	1	the	the	DET
admet-2278	12	2	pharmacological	pharmacological	ADJ
admet-2278	12	3	effects	effect	NOUN
admet-2278	12	4	of	of	ADP
admet-2278	12	5	these	these	DET
admet-2278	12	6	ligands	ligand	NOUN
admet-2278	12	7	are	be	AUX
admet-2278	12	8	generally	generally	ADV
admet-2278	12	9	the	the	DET
admet-2278	12	10	results	result	NOUN
admet-2278	12	11	of	of	ADP
admet-2278	12	12	interaction	interaction	NOUN
admet-2278	12	13	with	with	ADP
admet-2278	12	14	three	three	NUM
admet-2278	12	15	types	type	NOUN
admet-2278	12	16	of	of	ADP
admet-2278	12	17	imidazoline	imidazoline	NOUN
admet-2278	12	18	receptors	receptor	NOUN
admet-2278	12	19	(	(	PUNCT
admet-2278	12	20	i1	i1	PROPN
admet-2278	12	21	-	-	PUNCT
admet-2278	12	22	ir	ir	PROPN
admet-2278	12	23	,	,	PUNCT
admet-2278	12	24	i2	i2	PROPN
admet-2278	12	25	-	-	PUNCT
admet-2278	12	26	ir	ir	PROPN
admet-2278	12	27	,	,	PUNCT
admet-2278	12	28	and	and	CCONJ
admet-2278	12	29	i3	i3	NOUN
admet-2278	12	30	-	-	PUNCT
admet-2278	12	31	ir	ir	NOUN
admet-2278	12	32	)	)	PUNCT
admet-2278	12	33	and	and	CCONJ
admet-2278	12	34	α2adrenoreceptors	α2adrenoreceptor	NOUN
admet-2278	12	35	(	(	PUNCT
admet-2278	12	36	α2	α2	PROPN
admet-2278	12	37	-	-	PUNCT
admet-2278	12	38	ar	ar	NOUN
admet-2278	12	39	)	)	PUNCT
admet-2278	13	1	[	[	X
admet-2278	13	2	2,3	2,3	NUM
admet-2278	13	3	]	]	PUNCT
admet-2278	13	4	.	.	PUNCT
admet-2278	14	1	clonidine	clonidine	PROPN
admet-2278	14	2	is	be	AUX
admet-2278	14	3	a	a	DET
admet-2278	14	4	well	well	ADV
admet-2278	14	5	-	-	PUNCT
admet-2278	14	6	known	know	VERB
admet-2278	14	7	first	first	ADJ
admet-2278	14	8	-	-	PUNCT
admet-2278	14	9	generation	generation	NOUN
admet-2278	14	10	centrally	centrally	ADV
admet-2278	14	11	acting	act	VERB
admet-2278	14	12	antihypertensive	antihypertensive	ADJ
admet-2278	14	13	drug	drug	NOUN
admet-2278	14	14	that	that	PRON
admet-2278	14	15	lowers	lower	VERB
admet-2278	14	16	blood	blood	NOUN
admet-2278	14	17	pressure	pressure	NOUN
admet-2278	14	18	by	by	ADP
admet-2278	14	19	stimulating	stimulate	VERB
admet-2278	14	20	α2	α2	NOUN
admet-2278	14	21	-	-	PUNCT
admet-2278	14	22	ar	ar	NOUN
admet-2278	14	23	and	and	CCONJ
admet-2278	14	24	i1	i1	PROPN
admet-2278	14	25	-	-	PUNCT
admet-2278	14	26	ir	ir	PROPN
admet-2278	14	27	.	.	PUNCT
admet-2278	15	1	on	on	ADP
admet-2278	15	2	the	the	DET
admet-2278	15	3	other	other	ADJ
admet-2278	15	4	hand	hand	NOUN
admet-2278	15	5	,	,	PUNCT
admet-2278	15	6	moxonidine	moxonidine	NOUN
admet-2278	15	7	and	and	CCONJ
admet-2278	15	8	rilmenidine	rilmenidine	NOUN
admet-2278	15	9	,	,	PUNCT
admet-2278	15	10	which	which	PRON
admet-2278	15	11	belong	belong	VERB
admet-2278	15	12	to	to	ADP
admet-2278	15	13	the	the	DET
admet-2278	15	14	second	second	ADJ
admet-2278	15	15	generation	generation	NOUN
admet-2278	15	16	of	of	ADP
admet-2278	15	17	antihypertensives	antihypertensive	NOUN
admet-2278	15	18	,	,	PUNCT
admet-2278	15	19	act	act	VERB
admet-2278	15	20	mainly	mainly	ADV
admet-2278	15	21	at	at	ADP
admet-2278	15	22	the	the	DET
admet-2278	15	23	i1	i1	PROPN
admet-2278	15	24	-	-	PUNCT
admet-2278	15	25	ir	ir	PROPN
admet-2278	15	26	and	and	CCONJ
admet-2278	15	27	produce	produce	VERB
admet-2278	15	28	https://doi.org/10.5599/admet.2278	https://doi.org/10.5599/admet.2278	PROPN
admet-2278	15	29	https://doi.org/10.5599/admet.2278	https://doi.org/10.5599/admet.2278	PROPN
admet-2278	15	30	http://www.pub.iapchem.org/ojs/index.php/admet/index	http://www.pub.iapchem.org/ojs/index.php/admet/index	NOUN
admet-2278	15	31	mailto:slavica.oljacic@pharmacy.bg.ac.rs	mailto:slavica.oljacic@pharmacy.bg.ac.rs	PROPN
admet-2278	15	32	http://creativecommons.org/licenses/by/4.0/	http://creativecommons.org/licenses/by/4.0/	PROPN
admet-2278	15	33	s.	s.	PROPN
admet-2278	15	34	oljacic	oljacic	VERB
admet-2278	15	35	et	et	PROPN
admet-2278	15	36	al	al	PROPN
admet-2278	15	37	.	.	PROPN
admet-2278	15	38	admet	admet	PROPN
admet-2278	15	39	&	&	CCONJ
admet-2278	15	40	dmpk	dmpk	PROPN
admet-2278	15	41	12(5	12(5	NUM
admet-2278	15	42	)	)	PUNCT
admet-2278	15	43	(	(	PUNCT
admet-2278	15	44	2024	2024	NUM
admet-2278	15	45	)	)	PUNCT
admet-2278	15	46	737	737	NUM
admet-2278	15	47	-	-	SYM
admet-2278	15	48	757	757	NUM
admet-2278	15	49	738	738	NUM
admet-2278	15	50	fewer	few	ADJ
admet-2278	15	51	α2	α2	ADJ
admet-2278	15	52	-	-	PUNCT
admet-2278	15	53	adrenoceptor	adrenoceptor	NOUN
admet-2278	15	54	-	-	PUNCT
admet-2278	15	55	mediated	mediate	VERB
admet-2278	15	56	side	side	NOUN
admet-2278	15	57	effects	effect	NOUN
admet-2278	15	58	[	[	X
admet-2278	15	59	3	3	NUM
admet-2278	15	60	-	-	SYM
admet-2278	15	61	5	5	NUM
admet-2278	15	62	]	]	PUNCT
admet-2278	15	63	.	.	PUNCT
admet-2278	16	1	idazoxan	idazoxan	PROPN
admet-2278	16	2	and	and	CCONJ
admet-2278	16	3	its	its	PRON
admet-2278	16	4	analogs	analog	NOUN
admet-2278	16	5	have	have	VERB
admet-2278	16	6	a	a	DET
admet-2278	16	7	high	high	ADJ
admet-2278	16	8	affinity	affinity	NOUN
admet-2278	16	9	for	for	ADP
admet-2278	16	10	the	the	DET
admet-2278	16	11	i2	i2	PROPN
admet-2278	16	12	-	-	PUNCT
admet-2278	16	13	ir	ir	PROPN
admet-2278	16	14	whose	whose	DET
admet-2278	16	15	involvement	involvement	NOUN
admet-2278	16	16	in	in	ADP
admet-2278	16	17	different	different	ADJ
admet-2278	16	18	psychiatric	psychiatric	ADJ
admet-2278	16	19	disorders	disorder	NOUN
admet-2278	16	20	,	,	PUNCT
admet-2278	16	21	opiate	opiate	ADJ
admet-2278	16	22	withdrawal	withdrawal	NOUN
admet-2278	16	23	,	,	PUNCT
admet-2278	16	24	pain	pain	NOUN
admet-2278	16	25	,	,	PUNCT
admet-2278	16	26	and	and	CCONJ
admet-2278	16	27	parkinson	parkinson	NOUN
admet-2278	16	28	’s	’s	PART
admet-2278	16	29	and	and	CCONJ
admet-2278	16	30	alzheimer	alzheimer	PROPN
admet-2278	16	31	’s	’s	PART
admet-2278	16	32	diseases	disease	NOUN
admet-2278	16	33	has	have	AUX
admet-2278	16	34	been	be	AUX
admet-2278	16	35	investigated	investigate	VERB
admet-2278	16	36	[	[	PUNCT
admet-2278	16	37	6	6	NUM
admet-2278	16	38	-	-	SYM
admet-2278	16	39	8	8	NUM
admet-2278	16	40	]	]	PUNCT
admet-2278	16	41	.	.	PUNCT
admet-2278	17	1	efaroxan	efaroxan	NOUN
admet-2278	17	2	is	be	AUX
admet-2278	17	3	able	able	ADJ
admet-2278	17	4	to	to	PART
admet-2278	17	5	induce	induce	VERB
admet-2278	17	6	insulin	insulin	NOUN
admet-2278	17	7	secretion	secretion	NOUN
admet-2278	17	8	from	from	ADP
admet-2278	17	9	pancreatic	pancreatic	ADJ
admet-2278	17	10	β	β	NOUN
admet-2278	17	11	-	-	NOUN
admet-2278	17	12	cells	cell	NOUN
admet-2278	17	13	by	by	ADP
admet-2278	17	14	activating	activate	VERB
admet-2278	17	15	i3	i3	NOUN
admet-2278	17	16	-	-	PUNCT
admet-2278	17	17	imidazoline	imidazoline	NOUN
admet-2278	17	18	receptors	receptor	NOUN
admet-2278	17	19	(	(	PUNCT
admet-2278	17	20	i3	i3	NOUN
admet-2278	17	21	-	-	PUNCT
admet-2278	17	22	ir	ir	NOUN
admet-2278	17	23	)	)	PUNCT
admet-2278	18	1	[	[	X
admet-2278	18	2	9	9	NUM
admet-2278	18	3	]	]	PUNCT
admet-2278	18	4	.	.	PUNCT
admet-2278	19	1	considering	consider	VERB
admet-2278	19	2	the	the	DET
admet-2278	19	3	chemical	chemical	NOUN
admet-2278	19	4	structures	structure	NOUN
admet-2278	19	5	of	of	ADP
admet-2278	19	6	the	the	DET
admet-2278	19	7	above	above	ADV
admet-2278	19	8	-	-	PUNCT
admet-2278	19	9	mentioned	mention	VERB
admet-2278	19	10	ligands	ligand	NOUN
admet-2278	19	11	,	,	PUNCT
admet-2278	19	12	the	the	DET
admet-2278	19	13	design	design	NOUN
admet-2278	19	14	of	of	ADP
admet-2278	19	15	new	new	ADJ
admet-2278	19	16	compounds	compound	NOUN
admet-2278	19	17	as	as	ADP
admet-2278	19	18	drug	drug	NOUN
admet-2278	19	19	candidates	candidate	NOUN
admet-2278	19	20	for	for	ADP
admet-2278	19	21	the	the	DET
admet-2278	19	22	treatment	treatment	NOUN
admet-2278	19	23	of	of	ADP
admet-2278	19	24	various	various	ADJ
admet-2278	19	25	cardiovascular	cardiovascular	ADJ
admet-2278	19	26	or	or	CCONJ
admet-2278	19	27	neurological	neurological	ADJ
admet-2278	19	28	diseases	disease	NOUN
admet-2278	19	29	will	will	AUX
admet-2278	19	30	be	be	AUX
admet-2278	19	31	directed	direct	VERB
admet-2278	19	32	to	to	ADP
admet-2278	19	33	compounds	compound	NOUN
admet-2278	19	34	that	that	PRON
admet-2278	19	35	contain	contain	VERB
admet-2278	19	36	one	one	NUM
admet-2278	19	37	or	or	CCONJ
admet-2278	19	38	more	more	ADJ
admet-2278	19	39	basic	basic	ADJ
admet-2278	19	40	centers	center	NOUN
admet-2278	19	41	in	in	ADP
admet-2278	19	42	their	their	PRON
admet-2278	19	43	chemical	chemical	NOUN
admet-2278	19	44	scaffold	scaffold	NOUN
admet-2278	19	45	and	and	CCONJ
admet-2278	19	46	have	have	VERB
admet-2278	19	47	the	the	DET
admet-2278	19	48	ability	ability	NOUN
admet-2278	19	49	to	to	PART
admet-2278	19	50	ionize	ionize	VERB
admet-2278	19	51	.	.	PUNCT
admet-2278	20	1	for	for	ADP
admet-2278	20	2	ionizable	ionizable	ADJ
admet-2278	20	3	compounds	compound	NOUN
admet-2278	20	4	,	,	PUNCT
admet-2278	20	5	the	the	DET
admet-2278	20	6	extent	extent	NOUN
admet-2278	20	7	of	of	ADP
admet-2278	20	8	ionization	ionization	NOUN
admet-2278	20	9	together	together	ADV
admet-2278	20	10	with	with	ADP
admet-2278	20	11	lipophilicity	lipophilicity	NOUN
admet-2278	20	12	is	be	AUX
admet-2278	20	13	of	of	ADP
admet-2278	20	14	great	great	ADJ
admet-2278	20	15	importance	importance	NOUN
admet-2278	20	16	for	for	ADP
admet-2278	20	17	their	their	PRON
admet-2278	20	18	pharmacokinetic	pharmacokinetic	ADJ
admet-2278	20	19	properties	property	NOUN
admet-2278	20	20	,	,	PUNCT
admet-2278	20	21	such	such	ADJ
admet-2278	20	22	as	as	ADP
admet-2278	20	23	absorption	absorption	NOUN
admet-2278	20	24	,	,	PUNCT
admet-2278	20	25	distribution	distribution	NOUN
admet-2278	20	26	,	,	PUNCT
admet-2278	20	27	metabolism	metabolism	NOUN
admet-2278	20	28	and	and	CCONJ
admet-2278	20	29	elimination	elimination	NOUN
admet-2278	20	30	(	(	PUNCT
admet-2278	20	31	adme	adme	NOUN
admet-2278	20	32	)	)	PUNCT
admet-2278	20	33	,	,	PUNCT
admet-2278	20	34	as	as	ADV
admet-2278	20	35	well	well	ADV
admet-2278	20	36	as	as	ADP
admet-2278	20	37	for	for	ADP
admet-2278	20	38	the	the	DET
admet-2278	20	39	drug	drug	NOUN
admet-2278	20	40	-	-	PUNCT
admet-2278	20	41	receptor	receptor	NOUN
admet-2278	20	42	interaction	interaction	NOUN
admet-2278	20	43	[	[	X
admet-2278	20	44	10	10	NUM
admet-2278	20	45	]	]	PUNCT
admet-2278	20	46	.	.	PUNCT
admet-2278	21	1	in	in	ADP
admet-2278	21	2	addition	addition	NOUN
admet-2278	21	3	,	,	PUNCT
admet-2278	21	4	the	the	DET
admet-2278	21	5	extent	extent	NOUN
admet-2278	21	6	of	of	ADP
admet-2278	21	7	ionisation	ionisation	NOUN
admet-2278	21	8	of	of	ADP
admet-2278	21	9	compounds	compound	NOUN
admet-2278	21	10	at	at	ADP
admet-2278	21	11	different	different	ADJ
admet-2278	21	12	ph	ph	ADJ
admet-2278	21	13	values	value	NOUN
admet-2278	21	14	has	have	VERB
admet-2278	21	15	a	a	DET
admet-2278	21	16	strong	strong	ADJ
admet-2278	21	17	effect	effect	NOUN
admet-2278	21	18	on	on	ADP
admet-2278	21	19	their	their	PRON
admet-2278	21	20	behaviour	behaviour	NOUN
admet-2278	21	21	in	in	ADP
admet-2278	21	22	different	different	ADJ
admet-2278	21	23	separation	separation	NOUN
admet-2278	21	24	systems	system	NOUN
admet-2278	21	25	,	,	PUNCT
admet-2278	21	26	such	such	ADJ
admet-2278	21	27	as	as	ADP
admet-2278	21	28	chromatographic	chromatographic	ADJ
admet-2278	21	29	and	and	CCONJ
admet-2278	21	30	electrophoretic	electrophoretic	ADJ
admet-2278	21	31	systems	system	NOUN
admet-2278	21	32	.	.	PUNCT
admet-2278	22	1	as	as	ADP
admet-2278	22	2	the	the	DET
admet-2278	22	3	degree	degree	NOUN
admet-2278	22	4	of	of	ADP
admet-2278	22	5	ionisation	ionisation	NOUN
admet-2278	22	6	of	of	ADP
admet-2278	22	7	basic	basic	ADJ
admet-2278	22	8	compounds	compound	NOUN
admet-2278	22	9	increases	increase	NOUN
admet-2278	22	10	,	,	PUNCT
admet-2278	22	11	their	their	PRON
admet-2278	22	12	mobility	mobility	NOUN
admet-2278	22	13	in	in	ADP
admet-2278	22	14	capillary	capillary	ADJ
admet-2278	22	15	electrophoresis	electrophoresis	NOUN
admet-2278	22	16	increases	increase	NOUN
admet-2278	22	17	,	,	PUNCT
admet-2278	22	18	while	while	SCONJ
admet-2278	22	19	the	the	DET
admet-2278	22	20	retention	retention	NOUN
admet-2278	22	21	of	of	ADP
admet-2278	22	22	unionised	unionised	ADJ
admet-2278	22	23	form	form	NOUN
admet-2278	22	24	of	of	ADP
admet-2278	22	25	the	the	DET
admet-2278	22	26	analyte	analyte	NOUN
admet-2278	22	27	can	can	AUX
admet-2278	22	28	be	be	AUX
admet-2278	22	29	10–20	10–20	NUM
admet-2278	22	30	times	time	NOUN
admet-2278	22	31	greater	great	ADJ
admet-2278	22	32	than	than	ADP
admet-2278	22	33	that	that	PRON
admet-2278	22	34	of	of	ADP
admet-2278	22	35	the	the	DET
admet-2278	22	36	corresponding	corresponding	ADJ
admet-2278	22	37	ionised	ionised	ADJ
admet-2278	22	38	form	form	NOUN
admet-2278	22	39	for	for	ADP
admet-2278	22	40	a	a	DET
admet-2278	22	41	given	give	VERB
admet-2278	22	42	mobile	mobile	ADJ
admet-2278	22	43	phase	phase	NOUN
admet-2278	22	44	composition	composition	NOUN
admet-2278	22	45	.	.	PUNCT
admet-2278	23	1	currently	currently	ADV
admet-2278	23	2	,	,	PUNCT
admet-2278	23	3	high	high	ADJ
admet-2278	23	4	-	-	PUNCT
admet-2278	23	5	performance	performance	NOUN
admet-2278	23	6	liquid	liquid	ADJ
admet-2278	23	7	chromatography	chromatography	NOUN
admet-2278	23	8	(	(	PUNCT
admet-2278	23	9	hplc	hplc	PROPN
admet-2278	23	10	)	)	PUNCT
admet-2278	23	11	and	and	CCONJ
admet-2278	23	12	capillary	capillary	ADJ
admet-2278	23	13	electrophoresis	electrophoresis	NOUN
admet-2278	23	14	(	(	PUNCT
admet-2278	23	15	ce	ce	PROPN
admet-2278	23	16	)	)	PUNCT
admet-2278	23	17	are	be	AUX
admet-2278	23	18	very	very	ADV
admet-2278	23	19	useful	useful	ADJ
admet-2278	23	20	techniques	technique	NOUN
admet-2278	23	21	for	for	ADP
admet-2278	23	22	the	the	DET
admet-2278	23	23	rapid	rapid	ADJ
admet-2278	23	24	and	and	CCONJ
admet-2278	23	25	efficient	efficient	ADJ
admet-2278	23	26	separation	separation	NOUN
admet-2278	23	27	as	as	ADV
admet-2278	23	28	well	well	ADV
admet-2278	23	29	as	as	ADP
admet-2278	23	30	examination	examination	NOUN
admet-2278	23	31	of	of	ADP
admet-2278	23	32	the	the	DET
admet-2278	23	33	individual	individual	ADJ
admet-2278	23	34	imidazoline	imidazoline	NOUN
admet-2278	23	35	and	and	CCONJ
admet-2278	23	36	α	α	NOUN
admet-2278	23	37	-	-	ADJ
admet-2278	23	38	adrenergic	adrenergic	ADJ
admet-2278	23	39	receptor	receptor	NOUN
admet-2278	23	40	ligands	ligand	NOUN
admet-2278	23	41	[	[	X
admet-2278	23	42	11	11	NUM
admet-2278	23	43	-	-	SYM
admet-2278	23	44	14	14	NUM
admet-2278	23	45	]	]	PUNCT
admet-2278	23	46	.	.	PUNCT
admet-2278	24	1	therefore	therefore	ADV
admet-2278	24	2	,	,	PUNCT
admet-2278	24	3	accurate	accurate	ADJ
admet-2278	24	4	quantitative	quantitative	ADJ
admet-2278	24	5	relationships	relationship	NOUN
admet-2278	24	6	between	between	ADP
admet-2278	24	7	chromatographic	chromatographic	ADJ
admet-2278	24	8	retention	retention	NOUN
admet-2278	24	9	or	or	CCONJ
admet-2278	24	10	electrophoretic	electrophoretic	ADJ
admet-2278	24	11	mobility	mobility	NOUN
admet-2278	24	12	and	and	CCONJ
admet-2278	24	13	ph	ph	NOUN
admet-2278	24	14	,	,	PUNCT
admet-2278	24	15	which	which	PRON
admet-2278	24	16	can	can	AUX
admet-2278	24	17	be	be	AUX
admet-2278	24	18	established	establish	VERB
admet-2278	24	19	through	through	ADP
admet-2278	24	20	quantitative	quantitative	ADJ
admet-2278	24	21	structure	structure	NOUN
admet-2278	24	22	-	-	PUNCT
admet-2278	24	23	retention	retention	NOUN
admet-2278	24	24	relationships	relationship	NOUN
admet-2278	24	25	(	(	PUNCT
admet-2278	24	26	qsrr	qsrr	NOUN
admet-2278	24	27	)	)	PUNCT
admet-2278	24	28	and	and	CCONJ
admet-2278	24	29	quantitative	quantitative	ADJ
admet-2278	24	30	structure	structure	NOUN
admet-2278	24	31	-	-	PUNCT
admet-2278	24	32	mobility	mobility	NOUN
admet-2278	24	33	relationships	relationship	NOUN
admet-2278	24	34	(	(	PUNCT
admet-2278	24	35	qsmr	qsmr	NOUN
admet-2278	24	36	)	)	PUNCT
admet-2278	24	37	modelling	modelling	NOUN
admet-2278	24	38	can	can	AUX
admet-2278	24	39	be	be	AUX
admet-2278	24	40	very	very	ADV
admet-2278	24	41	useful	useful	ADJ
admet-2278	24	42	for	for	ADP
admet-2278	24	43	predicting	predict	VERB
admet-2278	24	44	the	the	DET
admet-2278	24	45	retention	retention	NOUN
admet-2278	24	46	behaviour	behaviour	NOUN
admet-2278	24	47	and	and	CCONJ
admet-2278	24	48	electrophoretic	electrophoretic	ADJ
admet-2278	24	49	mobility	mobility	NOUN
admet-2278	24	50	of	of	ADP
admet-2278	24	51	the	the	DET
admet-2278	24	52	new	new	ADJ
admet-2278	24	53	compounds	compound	NOUN
admet-2278	24	54	,	,	PUNCT
admet-2278	24	55	understanding	understand	VERB
admet-2278	24	56	the	the	DET
admet-2278	24	57	separation	separation	NOUN
admet-2278	24	58	mechanism	mechanism	NOUN
admet-2278	24	59	in	in	ADP
admet-2278	24	60	a	a	DET
admet-2278	24	61	given	give	VERB
admet-2278	24	62	analytical	analytical	ADJ
admet-2278	24	63	system	system	NOUN
admet-2278	24	64	and	and	CCONJ
admet-2278	24	65	identifying	identify	VERB
admet-2278	24	66	important	important	ADJ
admet-2278	24	67	molecular	molecular	ADJ
admet-2278	24	68	descriptors	descriptor	NOUN
admet-2278	24	69	[	[	X
admet-2278	24	70	15	15	NUM
admet-2278	24	71	]	]	PUNCT
admet-2278	24	72	.	.	PUNCT
admet-2278	25	1	in	in	ADP
admet-2278	25	2	addition	addition	NOUN
admet-2278	25	3	,	,	PUNCT
admet-2278	25	4	the	the	DET
admet-2278	25	5	processes	process	NOUN
admet-2278	25	6	of	of	ADP
admet-2278	25	7	drug	drug	NOUN
admet-2278	25	8	action	action	NOUN
admet-2278	25	9	are	be	AUX
admet-2278	25	10	believed	believe	VERB
admet-2278	25	11	to	to	PART
admet-2278	25	12	share	share	VERB
admet-2278	25	13	many	many	ADJ
admet-2278	25	14	similarities	similarity	NOUN
admet-2278	25	15	with	with	ADP
admet-2278	25	16	the	the	DET
admet-2278	25	17	processes	process	NOUN
admet-2278	25	18	underlying	underlie	VERB
admet-2278	25	19	chromatographic	chromatographic	ADJ
admet-2278	25	20	separations	separation	NOUN
admet-2278	25	21	,	,	PUNCT
admet-2278	25	22	as	as	SCONJ
admet-2278	25	23	the	the	DET
admet-2278	25	24	similar	similar	ADJ
admet-2278	25	25	elementary	elementary	ADJ
admet-2278	25	26	intermolecular	intermolecular	ADJ
admet-2278	25	27	interactions	interaction	NOUN
admet-2278	25	28	are	be	AUX
admet-2278	25	29	important	important	ADJ
admet-2278	25	30	for	for	ADP
admet-2278	25	31	the	the	DET
admet-2278	25	32	behaviour	behaviour	NOUN
admet-2278	25	33	of	of	ADP
admet-2278	25	34	chemical	chemical	NOUN
admet-2278	25	35	compounds	compound	NOUN
admet-2278	25	36	in	in	ADP
admet-2278	25	37	both	both	CCONJ
admet-2278	25	38	biological	biological	ADJ
admet-2278	25	39	and	and	CCONJ
admet-2278	25	40	chromategraphic	chromategraphic	ADJ
admet-2278	25	41	environments	environment	NOUN
admet-2278	26	1	[	[	X
admet-2278	26	2	16	16	NUM
admet-2278	26	3	]	]	PUNCT
admet-2278	26	4	.	.	PUNCT
admet-2278	27	1	therefore	therefore	ADV
admet-2278	27	2	,	,	PUNCT
admet-2278	27	3	the	the	DET
admet-2278	27	4	chromatographic	chromatographic	ADJ
admet-2278	27	5	retention	retention	NOUN
admet-2278	27	6	constant	constant	ADJ
admet-2278	27	7	log	log	NOUN
admet-2278	27	8	kw	kw	INTJ
admet-2278	27	9	has	have	AUX
admet-2278	27	10	been	be	AUX
admet-2278	27	11	successfully	successfully	ADV
admet-2278	27	12	used	use	VERB
admet-2278	27	13	to	to	PART
admet-2278	27	14	evaluate	evaluate	VERB
admet-2278	27	15	the	the	DET
admet-2278	27	16	lipophilicity	lipophilicity	NOUN
admet-2278	27	17	of	of	ADP
admet-2278	27	18	compounds	compound	NOUN
admet-2278	27	19	[	[	X
admet-2278	27	20	17	17	NUM
admet-2278	27	21	]	]	PUNCT
admet-2278	27	22	as	as	ADV
admet-2278	27	23	well	well	ADV
admet-2278	27	24	as	as	ADP
admet-2278	27	25	in	in	ADP
admet-2278	27	26	correlation	correlation	NOUN
admet-2278	27	27	studies	study	NOUN
admet-2278	27	28	with	with	ADP
admet-2278	27	29	various	various	ADJ
admet-2278	27	30	physicochemical	physicochemical	ADJ
admet-2278	27	31	and	and	CCONJ
admet-2278	27	32	biological	biological	ADJ
admet-2278	27	33	properties	property	NOUN
admet-2278	27	34	to	to	PART
admet-2278	27	35	establish	establish	VERB
admet-2278	27	36	appropriate	appropriate	ADJ
admet-2278	27	37	qspr	qspr	NOUN
admet-2278	27	38	(	(	PUNCT
admet-2278	27	39	quantitative	quantitative	ADJ
admet-2278	27	40	structure	structure	NOUN
admet-2278	27	41	-	-	PUNCT
admet-2278	27	42	property	property	NOUN
admet-2278	27	43	relationship	relationship	NOUN
admet-2278	27	44	)	)	PUNCT
admet-2278	27	45	and	and	CCONJ
admet-2278	27	46	qsar	qsar	NOUN
admet-2278	27	47	(	(	PUNCT
admet-2278	27	48	quantitative	quantitative	ADJ
admet-2278	27	49	structure	structure	NOUN
admet-2278	27	50	-	-	PUNCT
admet-2278	27	51	activity	activity	NOUN
admet-2278	27	52	relationship	relationship	NOUN
admet-2278	27	53	)	)	PUNCT
admet-2278	27	54	models	model	NOUN
admet-2278	27	55	[	[	X
admet-2278	27	56	18,19	18,19	NUM
admet-2278	27	57	]	]	X
admet-2278	27	58	.	.	PUNCT
admet-2278	28	1	chromatographic	chromatographic	ADJ
admet-2278	28	2	and	and	CCONJ
admet-2278	28	3	electrophoretic	electrophoretic	ADJ
admet-2278	28	4	data	datum	NOUN
admet-2278	28	5	have	have	AUX
admet-2278	28	6	also	also	ADV
admet-2278	28	7	been	be	AUX
admet-2278	28	8	successfully	successfully	ADV
admet-2278	28	9	used	use	VERB
admet-2278	28	10	for	for	ADP
admet-2278	28	11	the	the	DET
admet-2278	28	12	pharmacological	pharmacological	ADJ
admet-2278	28	13	classification	classification	NOUN
admet-2278	28	14	of	of	ADP
admet-2278	28	15	compounds	compound	NOUN
admet-2278	28	16	and	and	CCONJ
admet-2278	28	17	prediction	prediction	NOUN
admet-2278	28	18	of	of	ADP
admet-2278	28	19	their	their	PRON
admet-2278	28	20	adme	adme	NOUN
admet-2278	28	21	properties	property	NOUN
admet-2278	28	22	[	[	X
admet-2278	28	23	20	20	NUM
admet-2278	28	24	]	]	PUNCT
admet-2278	28	25	.	.	PUNCT
admet-2278	29	1	hplc	hplc	PROPN
admet-2278	29	2	was	be	AUX
admet-2278	29	3	used	use	VERB
admet-2278	29	4	to	to	PART
admet-2278	29	5	determine	determine	VERB
admet-2278	29	6	the	the	DET
admet-2278	29	7	effective	effective	ADJ
admet-2278	29	8	permeability	permeability	NOUN
admet-2278	29	9	of	of	ADP
admet-2278	29	10	40	40	NUM
admet-2278	29	11	compounds	compound	NOUN
admet-2278	29	12	(	(	PUNCT
admet-2278	29	13	18	18	NUM
admet-2278	29	14	irs	irs	NOUN
admet-2278	29	15	/	/	SYM
admet-2278	29	16	aars	aar	NOUN
admet-2278	29	17	ligands	ligand	NOUN
admet-2278	29	18	and	and	CCONJ
admet-2278	29	19	22	22	NUM
admet-2278	29	20	cns	cns	NOUN
admet-2278	29	21	drugs	drug	NOUN
admet-2278	29	22	)	)	PUNCT
admet-2278	29	23	using	use	VERB
admet-2278	29	24	the	the	DET
admet-2278	29	25	parallel	parallel	ADJ
admet-2278	29	26	artificial	artificial	ADJ
admet-2278	29	27	membrane	membrane	NOUN
admet-2278	29	28	permeability	permeability	NOUN
admet-2278	29	29	assay	assay	NOUN
admet-2278	29	30	(	(	PUNCT
admet-2278	29	31	pampa	pampa	PROPN
admet-2278	29	32	)	)	PUNCT
admet-2278	29	33	to	to	PART
admet-2278	29	34	predict	predict	VERB
admet-2278	29	35	brain	brain	NOUN
admet-2278	29	36	penetration	penetration	NOUN
admet-2278	29	37	[	[	X
admet-2278	29	38	21	21	NUM
admet-2278	29	39	]	]	PUNCT
admet-2278	29	40	.	.	PUNCT
admet-2278	30	1	the	the	DET
admet-2278	30	2	electrophoretic	electrophoretic	ADJ
admet-2278	30	3	behaviour	behaviour	NOUN
admet-2278	30	4	of	of	ADP
admet-2278	30	5	a	a	DET
admet-2278	30	6	compound	compound	NOUN
admet-2278	30	7	is	be	AUX
admet-2278	30	8	indicative	indicative	ADJ
admet-2278	30	9	of	of	ADP
admet-2278	30	10	its	its	PRON
admet-2278	30	11	acid	acid	ADJ
admet-2278	30	12	-	-	PUNCT
admet-2278	30	13	base	base	NOUN
admet-2278	30	14	properties	property	NOUN
admet-2278	30	15	.	.	PUNCT
admet-2278	31	1	i.e.	i.e.	X
admet-2278	31	2	,	,	PUNCT
admet-2278	31	3	pka	pka	PROPN
admet-2278	31	4	values	value	NOUN
admet-2278	31	5	and	and	CCONJ
admet-2278	31	6	molecular	molecular	ADJ
admet-2278	31	7	mass	mass	NOUN
admet-2278	31	8	,	,	PUNCT
admet-2278	31	9	since	since	SCONJ
admet-2278	31	10	the	the	DET
admet-2278	31	11	charge	charge	NOUN
admet-2278	31	12	-	-	PUNCT
admet-2278	31	13	to	to	ADP
admet-2278	31	14	-	-	PUNCT
admet-2278	31	15	mass	mass	NOUN
admet-2278	31	16	ratio	ratio	NOUN
admet-2278	31	17	of	of	ADP
admet-2278	31	18	compounds	compound	NOUN
admet-2278	31	19	largely	largely	ADV
admet-2278	31	20	determines	determine	VERB
admet-2278	31	21	their	their	PRON
admet-2278	31	22	electrophoretic	electrophoretic	ADJ
admet-2278	31	23	mobility	mobility	NOUN
admet-2278	31	24	.	.	PUNCT
admet-2278	32	1	thus	thus	ADV
admet-2278	32	2	,	,	PUNCT
admet-2278	32	3	all	all	DET
admet-2278	32	4	these	these	DET
admet-2278	32	5	models	model	NOUN
admet-2278	32	6	,	,	PUNCT
admet-2278	32	7	qspr	qspr	PROPN
admet-2278	32	8	,	,	PUNCT
admet-2278	32	9	qsrr	qsrr	NOUN
admet-2278	32	10	,	,	PUNCT
admet-2278	32	11	qsar	qsar	NOUN
admet-2278	32	12	and	and	CCONJ
admet-2278	32	13	qsmr	qsmr	NOUN
admet-2278	32	14	,	,	PUNCT
admet-2278	32	15	can	can	AUX
admet-2278	32	16	provide	provide	VERB
admet-2278	32	17	us	we	PRON
admet-2278	32	18	with	with	ADP
admet-2278	32	19	valuable	valuable	ADJ
admet-2278	32	20	information	information	NOUN
admet-2278	32	21	about	about	ADP
admet-2278	32	22	the	the	DET
admet-2278	32	23	activity	activity	NOUN
admet-2278	32	24	,	,	PUNCT
admet-2278	32	25	physicochemical	physicochemical	ADJ
admet-2278	32	26	and	and	CCONJ
admet-2278	32	27	adme	adme	NOUN
admet-2278	32	28	properties	property	NOUN
admet-2278	32	29	of	of	ADP
admet-2278	32	30	drug	drug	NOUN
admet-2278	32	31	candidates	candidate	NOUN
admet-2278	32	32	and	and	CCONJ
admet-2278	32	33	could	could	AUX
admet-2278	32	34	,	,	PUNCT
admet-2278	32	35	therefore	therefore	ADV
admet-2278	32	36	,	,	PUNCT
admet-2278	32	37	significantly	significantly	ADV
admet-2278	32	38	reduce	reduce	VERB
admet-2278	32	39	the	the	DET
admet-2278	32	40	number	number	NOUN
admet-2278	32	41	of	of	ADP
admet-2278	32	42	drug	drug	NOUN
admet-2278	32	43	candidates	candidate	NOUN
admet-2278	32	44	synthesised	synthesise	VERB
admet-2278	32	45	and	and	CCONJ
admet-2278	32	46	tested	test	VERB
admet-2278	32	47	in	in	ADP
admet-2278	32	48	the	the	DET
admet-2278	32	49	early	early	ADJ
admet-2278	32	50	phase	phase	NOUN
admet-2278	32	51	of	of	ADP
admet-2278	32	52	drug	drug	NOUN
admet-2278	32	53	discovery	discovery	NOUN
admet-2278	32	54	.	.	PUNCT
admet-2278	33	1	the	the	DET
admet-2278	33	2	main	main	ADJ
admet-2278	33	3	objective	objective	NOUN
admet-2278	33	4	of	of	ADP
admet-2278	33	5	this	this	DET
admet-2278	33	6	work	work	NOUN
admet-2278	33	7	was	be	AUX
admet-2278	33	8	to	to	PART
admet-2278	33	9	investigate	investigate	VERB
admet-2278	33	10	and	and	CCONJ
admet-2278	33	11	compare	compare	VERB
admet-2278	33	12	the	the	DET
admet-2278	33	13	mechanism	mechanism	NOUN
admet-2278	33	14	of	of	ADP
admet-2278	33	15	chromatographic	chromatographic	ADJ
admet-2278	33	16	retention	retention	NOUN
admet-2278	33	17	and	and	CCONJ
admet-2278	33	18	electrophoretic	electrophoretic	ADJ
admet-2278	33	19	mobility	mobility	NOUN
admet-2278	33	20	of	of	ADP
admet-2278	33	21	29	29	NUM
admet-2278	33	22	compounds	compound	NOUN
admet-2278	33	23	with	with	ADP
admet-2278	33	24	main	main	ADJ
admet-2278	33	25	or	or	CCONJ
admet-2278	33	26	side	side	NOUN
admet-2278	33	27	effects	effect	NOUN
admet-2278	33	28	to	to	ADP
admet-2278	33	29	alpha	alpha	NOUN
admet-2278	33	30	adrenergic	adrenergic	NOUN
admet-2278	33	31	/	/	SYM
admet-2278	33	32	imidazoline	imidazoline	NOUN
admet-2278	33	33	receptors	receptor	NOUN
admet-2278	33	34	.	.	PUNCT
admet-2278	34	1	the	the	DET
admet-2278	34	2	study	study	NOUN
admet-2278	34	3	was	be	AUX
admet-2278	34	4	performed	perform	VERB
admet-2278	34	5	at	at	ADP
admet-2278	34	6	different	different	ADJ
admet-2278	34	7	ionization	ionization	NOUN
admet-2278	34	8	levels	level	NOUN
admet-2278	34	9	,	,	PUNCT
admet-2278	34	10	including	include	VERB
admet-2278	34	11	physiological	physiological	ADJ
admet-2278	34	12	ph	ph	VERB
admet-2278	34	13	,	,	PUNCT
admet-2278	34	14	and	and	CCONJ
admet-2278	34	15	applied	apply	VERB
admet-2278	34	16	to	to	PART
admet-2278	34	17	qsrr	qsrr	VERB
admet-2278	34	18	and	and	CCONJ
admet-2278	34	19	qsmr	qsmr	VERB
admet-2278	34	20	models	model	NOUN
admet-2278	34	21	using	use	VERB
admet-2278	34	22	multiple	multiple	ADJ
admet-2278	34	23	linear	linear	ADJ
admet-2278	34	24	regression	regression	NOUN
admet-2278	34	25	(	(	PUNCT
admet-2278	34	26	mlr	mlr	NOUN
admet-2278	34	27	)	)	PUNCT
admet-2278	34	28	and	and	CCONJ
admet-2278	34	29	partial	partial	ADJ
admet-2278	34	30	least	least	ADJ
admet-2278	34	31	squares	square	NOUN
admet-2278	34	32	regression	regression	NOUN
admet-2278	34	33	(	(	PUNCT
admet-2278	34	34	pls	pls	INTJ
admet-2278	34	35	)	)	PUNCT
admet-2278	34	36	.	.	PUNCT
admet-2278	35	1	rigorous	rigorous	ADJ
admet-2278	35	2	validation	validation	NOUN
admet-2278	35	3	criteria	criterion	NOUN
admet-2278	35	4	as	as	SCONJ
admet-2278	35	5	proposed	propose	VERB
admet-2278	35	6	by	by	ADP
admet-2278	35	7	golbraikh	golbraikh	NOUN
admet-2278	35	8	and	and	CCONJ
admet-2278	35	9	tropsha	tropsha	NOUN
admet-2278	35	10	[	[	X
admet-2278	35	11	22,23	22,23	NOUN
admet-2278	35	12	]	]	PUNCT
admet-2278	35	13	and	and	CCONJ
admet-2278	35	14	roy	roy	PROPN
admet-2278	36	1	[	[	X
admet-2278	36	2	24	24	NUM
admet-2278	36	3	]	]	PUNCT
admet-2278	36	4	,	,	PUNCT
admet-2278	36	5	were	be	AUX
admet-2278	36	6	also	also	ADV
admet-2278	36	7	applied	apply	VERB
admet-2278	36	8	as	as	ADP
admet-2278	36	9	an	an	DET
admet-2278	36	10	essential	essential	ADJ
admet-2278	36	11	part	part	NOUN
admet-2278	36	12	of	of	ADP
admet-2278	36	13	qsrr	qsrr	NOUN
admet-2278	36	14	/	/	SYM
admet-2278	36	15	qsmr	qsmr	NOUN
admet-2278	36	16	model	model	NOUN
admet-2278	36	17	development	development	PROPN
admet-2278	36	18	.	.	PUNCT
admet-2278	37	1	the	the	DET
admet-2278	37	2	developed	develop	VERB
admet-2278	37	3	qsrr	qsrr	NOUN
admet-2278	37	4	/	/	SYM
admet-2278	37	5	qsmr	qsmr	NOUN
admet-2278	37	6	models	model	NOUN
admet-2278	37	7	can	can	AUX
admet-2278	37	8	be	be	AUX
admet-2278	37	9	used	use	VERB
admet-2278	37	10	for	for	ADP
admet-2278	37	11	the	the	DET
admet-2278	37	12	fast	fast	ADJ
admet-2278	37	13	and	and	CCONJ
admet-2278	37	14	reliable	reliable	ADJ
admet-2278	37	15	prediction	prediction	NOUN
admet-2278	37	16	of	of	ADP
admet-2278	37	17	the	the	DET
admet-2278	37	18	chromatographic	chromatographic	ADJ
admet-2278	37	19	and	and	CCONJ
admet-2278	37	20	electrophoretic	electrophoretic	ADJ
admet-2278	37	21	behavior	behavior	NOUN
admet-2278	37	22	of	of	ADP
admet-2278	37	23	structurally	structurally	ADV
admet-2278	37	24	related	relate	VERB
admet-2278	37	25	admet	admet	NOUN
admet-2278	37	26	&	&	CCONJ
admet-2278	37	27	dmpk	dmpk	PROPN
admet-2278	37	28	12(5	12(5	NUM
admet-2278	37	29	)	)	PUNCT
admet-2278	37	30	(	(	PUNCT
admet-2278	37	31	2024	2024	NUM
admet-2278	37	32	)	)	PUNCT
admet-2278	37	33	737	737	NUM
admet-2278	37	34	-	-	SYM
admet-2278	37	35	757	757	NUM
admet-2278	37	36	imidazoline	imidazoline	NOUN
admet-2278	37	37	and	and	CCONJ
admet-2278	37	38	alpha	alpha	NOUN
admet-2278	37	39	adrenergic	adrenergic	NOUN
admet-2278	37	40	receptors	receptor	NOUN
admet-2278	37	41	ligands	ligand	NOUN
admet-2278	37	42	doi	doi	NOUN
admet-2278	37	43	:	:	PUNCT
admet-2278	37	44	https://doi.org/10.5599/admet.2278	https://doi.org/10.5599/admet.2278	PROPN
admet-2278	37	45	739	739	NUM
admet-2278	37	46	imidazoline	imidazoline	NOUN
admet-2278	37	47	and	and	CCONJ
admet-2278	37	48	alpha	alpha	NOUN
admet-2278	37	49	adrenergic	adrenergic	ADJ
admet-2278	37	50	receptor	receptor	NOUN
admet-2278	37	51	ligands	ligand	NOUN
admet-2278	37	52	.	.	PUNCT
admet-2278	38	1	in	in	ADP
admet-2278	38	2	addition	addition	NOUN
admet-2278	38	3	,	,	PUNCT
admet-2278	38	4	the	the	DET
admet-2278	38	5	usefulness	usefulness	NOUN
admet-2278	38	6	of	of	ADP
admet-2278	38	7	chromatographic	chromatographic	ADJ
admet-2278	38	8	and	and	CCONJ
admet-2278	38	9	electrophoretic	electrophoretic	ADJ
admet-2278	38	10	data	datum	NOUN
admet-2278	38	11	for	for	ADP
admet-2278	38	12	predicting	predict	VERB
admet-2278	38	13	permeation	permeation	NOUN
admet-2278	38	14	across	across	ADP
admet-2278	38	15	the	the	DET
admet-2278	38	16	blood	blood	NOUN
admet-2278	38	17	-	-	PUNCT
admet-2278	38	18	brain	brain	NOUN
admet-2278	38	19	barrier	barrier	NOUN
admet-2278	38	20	(	(	PUNCT
admet-2278	38	21	bbb	bbb	NOUN
admet-2278	38	22	)	)	PUNCT
admet-2278	38	23	was	be	AUX
admet-2278	38	24	also	also	ADV
admet-2278	38	25	examined	examine	VERB
admet-2278	38	26	.	.	PUNCT
admet-2278	39	1	experimental	experimental	ADJ
admet-2278	39	2	reagents	reagent	NOUN
admet-2278	39	3	and	and	CCONJ
admet-2278	39	4	chemicals	chemical	NOUN
admet-2278	39	5	methanol	methanol	NOUN
admet-2278	39	6	(	(	PUNCT
admet-2278	39	7	hplc	hplc	NOUN
admet-2278	39	8	grade	grade	NOUN
admet-2278	39	9	,	,	PUNCT
admet-2278	39	10	99.8	99.8	NUM
admet-2278	39	11	%	%	NOUN
admet-2278	39	12	)	)	PUNCT
admet-2278	39	13	and	and	CCONJ
admet-2278	39	14	glacial	glacial	ADJ
admet-2278	39	15	acetic	acetic	ADJ
admet-2278	39	16	acid	acid	NOUN
admet-2278	39	17	(	(	PUNCT
admet-2278	39	18	≥99.7	≥99.7	SYM
admet-2278	39	19	%	%	INTJ
admet-2278	39	20	)	)	PUNCT
admet-2278	39	21	were	be	AUX
admet-2278	39	22	purchased	purchase	VERB
admet-2278	39	23	from	from	ADP
admet-2278	39	24	j.t	j.t	PROPN
admet-2278	39	25	.	.	PROPN
admet-2278	39	26	baker	baker	PROPN
admet-2278	39	27	(	(	PUNCT
admet-2278	39	28	deventer	deventer	PROPN
admet-2278	39	29	,	,	PUNCT
admet-2278	39	30	netherlands	netherlands	PROPN
admet-2278	39	31	)	)	PUNCT
admet-2278	39	32	.	.	PUNCT
admet-2278	40	1	ammonium	ammonium	NOUN
admet-2278	40	2	acetate	acetate	NOUN
admet-2278	40	3	,	,	PUNCT
admet-2278	40	4	sodium	sodium	NOUN
admet-2278	40	5	hydroxide	hydroxide	NOUN
admet-2278	40	6	,	,	PUNCT
admet-2278	40	7	sodium	sodium	NOUN
admet-2278	40	8	dihydrogen	dihydrogen	NOUN
admet-2278	40	9	phosphate	phosphate	NOUN
admet-2278	40	10	,	,	PUNCT
admet-2278	40	11	and	and	CCONJ
admet-2278	40	12	disodium	disodium	ADJ
admet-2278	40	13	hydrogen	hydrogen	NOUN
admet-2278	40	14	phosphate	phosphate	NOUN
admet-2278	40	15	of	of	ADP
admet-2278	40	16	acs	acs	PROPN
admet-2278	40	17	reagent	reagent	ADJ
admet-2278	40	18	grade	grade	NOUN
admet-2278	40	19	were	be	AUX
admet-2278	40	20	purchased	purchase	VERB
admet-2278	40	21	from	from	ADP
admet-2278	40	22	merck	merck	PROPN
admet-2278	40	23	(	(	PUNCT
admet-2278	40	24	darmstadt	darmstadt	PROPN
admet-2278	40	25	,	,	PUNCT
admet-2278	40	26	germany	germany	PROPN
admet-2278	40	27	)	)	PUNCT
admet-2278	40	28	.	.	PUNCT
admet-2278	41	1	boric	boric	ADJ
admet-2278	41	2	acid	acid	NOUN
admet-2278	41	3	(	(	PUNCT
admet-2278	41	4	acs	acs	PROPN
admet-2278	41	5	reagent	reagent	NOUN
admet-2278	41	6	,	,	PUNCT
admet-2278	41	7	99.5	99.5	NUM
admet-2278	41	8	to	to	PART
admet-2278	41	9	100.5	100.5	NUM
admet-2278	41	10	%	%	NOUN
admet-2278	41	11	)	)	PUNCT
admet-2278	41	12	was	be	AUX
admet-2278	41	13	purchased	purchase	VERB
admet-2278	41	14	from	from	ADP
admet-2278	41	15	sigma	sigma	PROPN
admet-2278	41	16	-	-	PUNCT
admet-2278	41	17	aldrich	aldrich	PROPN
admet-2278	41	18	(	(	PUNCT
admet-2278	41	19	st	st	PROPN
admet-2278	41	20	.	.	PROPN
admet-2278	41	21	louis	louis	PROPN
admet-2278	41	22	,	,	PUNCT
admet-2278	41	23	mo	mo	PROPN
admet-2278	41	24	,	,	PUNCT
admet-2278	41	25	usa	usa	PROPN
admet-2278	41	26	)	)	PUNCT
admet-2278	41	27	.	.	PUNCT
admet-2278	42	1	ammonium	ammonium	NOUN
admet-2278	42	2	hydroxide	hydroxide	NOUN
admet-2278	42	3	solution	solution	NOUN
admet-2278	42	4	30	30	NUM
admet-2278	42	5	%	%	NOUN
admet-2278	42	6	(	(	PUNCT
admet-2278	42	7	analytical	analytical	ADJ
admet-2278	42	8	grade	grade	NOUN
admet-2278	42	9	)	)	PUNCT
admet-2278	42	10	was	be	AUX
admet-2278	42	11	purchased	purchase	VERB
admet-2278	42	12	from	from	ADP
admet-2278	42	13	carlo	carlo	PROPN
admet-2278	42	14	erba	erba	PROPN
admet-2278	42	15	(	(	PUNCT
admet-2278	42	16	milan	milan	PROPN
admet-2278	42	17	,	,	PUNCT
admet-2278	42	18	italy	italy	PROPN
admet-2278	42	19	)	)	PUNCT
admet-2278	42	20	.	.	PUNCT
admet-2278	43	1	aqueous	aqueous	ADJ
admet-2278	43	2	solutions	solution	NOUN
admet-2278	43	3	of	of	ADP
admet-2278	43	4	background	background	NOUN
admet-2278	43	5	electrolytes	electrolyte	NOUN
admet-2278	43	6	and	and	CCONJ
admet-2278	43	7	buffers	buffer	NOUN
admet-2278	43	8	for	for	ADP
admet-2278	43	9	the	the	DET
admet-2278	43	10	preparation	preparation	NOUN
admet-2278	43	11	of	of	ADP
admet-2278	43	12	mobile	mobile	ADJ
admet-2278	43	13	phases	phase	NOUN
admet-2278	43	14	were	be	AUX
admet-2278	43	15	prepared	prepare	VERB
admet-2278	43	16	with	with	ADP
admet-2278	43	17	water	water	NOUN
admet-2278	43	18	(	(	PUNCT
admet-2278	43	19	hplc	hplc	NOUN
admet-2278	43	20	grade	grade	NOUN
admet-2278	43	21	)	)	PUNCT
admet-2278	43	22	.	.	PUNCT
admet-2278	44	1	clonidine	clonidine	PROPN
admet-2278	44	2	hydrochloride	hydrochloride	NOUN
admet-2278	44	3	(	(	PUNCT
admet-2278	44	4	≥98	≥98	NUM
admet-2278	44	5	%	%	NOUN
admet-2278	44	6	)	)	PUNCT
admet-2278	44	7	,	,	PUNCT
admet-2278	44	8	moxonidine	moxonidine	PROPN
admet-2278	44	9	hydrochloride	hydrochloride	NOUN
admet-2278	44	10	(	(	PUNCT
admet-2278	44	11	≥98	≥98	NUM
admet-2278	44	12	%	%	NOUN
admet-2278	44	13	)	)	PUNCT
admet-2278	44	14	,	,	PUNCT
admet-2278	44	15	guanfacine	guanfacine	NOUN
admet-2278	44	16	hydrochloride	hydrochloride	NOUN
admet-2278	44	17	(	(	PUNCT
admet-2278	44	18	≥98	≥98	NUM
admet-2278	44	19	%	%	NOUN
admet-2278	44	20	)	)	PUNCT
admet-2278	44	21	,	,	PUNCT
admet-2278	44	22	brimonidine	brimonidine	NOUN
admet-2278	44	23	hydrochloride	hydrochloride	NOUN
admet-2278	44	24	(	(	PUNCT
admet-2278	44	25	≥98	≥98	NUM
admet-2278	44	26	%	%	NOUN
admet-2278	44	27	)	)	PUNCT
admet-2278	44	28	,	,	PUNCT
admet-2278	44	29	efaroxan	efaroxan	NOUN
admet-2278	44	30	hydrochloride	hydrochloride	NOUN
admet-2278	44	31	(	(	PUNCT
admet-2278	44	32	≥98	≥98	NUM
admet-2278	44	33	%	%	NOUN
admet-2278	44	34	)	)	PUNCT
admet-2278	44	35	,	,	PUNCT
admet-2278	44	36	idazoxan	idazoxan	VERB
admet-2278	44	37	hydrochloride	hydrochloride	NOUN
admet-2278	44	38	(	(	PUNCT
admet-2278	44	39	≥98	≥98	NUM
admet-2278	44	40	%	%	NOUN
admet-2278	44	41	)	)	PUNCT
admet-2278	44	42	,	,	PUNCT
admet-2278	44	43	rilmenidine	rilmenidine	NOUN
admet-2278	44	44	hemifumarate	hemifumarate	NOUN
admet-2278	44	45	(	(	PUNCT
admet-2278	44	46	≥98	≥98	NUM
admet-2278	44	47	%	%	NOUN
admet-2278	44	48	)	)	PUNCT
admet-2278	44	49	,	,	PUNCT
admet-2278	44	50	harmane	harmane	NOUN
admet-2278	44	51	(	(	PUNCT
admet-2278	44	52	98	98	NUM
admet-2278	44	53	%	%	NOUN
admet-2278	44	54	)	)	PUNCT
admet-2278	44	55	,	,	PUNCT
admet-2278	44	56	harmine	harmine	NOUN
admet-2278	44	57	hydrochloride	hydrochloride	NOUN
admet-2278	44	58	(	(	PUNCT
admet-2278	44	59	≥98	≥98	PROPN
admet-2278	44	60	%	%	NOUN
admet-2278	44	61	)	)	PUNCT
admet-2278	44	62	,	,	PUNCT
admet-2278	44	63	tizanidine	tizanidine	NOUN
admet-2278	44	64	hydrochloride	hydrochloride	NOUN
admet-2278	44	65	(	(	PUNCT
admet-2278	44	66	≥98	≥98	NUM
admet-2278	44	67	%	%	NOUN
admet-2278	44	68	)	)	PUNCT
admet-2278	44	69	,	,	PUNCT
admet-2278	44	70	triamterene	triamterene	NOUN
admet-2278	44	71	(	(	PUNCT
admet-2278	44	72	≥99	≥99	NUM
admet-2278	44	73	%	%	NOUN
admet-2278	44	74	)	)	PUNCT
admet-2278	44	75	,	,	PUNCT
admet-2278	44	76	clopamide	clopamide	PROPN
admet-2278	44	77	(	(	PUNCT
admet-2278	44	78	≥98	≥98	PROPN
admet-2278	44	79	%	%	NOUN
admet-2278	44	80	)	)	PUNCT
admet-2278	44	81	,	,	PUNCT
admet-2278	44	82	indapamide	indapamide	ADV
admet-2278	44	83	(	(	PUNCT
admet-2278	44	84	≥99	≥99	NUM
admet-2278	44	85	%	%	NOUN
admet-2278	44	86	)	)	PUNCT
admet-2278	44	87	,	,	PUNCT
admet-2278	44	88	naphazoline	naphazoline	PROPN
admet-2278	44	89	hydrochloride	hydrochloride	NOUN
admet-2278	44	90	(	(	PUNCT
admet-2278	44	91	≥98	≥98	NUM
admet-2278	44	92	%	%	NOUN
admet-2278	44	93	)	)	PUNCT
admet-2278	44	94	,	,	PUNCT
admet-2278	44	95	xylometazoline	xylometazoline	PROPN
admet-2278	44	96	hydrochloride	hydrochloride	NOUN
admet-2278	44	97	(	(	PUNCT
admet-2278	44	98	≥99	≥99	NUM
admet-2278	44	99	%	%	NOUN
admet-2278	44	100	)	)	PUNCT
admet-2278	44	101	,	,	PUNCT
admet-2278	44	102	tetrahydrozoline	tetrahydrozoline	NOUN
admet-2278	44	103	hydrochloride	hydrochloride	NOUN
admet-2278	44	104	(	(	PUNCT
admet-2278	44	105	≥98	≥98	NUM
admet-2278	44	106	%	%	NOUN
admet-2278	44	107	)	)	PUNCT
admet-2278	44	108	,	,	PUNCT
admet-2278	44	109	oxymetazoline	oxymetazoline	NOUN
admet-2278	44	110	hydrochloride	hydrochloride	NOUN
admet-2278	44	111	(	(	PUNCT
admet-2278	44	112	≥99	≥99	NUM
admet-2278	44	113	%	%	NOUN
admet-2278	44	114	)	)	PUNCT
admet-2278	44	115	,	,	PUNCT
admet-2278	44	116	ephedrine	ephedrine	NOUN
admet-2278	44	117	hydrochloride	hydrochloride	NOUN
admet-2278	44	118	(	(	PUNCT
admet-2278	44	119	99	99	NUM
admet-2278	44	120	%	%	NOUN
admet-2278	44	121	)	)	PUNCT
admet-2278	44	122	,	,	PUNCT
admet-2278	44	123	pseudoephedrine	pseudoephedrine	NOUN
admet-2278	44	124	hydrochloride	hydrochloride	NOUN
admet-2278	44	125	(	(	PUNCT
admet-2278	44	126	99	99	NUM
admet-2278	44	127	%	%	NOUN
admet-2278	44	128	)	)	PUNCT
admet-2278	44	129	,	,	PUNCT
admet-2278	44	130	maprotiline	maprotiline	VERB
admet-2278	44	131	hydrochloride	hydrochloride	NOUN
admet-2278	44	132	(	(	PUNCT
admet-2278	44	133	>	>	X
admet-2278	44	134	99	99	NUM
admet-2278	44	135	%	%	NOUN
admet-2278	44	136	)	)	PUNCT
admet-2278	44	137	,	,	PUNCT
admet-2278	44	138	tamsulosin	tamsulosin	NOUN
admet-2278	44	139	hydrochloride	hydrochloride	NOUN
admet-2278	44	140	(	(	PUNCT
admet-2278	44	141	≥98	≥98	NUM
admet-2278	44	142	%	%	NOUN
admet-2278	44	143	)	)	PUNCT
admet-2278	44	144	,	,	PUNCT
admet-2278	44	145	mianserin	mianserin	NOUN
admet-2278	44	146	hydrochloride	hydrochloride	NOUN
admet-2278	44	147	(	(	PUNCT
admet-2278	44	148	≥98	≥98	NUM
admet-2278	44	149	%	%	NOUN
admet-2278	44	150	)	)	PUNCT
admet-2278	44	151	,	,	PUNCT
admet-2278	44	152	carvedilol	carvedilol	X
admet-2278	44	153	(	(	PUNCT
admet-2278	44	154	≥98	≥98	NUM
admet-2278	44	155	%	%	NOUN
admet-2278	44	156	)	)	PUNCT
admet-2278	44	157	,	,	PUNCT
admet-2278	44	158	clozapine	clozapine	NOUN
admet-2278	44	159	(	(	PUNCT
admet-2278	44	160	≥98	≥98	NUM
admet-2278	44	161	%	%	NOUN
admet-2278	44	162	)	)	PUNCT
admet-2278	44	163	and	and	CCONJ
admet-2278	44	164	olanzapine	olanzapine	NOUN
admet-2278	44	165	(	(	PUNCT
admet-2278	44	166	≥98	≥98	NUM
admet-2278	44	167	%	%	NOUN
admet-2278	44	168	)	)	PUNCT
admet-2278	44	169	were	be	AUX
admet-2278	44	170	purchased	purchase	VERB
admet-2278	44	171	from	from	ADP
admet-2278	44	172	sigma	sigma	PROPN
admet-2278	44	173	–	–	PUNCT
admet-2278	44	174	aldrich	aldrich	PROPN
admet-2278	44	175	(	(	PUNCT
admet-2278	44	176	st	st	PROPN
admet-2278	44	177	.	.	PROPN
admet-2278	44	178	louis	louis	PROPN
admet-2278	44	179	,	,	PUNCT
admet-2278	44	180	mo	mo	PROPN
admet-2278	44	181	,	,	PUNCT
admet-2278	44	182	usa	usa	PROPN
admet-2278	44	183	)	)	PUNCT
admet-2278	44	184	.	.	PUNCT
admet-2278	45	1	tramazoline	tramazoline	NOUN
admet-2278	45	2	hydrochloride	hydrochloride	NOUN
admet-2278	45	3	(	(	PUNCT
admet-2278	45	4	≥98	≥98	NUM
admet-2278	45	5	%	%	NOUN
admet-2278	45	6	)	)	PUNCT
admet-2278	45	7	and	and	CCONJ
admet-2278	45	8	doxazosin	doxazosin	VERB
admet-2278	45	9	mesilat	mesilat	NOUN
admet-2278	45	10	(	(	PUNCT
admet-2278	45	11	≥98	≥98	NUM
admet-2278	45	12	%	%	NOUN
admet-2278	45	13	)	)	PUNCT
admet-2278	45	14	were	be	AUX
admet-2278	45	15	obtained	obtain	VERB
admet-2278	45	16	from	from	ADP
admet-2278	45	17	zdravlje	zdravlje	NOUN
admet-2278	45	18	-	-	PUNCT
admet-2278	45	19	actavis	actavis	PROPN
admet-2278	45	20	(	(	PUNCT
admet-2278	45	21	leskovac	leskovac	NOUN
admet-2278	45	22	,	,	PUNCT
admet-2278	45	23	serbia	serbia	PROPN
admet-2278	45	24	)	)	PUNCT
admet-2278	45	25	.	.	PUNCT
admet-2278	46	1	amiloride	amiloride	ADJ
admet-2278	46	2	hydrochloride	hydrochloride	NOUN
admet-2278	46	3	(	(	PUNCT
admet-2278	46	4	≥98	≥98	NUM
admet-2278	46	5	%	%	NOUN
admet-2278	46	6	)	)	PUNCT
admet-2278	46	7	was	be	AUX
admet-2278	46	8	kindly	kindly	ADV
admet-2278	46	9	donated	donate	VERB
admet-2278	46	10	by	by	ADP
admet-2278	46	11	galenika	galenika	PROPN
admet-2278	46	12	(	(	PUNCT
admet-2278	46	13	belgrade	belgrade	PROPN
admet-2278	46	14	,	,	PUNCT
admet-2278	46	15	serbia	serbia	PROPN
admet-2278	46	16	)	)	PUNCT
admet-2278	46	17	.	.	PUNCT
admet-2278	47	1	phenilephrine	phenilephrine	ADJ
admet-2278	47	2	hydrochloride	hydrochloride	NOUN
admet-2278	47	3	(	(	PUNCT
admet-2278	47	4	98	98	NUM
admet-2278	47	5	%	%	NOUN
admet-2278	47	6	)	)	PUNCT
admet-2278	47	7	was	be	AUX
admet-2278	47	8	obtained	obtain	VERB
admet-2278	47	9	from	from	ADP
admet-2278	47	10	ivančić	ivančić	NOUN
admet-2278	47	11	i	i	PRON
admet-2278	47	12	sinovi	sinovi	VERB
admet-2278	47	13	(	(	PUNCT
admet-2278	47	14	belgrade	belgrade	PROPN
admet-2278	47	15	,	,	PUNCT
admet-2278	47	16	serbia	serbia	PROPN
admet-2278	47	17	)	)	PUNCT
admet-2278	47	18	.	.	PUNCT
admet-2278	48	1	hplc	hplc	NOUN
admet-2278	48	2	conditions	condition	NOUN
admet-2278	48	3	solutions	solution	NOUN
admet-2278	48	4	for	for	ADP
admet-2278	48	5	hplc	hplc	NOUN
admet-2278	48	6	analysis	analysis	NOUN
admet-2278	48	7	the	the	DET
admet-2278	48	8	working	work	VERB
admet-2278	48	9	solutions	solution	NOUN
admet-2278	48	10	were	be	AUX
admet-2278	48	11	prepared	prepare	VERB
admet-2278	48	12	by	by	ADP
admet-2278	48	13	dissolving	dissolve	VERB
admet-2278	48	14	the	the	DET
admet-2278	48	15	substances	substance	NOUN
admet-2278	48	16	in	in	ADP
admet-2278	48	17	methanol	methanol	NOUN
admet-2278	48	18	to	to	PART
admet-2278	48	19	obtain	obtain	VERB
admet-2278	48	20	a	a	DET
admet-2278	48	21	concentration	concentration	NOUN
admet-2278	48	22	of	of	ADP
admet-2278	48	23	0.7	0.7	NUM
admet-2278	48	24	mg	mg	NOUN
admet-2278	48	25	/	/	SYM
admet-2278	48	26	ml	ml	X
admet-2278	48	27	for	for	ADP
admet-2278	48	28	rilmenidine	rilmenidine	NOUN
admet-2278	48	29	and	and	CCONJ
admet-2278	48	30	0.1	0.1	NUM
admet-2278	48	31	mg	mg	NUM
admet-2278	48	32	/	/	SYM
admet-2278	48	33	ml	ml	NOUN
admet-2278	48	34	for	for	ADP
admet-2278	48	35	the	the	DET
admet-2278	48	36	other	other	ADJ
admet-2278	48	37	compounds	compound	NOUN
admet-2278	48	38	.	.	PUNCT
admet-2278	49	1	hplc	hplc	NOUN
admet-2278	49	2	equipment	equipment	NOUN
admet-2278	49	3	and	and	CCONJ
admet-2278	49	4	working	working	NOUN
admet-2278	49	5	conditions	condition	NOUN
admet-2278	49	6	the	the	DET
admet-2278	49	7	hplc	hplc	NOUN
admet-2278	49	8	working	working	NOUN
admet-2278	49	9	conditions	condition	NOUN
admet-2278	49	10	are	be	AUX
admet-2278	49	11	described	describe	VERB
admet-2278	49	12	in	in	ADP
admet-2278	49	13	our	our	PRON
admet-2278	49	14	previously	previously	ADV
admet-2278	49	15	published	publish	VERB
admet-2278	49	16	work	work	NOUN
admet-2278	49	17	[	[	X
admet-2278	49	18	20	20	NUM
admet-2278	49	19	]	]	PUNCT
admet-2278	49	20	.	.	PUNCT
admet-2278	50	1	hplc	hplc	NOUN
admet-2278	50	2	analysis	analysis	NOUN
admet-2278	50	3	was	be	AUX
admet-2278	50	4	performed	perform	VERB
admet-2278	50	5	using	use	VERB
admet-2278	50	6	an	an	DET
admet-2278	50	7	agilent	agilent	PROPN
admet-2278	50	8	technologies	technology	NOUN
admet-2278	50	9	1200	1200	NUM
admet-2278	50	10	(	(	PUNCT
admet-2278	50	11	wilmington	wilmington	PROPN
admet-2278	50	12	,	,	PUNCT
admet-2278	50	13	de	de	PROPN
admet-2278	50	14	,	,	PUNCT
admet-2278	50	15	usa	usa	NOUN
admet-2278	50	16	)	)	PUNCT
admet-2278	50	17	liquid	liquid	ADJ
admet-2278	50	18	chromatography	chromatography	NOUN
admet-2278	50	19	system	system	NOUN
admet-2278	50	20	equipped	equip	VERB
admet-2278	50	21	with	with	ADP
admet-2278	50	22	an	an	DET
admet-2278	50	23	online	online	ADJ
admet-2278	50	24	degasser	degasser	NOUN
admet-2278	50	25	,	,	PUNCT
admet-2278	50	26	a	a	DET
admet-2278	50	27	binary	binary	ADJ
admet-2278	50	28	pump	pump	NOUN
admet-2278	50	29	,	,	PUNCT
admet-2278	50	30	a	a	DET
admet-2278	50	31	column	column	NOUN
admet-2278	50	32	oven	oven	NOUN
admet-2278	50	33	and	and	CCONJ
admet-2278	50	34	a	a	DET
admet-2278	50	35	photodiode	photodiode	NOUN
admet-2278	50	36	array	array	NOUN
admet-2278	50	37	detector	detector	NOUN
admet-2278	50	38	.	.	PUNCT
admet-2278	51	1	the	the	DET
admet-2278	51	2	data	datum	NOUN
admet-2278	51	3	was	be	AUX
admet-2278	51	4	recorded	record	VERB
admet-2278	51	5	and	and	CCONJ
admet-2278	51	6	analyzed	analyze	VERB
admet-2278	51	7	using	use	VERB
admet-2278	51	8	agilent	agilent	PROPN
admet-2278	51	9	's	's	PART
admet-2278	51	10	chemstation	chemstation	NOUN
admet-2278	51	11	software	software	NOUN
admet-2278	51	12	(	(	PUNCT
admet-2278	51	13	chemstation	chemstation	NOUN
admet-2278	51	14	for	for	ADP
admet-2278	51	15	lc	lc	PROPN
admet-2278	51	16	3d	3d	PROPN
admet-2278	51	17	system	system	NOUN
admet-2278	51	18	(	(	PUNCT
admet-2278	51	19	rev	rev	PROPN
admet-2278	51	20	.	.	PROPN
admet-2278	51	21	b.	b.	PROPN
admet-2278	51	22	02	02	NUM
admet-2278	51	23	.	.	PROPN
admet-2278	51	24	01	01	NUM
admet-2278	51	25	-	-	PUNCT
admet-2278	51	26	sr2	sr2	NOUN
admet-2278	52	1	[	[	X
admet-2278	52	2	260	260	NUM
admet-2278	52	3	]	]	NUM
admet-2278	52	4	)	)	PUNCT
admet-2278	52	5	.	.	PUNCT
admet-2278	53	1	separation	separation	NOUN
admet-2278	53	2	was	be	AUX
admet-2278	53	3	performed	perform	VERB
admet-2278	53	4	on	on	ADP
admet-2278	53	5	the	the	DET
admet-2278	53	6	xterra	xterra	PROPN
admet-2278	53	7	®	®	PROPN
admet-2278	53	8	rp18	rp18	PROPN
admet-2278	53	9	column	column	NOUN
admet-2278	53	10	,	,	PUNCT
admet-2278	53	11	4.6×100	4.6×100	NUM
admet-2278	53	12	mm	mm	NOUN
admet-2278	53	13	,	,	PUNCT
admet-2278	53	14	particle	particle	NOUN
admet-2278	53	15	size	size	NOUN
admet-2278	53	16	3.5	3.5	NUM
admet-2278	53	17	µm	µm	NOUN
admet-2278	53	18	(	(	PUNCT
admet-2278	53	19	waters	water	NOUN
admet-2278	53	20	corporation	corporation	NOUN
admet-2278	53	21	,	,	PUNCT
admet-2278	53	22	milford	milford	PROPN
admet-2278	53	23	,	,	PUNCT
admet-2278	53	24	ma	ma	PROPN
admet-2278	53	25	,	,	PUNCT
admet-2278	53	26	usa	usa	PROPN
admet-2278	53	27	)	)	PUNCT
admet-2278	53	28	using	use	VERB
admet-2278	53	29	three	three	NUM
admet-2278	53	30	different	different	ADJ
admet-2278	53	31	constant	constant	ADJ
admet-2278	53	32	ionic	ionic	ADJ
admet-2278	53	33	strength	strength	NOUN
admet-2278	53	34	buffer	buffer	NOUN
admet-2278	53	35	solutions	solution	NOUN
admet-2278	53	36	(	(	PUNCT
admet-2278	53	37	i	i	NOUN
admet-2278	53	38	=	=	NOUN
admet-2278	53	39	25	25	NUM
admet-2278	53	40	mmol	mmol	NOUN
admet-2278	53	41	/	/	SYM
admet-2278	53	42	l	l	NOUN
admet-2278	53	43	)	)	PUNCT
admet-2278	53	44	prepared	prepare	VERB
admet-2278	53	45	at	at	ADP
admet-2278	53	46	ph	ph	ADJ
admet-2278	53	47	values	value	NOUN
admet-2278	53	48	4.4	4.4	NUM
admet-2278	53	49	,	,	PUNCT
admet-2278	53	50	7.4	7.4	NUM
admet-2278	53	51	and	and	CCONJ
admet-2278	53	52	9.1	9.1	NUM
admet-2278	53	53	,	,	PUNCT
admet-2278	53	54	as	as	ADP
admet-2278	53	55	the	the	DET
admet-2278	53	56	aqueous	aqueous	ADJ
admet-2278	53	57	component	component	NOUN
admet-2278	53	58	in	in	ADP
admet-2278	53	59	the	the	DET
admet-2278	53	60	mobile	mobile	ADJ
admet-2278	53	61	phase	phase	NOUN
admet-2278	53	62	while	while	SCONJ
admet-2278	53	63	methanol	methanol	NOUN
admet-2278	53	64	added	add	VERB
admet-2278	53	65	as	as	ADP
admet-2278	53	66	an	an	DET
admet-2278	53	67	organic	organic	ADJ
admet-2278	53	68	modifier	modifier	NOUN
admet-2278	53	69	.	.	PUNCT
admet-2278	54	1	all	all	DET
admet-2278	54	2	measurements	measurement	NOUN
admet-2278	54	3	were	be	AUX
admet-2278	54	4	performed	perform	VERB
admet-2278	54	5	at	at	ADP
admet-2278	54	6	25	25	NUM
admet-2278	54	7	°	°	NOUN
admet-2278	54	8	c	c	NOUN
admet-2278	54	9	with	with	ADP
admet-2278	54	10	a	a	DET
admet-2278	54	11	constant	constant	ADJ
admet-2278	54	12	flow	flow	NOUN
admet-2278	54	13	rate	rate	NOUN
admet-2278	54	14	of	of	ADP
admet-2278	54	15	0.8	0.8	NUM
admet-2278	54	16	ml	ml	NOUN
admet-2278	54	17	min-1	min-1	NUM
admet-2278	54	18	and	and	CCONJ
admet-2278	54	19	uv	uv	NOUN
admet-2278	54	20	detection	detection	NOUN
admet-2278	54	21	in	in	ADP
admet-2278	54	22	the	the	DET
admet-2278	54	23	range	range	NOUN
admet-2278	54	24	of	of	ADP
admet-2278	54	25	200	200	NUM
admet-2278	54	26	-	-	SYM
admet-2278	54	27	280	280	NUM
admet-2278	54	28	nm	nm	NOUN
admet-2278	54	29	.	.	PUNCT
admet-2278	55	1	the	the	DET
admet-2278	55	2	injection	injection	NOUN
admet-2278	55	3	volume	volume	NOUN
admet-2278	55	4	was	be	AUX
admet-2278	55	5	20	20	NUM
admet-2278	55	6	μl	μl	NOUN
admet-2278	55	7	.	.	PUNCT
admet-2278	56	1	retention	retention	NOUN
admet-2278	56	2	times	time	NOUN
admet-2278	56	3	were	be	AUX
admet-2278	56	4	determined	determine	VERB
admet-2278	56	5	in	in	ADP
admet-2278	56	6	the	the	DET
admet-2278	56	7	isocratic	isocratic	ADJ
admet-2278	56	8	elution	elution	NOUN
admet-2278	56	9	mode	mode	NOUN
admet-2278	56	10	using	use	VERB
admet-2278	56	11	at	at	ADV
admet-2278	56	12	least	least	ADV
admet-2278	56	13	six	six	NUM
admet-2278	56	14	mobile	mobile	ADJ
admet-2278	56	15	phases	phase	NOUN
admet-2278	56	16	of	of	ADP
admet-2278	56	17	methanol	methanol	NOUN
admet-2278	56	18	/	/	SYM
admet-2278	56	19	buffer	buffer	NOUN
admet-2278	56	20	(	(	PUNCT
admet-2278	56	21	ph	ph	NOUN
admet-2278	56	22	4.4	4.4	NUM
admet-2278	56	23	,	,	PUNCT
admet-2278	56	24	7.4	7.4	NUM
admet-2278	56	25	or	or	CCONJ
admet-2278	56	26	9.1	9.1	NUM
admet-2278	56	27	)	)	PUNCT
admet-2278	56	28	with	with	ADP
admet-2278	56	29	a	a	DET
admet-2278	56	30	methanol	methanol	NOUN
admet-2278	56	31	concentration	concentration	NOUN
admet-2278	56	32	of	of	ADP
admet-2278	56	33	75	75	NUM
admet-2278	56	34	-	-	SYM
admet-2278	56	35	2	2	NUM
admet-2278	56	36	%	%	NOUN
admet-2278	56	37	depending	depend	VERB
admet-2278	56	38	on	on	ADP
admet-2278	56	39	the	the	DET
admet-2278	56	40	retention	retention	NOUN
admet-2278	56	41	properties	property	NOUN
admet-2278	56	42	of	of	ADP
admet-2278	56	43	compounds	compound	NOUN
admet-2278	56	44	.	.	PUNCT
admet-2278	57	1	the	the	DET
admet-2278	57	2	retention	retention	NOUN
admet-2278	57	3	factor	factor	NOUN
admet-2278	57	4	k	k	PROPN
admet-2278	57	5	was	be	AUX
admet-2278	57	6	calculated	calculate	VERB
admet-2278	57	7	for	for	ADP
admet-2278	57	8	each	each	DET
admet-2278	57	9	mobile	mobile	ADJ
admet-2278	57	10	phase	phase	NOUN
admet-2278	57	11	composition	composition	NOUN
admet-2278	57	12	according	accord	VERB
admet-2278	57	13	to	to	ADP
admet-2278	57	14	equation	equation	NOUN
admet-2278	57	15	(	(	PUNCT
admet-2278	57	16	1	1	NUM
admet-2278	57	17	):	):	PUNCT
admet-2278	57	18	k	k	X
admet-2278	57	19	=	=	PUNCT
admet-2278	57	20	(	(	PUNCT
admet-2278	57	21	tr	tr	PUNCT
admet-2278	57	22	t0)/t0	t0)/t0	NOUN
admet-2278	57	23	(	(	PUNCT
admet-2278	57	24	1	1	NUM
admet-2278	57	25	)	)	PUNCT
admet-2278	57	26	https://doi.org/10.5599/admet.2278	https://doi.org/10.5599/admet.2278	NOUN
admet-2278	58	1	https://www.sigmaaldrich.com/rs/en/product/sigma/t4143	https://www.sigmaaldrich.com/rs/en/product/sigma/t4143	PROPN
admet-2278	58	2	s.	s.	PROPN
admet-2278	58	3	oljacic	oljacic	VERB
admet-2278	58	4	et	et	PROPN
admet-2278	58	5	al	al	PROPN
admet-2278	58	6	.	.	PROPN
admet-2278	58	7	admet	admet	PROPN
admet-2278	58	8	&	&	CCONJ
admet-2278	58	9	dmpk	dmpk	PROPN
admet-2278	58	10	12(5	12(5	NUM
admet-2278	58	11	)	)	PUNCT
admet-2278	58	12	(	(	PUNCT
admet-2278	58	13	2024	2024	NUM
admet-2278	58	14	)	)	PUNCT
admet-2278	58	15	737	737	NUM
admet-2278	58	16	-	-	SYM
admet-2278	58	17	757	757	NUM
admet-2278	58	18	740	740	NUM
admet-2278	58	19	where	where	SCONJ
admet-2278	58	20	tr	tr	VERB
admet-2278	58	21	is	be	AUX
admet-2278	58	22	the	the	DET
admet-2278	58	23	retention	retention	NOUN
admet-2278	58	24	time	time	NOUN
admet-2278	58	25	of	of	ADP
admet-2278	58	26	the	the	DET
admet-2278	58	27	tested	test	VERB
admet-2278	58	28	compound	compound	NOUN
admet-2278	58	29	and	and	CCONJ
admet-2278	58	30	t0	t0	PROPN
admet-2278	58	31	is	be	AUX
admet-2278	58	32	the	the	DET
admet-2278	58	33	dead	dead	ADJ
admet-2278	58	34	volume	volume	NOUN
admet-2278	58	35	measured	measure	VERB
admet-2278	58	36	with	with	ADP
admet-2278	58	37	kno3	kno3	PROPN
admet-2278	58	38	as	as	ADP
admet-2278	58	39	a	a	DET
admet-2278	58	40	non	non	ADJ
admet-2278	58	41	-	-	ADJ
admet-2278	58	42	retentive	retentive	ADJ
admet-2278	58	43	marker	marker	NOUN
admet-2278	58	44	.	.	PUNCT
admet-2278	59	1	the	the	DET
admet-2278	59	2	values	value	NOUN
admet-2278	59	3	corresponding	correspond	VERB
admet-2278	59	4	to	to	ADP
admet-2278	59	5	100	100	NUM
admet-2278	59	6	%	%	NOUN
admet-2278	59	7	of	of	ADP
admet-2278	59	8	the	the	DET
admet-2278	59	9	buffered	buffer	VERB
admet-2278	59	10	eluent	eluent	NOUN
admet-2278	59	11	(	(	PUNCT
admet-2278	59	12	log	log	NOUN
admet-2278	59	13	kw	kw	VERB
admet-2278	59	14	)	)	PUNCT
admet-2278	59	15	were	be	AUX
admet-2278	59	16	determined	determine	VERB
admet-2278	59	17	by	by	ADP
admet-2278	59	18	extrapolation	extrapolation	NOUN
admet-2278	59	19	according	accord	VERB
admet-2278	59	20	to	to	ADP
admet-2278	59	21	equation	equation	NOUN
admet-2278	59	22	(	(	PUNCT
admet-2278	59	23	2	2	NUM
admet-2278	59	24	):	):	PUNCT
admet-2278	59	25	log	log	NOUN
admet-2278	59	26	k	k	NOUN
admet-2278	60	1	=	=	PUNCT
admet-2278	60	2	log	log	VERB
admet-2278	60	3	kw	kw	INTJ
admet-2278	61	1	+	+	CCONJ
admet-2278	61	2	sφ	sφ	PROPN
admet-2278	61	3	(	(	PUNCT
admet-2278	61	4	2	2	NUM
admet-2278	61	5	)	)	PUNCT
admet-2278	61	6	where	where	SCONJ
admet-2278	61	7	log	log	NOUN
admet-2278	61	8	kw	kw	PROPN
admet-2278	61	9	is	be	AUX
admet-2278	61	10	the	the	DET
admet-2278	61	11	intercept	intercept	NOUN
admet-2278	61	12	,	,	PUNCT
admet-2278	61	13	s	s	PART
admet-2278	61	14	is	be	AUX
admet-2278	61	15	the	the	DET
admet-2278	61	16	slope	slope	NOUN
admet-2278	61	17	of	of	ADP
admet-2278	61	18	the	the	DET
admet-2278	61	19	regression	regression	NOUN
admet-2278	61	20	line	line	NOUN
admet-2278	61	21	,	,	PUNCT
admet-2278	61	22	and	and	CCONJ
admet-2278	61	23	φ	φ	PROPN
admet-2278	61	24	is	be	AUX
admet-2278	61	25	the	the	DET
admet-2278	61	26	volume	volume	NOUN
admet-2278	61	27	fraction	fraction	NOUN
admet-2278	61	28	of	of	ADP
admet-2278	61	29	the	the	DET
admet-2278	61	30	organic	organic	ADJ
admet-2278	61	31	modifier	modifier	NOUN
admet-2278	61	32	in	in	ADP
admet-2278	61	33	the	the	DET
admet-2278	61	34	mobile	mobile	ADJ
admet-2278	61	35	phase	phase	NOUN
admet-2278	61	36	.	.	PUNCT
admet-2278	62	1	log	log	VERB
admet-2278	62	2	kw	kw	NUM
admet-2278	62	3	of	of	ADP
admet-2278	62	4	the	the	DET
admet-2278	62	5	analyte	analyte	NOUN
admet-2278	62	6	at	at	ADP
admet-2278	62	7	three	three	NUM
admet-2278	62	8	different	different	ADJ
admet-2278	62	9	experimental	experimental	ADJ
admet-2278	62	10	conditions	condition	NOUN
admet-2278	62	11	,	,	PUNCT
admet-2278	62	12	methanol	methanol	NOUN
admet-2278	62	13	/	/	SYM
admet-2278	62	14	buffer	buffer	NOUN
admet-2278	62	15	ph	ph	VERB
admet-2278	62	16	4.4	4.4	NUM
admet-2278	62	17	,	,	PUNCT
admet-2278	62	18	methanol	methanol	NOUN
admet-2278	62	19	/	/	SYM
admet-2278	62	20	buffer	buffer	NOUN
admet-2278	62	21	ph	ph	NOUN
admet-2278	62	22	7.4	7.4	NUM
admet-2278	62	23	and	and	CCONJ
admet-2278	62	24	methanol	methanol	NOUN
admet-2278	62	25	/	/	SYM
admet-2278	62	26	buffer	buffer	NOUN
admet-2278	62	27	ph	ph	NOUN
admet-2278	62	28	9.1	9.1	NUM
admet-2278	62	29	(	(	PUNCT
admet-2278	62	30	log	log	NOUN
admet-2278	62	31	kw4.4	kw4.4	VERB
admet-2278	62	32	,	,	PUNCT
admet-2278	62	33	log	log	VERB
admet-2278	62	34	kw7.4	kw7.4	VERB
admet-2278	62	35	and	and	CCONJ
admet-2278	62	36	log	log	VERB
admet-2278	62	37	kw9.1	kw9.1	PRON
admet-2278	62	38	,	,	PUNCT
admet-2278	62	39	respectively	respectively	ADV
admet-2278	62	40	)	)	PUNCT
admet-2278	62	41	were	be	AUX
admet-2278	62	42	calculated	calculate	VERB
admet-2278	62	43	for	for	ADP
admet-2278	62	44	all	all	DET
admet-2278	62	45	investigated	investigate	VERB
admet-2278	62	46	compounds	compound	NOUN
admet-2278	62	47	and	and	CCONJ
admet-2278	62	48	used	use	VERB
admet-2278	62	49	for	for	ADP
admet-2278	62	50	the	the	DET
admet-2278	62	51	qsrr	qsrr	PROPN
admet-2278	62	52	analysis	analysis	NOUN
admet-2278	62	53	.	.	PUNCT
admet-2278	63	1	electrophoretic	electrophoretic	ADJ
admet-2278	63	2	conditions	condition	NOUN
admet-2278	63	3	solutions	solution	NOUN
admet-2278	63	4	for	for	ADP
admet-2278	63	5	ce	ce	PROPN
admet-2278	63	6	analysis	analysis	NOUN
admet-2278	63	7	stock	stock	NOUN
admet-2278	63	8	solutions	solution	NOUN
admet-2278	63	9	of	of	ADP
admet-2278	63	10	harman	harman	NOUN
admet-2278	63	11	,	,	PUNCT
admet-2278	63	12	harmine	harmine	NOUN
admet-2278	63	13	,	,	PUNCT
admet-2278	63	14	clopamide	clopamide	PROPN
admet-2278	63	15	,	,	PUNCT
admet-2278	63	16	indapamide	indapamide	ADJ
admet-2278	63	17	,	,	PUNCT
admet-2278	63	18	rilmenidine	rilmenidine	NOUN
admet-2278	63	19	,	,	PUNCT
admet-2278	63	20	mianserin	mianserin	NOUN
admet-2278	63	21	,	,	PUNCT
admet-2278	63	22	doxazosin	doxazosin	PROPN
admet-2278	63	23	,	,	PUNCT
admet-2278	63	24	carvedilol	carvedilol	PROPN
admet-2278	63	25	,	,	PUNCT
admet-2278	63	26	clozapine	clozapine	NOUN
admet-2278	63	27	,	,	PUNCT
admet-2278	63	28	olanzapine	olanzapine	PROPN
admet-2278	63	29	and	and	CCONJ
admet-2278	63	30	triamterene	triamterene	NOUN
admet-2278	63	31	were	be	AUX
admet-2278	63	32	prepared	prepare	VERB
admet-2278	63	33	in	in	ADP
admet-2278	63	34	methanol	methanol	NOUN
admet-2278	63	35	(	(	PUNCT
admet-2278	63	36	c	c	NOUN
admet-2278	63	37	=	=	SYM
admet-2278	63	38	1	1	NUM
admet-2278	63	39	mg	mg	NUM
admet-2278	63	40	/	/	SYM
admet-2278	63	41	ml	ml	NOUN
admet-2278	63	42	)	)	PUNCT
admet-2278	63	43	and	and	CCONJ
admet-2278	63	44	diluted	dilute	VERB
admet-2278	63	45	with	with	ADP
admet-2278	63	46	water	water	NOUN
admet-2278	63	47	to	to	ADP
admet-2278	63	48	a	a	DET
admet-2278	63	49	final	final	ADJ
admet-2278	63	50	concentration	concentration	NOUN
admet-2278	63	51	of	of	ADP
admet-2278	63	52	5.8	5.8	NUM
admet-2278	63	53	μg	μg	NOUN
admet-2278	63	54	/	/	SYM
admet-2278	63	55	ml	ml	X
admet-2278	63	56	for	for	ADP
admet-2278	63	57	triamterene	triamterene	ADJ
admet-2278	63	58	,	,	PUNCT
admet-2278	63	59	60	60	NUM
admet-2278	63	60	μg	μg	NOUN
admet-2278	63	61	/	/	SYM
admet-2278	63	62	ml	ml	X
admet-2278	63	63	for	for	ADP
admet-2278	63	64	rilmenidine	rilmenidine	NOUN
admet-2278	63	65	and	and	CCONJ
admet-2278	63	66	30	30	NUM
admet-2278	63	67	μg	μg	NOUN
admet-2278	63	68	/	/	SYM
admet-2278	63	69	ml	ml	X
admet-2278	63	70	for	for	ADP
admet-2278	63	71	the	the	DET
admet-2278	63	72	other	other	ADJ
admet-2278	63	73	substances	substance	NOUN
admet-2278	63	74	.	.	PUNCT
admet-2278	64	1	brimonidine	brimonidine	PROPN
admet-2278	64	2	was	be	AUX
admet-2278	64	3	dissolved	dissolve	VERB
admet-2278	64	4	in	in	ADP
admet-2278	64	5	0.1	0.1	NUM
admet-2278	64	6	%	%	NOUN
admet-2278	64	7	formic	formic	ADJ
admet-2278	64	8	acid	acid	NOUN
admet-2278	64	9	,	,	PUNCT
admet-2278	64	10	while	while	SCONJ
admet-2278	64	11	the	the	DET
admet-2278	64	12	remaining	remain	VERB
admet-2278	64	13	substances	substance	NOUN
admet-2278	64	14	were	be	AUX
admet-2278	64	15	dissolved	dissolve	VERB
admet-2278	64	16	in	in	ADP
admet-2278	64	17	water	water	NOUN
admet-2278	64	18	.	.	PUNCT
admet-2278	65	1	acetone	acetone	NOUN
admet-2278	65	2	2	2	NUM
admet-2278	65	3	vol.%	vol.%	NOUN
admet-2278	65	4	was	be	AUX
admet-2278	65	5	used	use	VERB
admet-2278	65	6	as	as	ADP
admet-2278	65	7	electroosmotic	electroosmotic	ADJ
admet-2278	65	8	flow	flow	NOUN
admet-2278	65	9	(	(	PUNCT
admet-2278	65	10	eof	eof	NOUN
admet-2278	65	11	)	)	PUNCT
admet-2278	65	12	marker	marker	NOUN
admet-2278	65	13	.	.	PUNCT
admet-2278	66	1	depending	depend	VERB
admet-2278	66	2	on	on	ADP
admet-2278	66	3	uv	uv	NOUN
admet-2278	66	4	responsiveness	responsiveness	NOUN
admet-2278	66	5	and	and	CCONJ
admet-2278	66	6	solubility	solubility	NOUN
admet-2278	66	7	,	,	PUNCT
admet-2278	66	8	samples	sample	NOUN
admet-2278	66	9	were	be	AUX
admet-2278	66	10	prepared	prepare	VERB
admet-2278	66	11	at	at	ADP
admet-2278	66	12	different	different	ADJ
admet-2278	66	13	concentrations	concentration	NOUN
admet-2278	66	14	,	,	PUNCT
admet-2278	66	15	from	from	ADP
admet-2278	66	16	5.8	5.8	NUM
admet-2278	66	17	to	to	PART
admet-2278	66	18	60	60	NUM
admet-2278	66	19	μg	μg	NOUN
admet-2278	66	20	/	/	SYM
admet-2278	66	21	ml	ml	PROPN
admet-2278	66	22	.	.	PUNCT
admet-2278	66	23	ce	ce	PROPN
admet-2278	66	24	equipment	equipment	PROPN
admet-2278	66	25	and	and	CCONJ
admet-2278	66	26	working	working	NOUN
admet-2278	66	27	conditions	condition	NOUN
admet-2278	66	28	the	the	DET
admet-2278	66	29	ce	ce	PROPN
admet-2278	66	30	working	working	NOUN
admet-2278	66	31	conditions	condition	NOUN
admet-2278	66	32	are	be	AUX
admet-2278	66	33	described	describe	VERB
admet-2278	66	34	in	in	ADP
admet-2278	66	35	our	our	PRON
admet-2278	66	36	previously	previously	ADV
admet-2278	66	37	published	publish	VERB
admet-2278	66	38	paper	paper	NOUN
admet-2278	67	1	[	[	X
admet-2278	67	2	20	20	NUM
admet-2278	67	3	]	]	PUNCT
admet-2278	67	4	.	.	PUNCT
admet-2278	68	1	all	all	DET
admet-2278	68	2	experiments	experiment	NOUN
admet-2278	68	3	were	be	AUX
admet-2278	68	4	performed	perform	VERB
admet-2278	68	5	using	use	VERB
admet-2278	68	6	the	the	DET
admet-2278	68	7	spectraphoresis	spectraphoresis	NOUN
admet-2278	68	8	500	500	NUM
admet-2278	68	9	-	-	PUNCT
admet-2278	68	10	capillary	capillary	ADJ
admet-2278	68	11	electrophoresis	electrophoresis	NOUN
admet-2278	68	12	system	system	NOUN
admet-2278	68	13	(	(	PUNCT
admet-2278	68	14	spectra	spectra	ADJ
admet-2278	68	15	physics	physics	PROPN
admet-2278	68	16	analytical	analytical	PROPN
admet-2278	68	17	,	,	PUNCT
admet-2278	68	18	usa	usa	PROPN
admet-2278	68	19	)	)	PUNCT
admet-2278	68	20	with	with	ADP
admet-2278	68	21	uv	uv	NOUN
admet-2278	68	22	detector	detector	NOUN
admet-2278	68	23	.	.	PUNCT
admet-2278	69	1	data	datum	NOUN
admet-2278	69	2	were	be	AUX
admet-2278	69	3	recorded	record	VERB
admet-2278	69	4	and	and	CCONJ
admet-2278	69	5	analyzed	analyze	VERB
admet-2278	69	6	using	use	VERB
admet-2278	69	7	chromquest	chromqu	ADJ
admet-2278	69	8	software	software	NOUN
admet-2278	69	9	version	version	NOUN
admet-2278	69	10	4.0	4.0	NUM
admet-2278	69	11	(	(	PUNCT
admet-2278	69	12	thermo	thermo	NOUN
admet-2278	69	13	finnigan	finnigan	NOUN
admet-2278	69	14	,	,	PUNCT
admet-2278	69	15	usa	usa	PROPN
admet-2278	69	16	)	)	PUNCT
admet-2278	69	17	.	.	PUNCT
admet-2278	70	1	the	the	DET
admet-2278	70	2	separations	separation	NOUN
admet-2278	70	3	were	be	AUX
admet-2278	70	4	performed	perform	VERB
admet-2278	70	5	with	with	ADP
admet-2278	70	6	an	an	DET
admet-2278	70	7	uncoated	uncoated	ADJ
admet-2278	70	8	fused	fuse	VERB
admet-2278	70	9	capillary	capillary	ADJ
admet-2278	70	10	(	(	PUNCT
admet-2278	70	11	total	total	ADJ
admet-2278	70	12	length	length	NOUN
admet-2278	70	13	31.5	31.5	NUM
admet-2278	70	14	cm	cm	NOUN
admet-2278	70	15	,	,	PUNCT
admet-2278	70	16	50	50	NUM
admet-2278	70	17	µm	µm	ADP
admet-2278	70	18	i	i	PROPN
admet-2278	70	19	d	d	PROPN
admet-2278	70	20	,	,	PUNCT
admet-2278	70	21	effective	effective	ADJ
admet-2278	70	22	length	length	NOUN
admet-2278	70	23	24	24	NUM
admet-2278	70	24	cm	cm	NOUN
admet-2278	70	25	,	,	PUNCT
admet-2278	70	26	polymicro	polymicro	NOUN
admet-2278	70	27	technologies	technology	NOUN
admet-2278	70	28	,	,	PUNCT
admet-2278	70	29	usa	usa	PROPN
admet-2278	70	30	)	)	PUNCT
admet-2278	70	31	applying	apply	VERB
admet-2278	70	32	a	a	DET
admet-2278	70	33	voltage	voltage	NOUN
admet-2278	70	34	of	of	ADP
admet-2278	70	35	11	11	NUM
admet-2278	70	36	kv	kv	PROPN
admet-2278	70	37	and	and	CCONJ
admet-2278	70	38	at	at	ADP
admet-2278	70	39	25	25	NUM
admet-2278	70	40	°	°	NOUN
admet-2278	70	41	c	c	NOUN
admet-2278	70	42	.	.	PUNCT
admet-2278	71	1	the	the	DET
admet-2278	71	2	samples	sample	NOUN
admet-2278	71	3	were	be	AUX
admet-2278	71	4	injected	inject	VERB
admet-2278	71	5	hydrodynamically	hydrodynamically	NOUN
admet-2278	71	6	and	and	CCONJ
admet-2278	71	7	detection	detection	NOUN
admet-2278	71	8	was	be	AUX
admet-2278	71	9	performed	perform	VERB
admet-2278	71	10	in	in	ADP
admet-2278	71	11	the	the	DET
admet-2278	71	12	200	200	NUM
admet-2278	71	13	-	-	SYM
admet-2278	71	14	280	280	NUM
admet-2278	71	15	nm	nm	ADJ
admet-2278	71	16	range	range	NOUN
admet-2278	71	17	.	.	PUNCT
admet-2278	72	1	the	the	DET
admet-2278	72	2	new	new	ADJ
admet-2278	72	3	capillary	capillary	NOUN
admet-2278	72	4	was	be	AUX
admet-2278	72	5	rinsed	rinse	VERB
admet-2278	72	6	stepwise	stepwise	NOUN
admet-2278	72	7	with	with	ADP
admet-2278	72	8	0.1	0.1	NUM
admet-2278	72	9	m	m	PROPN
admet-2278	72	10	naoh	naoh	NOUN
admet-2278	72	11	(	(	PUNCT
admet-2278	72	12	15	15	NUM
admet-2278	72	13	min	min	NOUN
admet-2278	72	14	)	)	PUNCT
admet-2278	72	15	,	,	PUNCT
admet-2278	72	16	water	water	NOUN
admet-2278	72	17	(	(	PUNCT
admet-2278	72	18	10	10	NUM
admet-2278	72	19	min	min	NOUN
admet-2278	72	20	)	)	PUNCT
admet-2278	72	21	and	and	CCONJ
admet-2278	72	22	a	a	DET
admet-2278	72	23	running	running	NOUN
admet-2278	72	24	buffer	buffer	NOUN
admet-2278	72	25	(	(	PUNCT
admet-2278	72	26	10	10	NUM
admet-2278	72	27	min	min	NOUN
admet-2278	72	28	)	)	PUNCT
admet-2278	72	29	.	.	PUNCT
admet-2278	73	1	finally	finally	ADV
admet-2278	73	2	,	,	PUNCT
admet-2278	73	3	a	a	DET
admet-2278	73	4	10	10	NUM
admet-2278	73	5	min	min	NOUN
admet-2278	73	6	high	high	ADJ
admet-2278	73	7	voltage	voltage	NOUN
admet-2278	73	8	was	be	AUX
admet-2278	73	9	applied	apply	VERB
admet-2278	73	10	through	through	ADP
admet-2278	73	11	the	the	DET
admet-2278	73	12	background	background	NOUN
admet-2278	73	13	electrolyte	electrolyte	NOUN
admet-2278	73	14	-	-	PUNCT
admet-2278	73	15	filled	fill	VERB
admet-2278	73	16	capillary	capillary	ADJ
admet-2278	73	17	to	to	PART
admet-2278	73	18	equalize	equalize	VERB
admet-2278	73	19	the	the	DET
admet-2278	73	20	inner	inner	ADJ
admet-2278	73	21	surface	surface	NOUN
admet-2278	73	22	,	,	PUNCT
admet-2278	73	23	stabilize	stabilize	VERB
admet-2278	73	24	the	the	DET
admet-2278	73	25	electroosmotic	electroosmotic	ADJ
admet-2278	73	26	flow	flow	NOUN
admet-2278	73	27	and	and	CCONJ
admet-2278	73	28	ensure	ensure	VERB
admet-2278	73	29	good	good	ADJ
admet-2278	73	30	reproducibility	reproducibility	NOUN
admet-2278	73	31	of	of	ADP
admet-2278	73	32	injections	injection	NOUN
admet-2278	73	33	from	from	ADP
admet-2278	73	34	run	run	NOUN
admet-2278	73	35	to	to	PART
admet-2278	73	36	run	run	VERB
admet-2278	73	37	.	.	PUNCT
admet-2278	74	1	background	background	NOUN
admet-2278	74	2	solutions	solution	NOUN
admet-2278	74	3	with	with	ADP
admet-2278	74	4	constant	constant	ADJ
admet-2278	74	5	ionic	ionic	ADJ
admet-2278	74	6	strength	strength	NOUN
admet-2278	74	7	(	(	PUNCT
admet-2278	74	8	i	i	NOUN
admet-2278	74	9	=	=	NOUN
admet-2278	74	10	25	25	NUM
admet-2278	74	11	mmol	mmol	NOUN
admet-2278	74	12	/	/	SYM
admet-2278	74	13	l	l	NOUN
admet-2278	74	14	)	)	PUNCT
admet-2278	74	15	were	be	AUX
admet-2278	74	16	prepared	prepare	VERB
admet-2278	74	17	at	at	ADP
admet-2278	74	18	three	three	NUM
admet-2278	74	19	different	different	ADJ
admet-2278	74	20	ph	ph	ADJ
admet-2278	74	21	values	value	NOUN
admet-2278	74	22	by	by	ADP
admet-2278	74	23	mixing	mix	VERB
admet-2278	74	24	the	the	DET
admet-2278	74	25	corresponding	correspond	VERB
admet-2278	74	26	amounts	amount	NOUN
admet-2278	74	27	of	of	ADP
admet-2278	74	28	ch3cooh	ch3cooh	NOUN
admet-2278	74	29	/	/	SYM
admet-2278	74	30	naoh	naoh	NOUN
admet-2278	74	31	,	,	PUNCT
admet-2278	74	32	nah2po4	nah2po4	PROPN
admet-2278	74	33	/	/	SYM
admet-2278	74	34	naoh	naoh	NOUN
admet-2278	74	35	and	and	CCONJ
admet-2278	74	36	h3bo3	h3bo3	NOUN
admet-2278	74	37	/	/	SYM
admet-2278	74	38	naoh	naoh	NOUN
admet-2278	74	39	for	for	ADP
admet-2278	74	40	ph	ph	PROPN
admet-2278	74	41	4.4	4.4	NUM
admet-2278	74	42	,	,	PUNCT
admet-2278	74	43	7.4	7.4	NUM
admet-2278	74	44	and	and	CCONJ
admet-2278	74	45	9.1	9.1	NUM
admet-2278	74	46	,	,	PUNCT
admet-2278	74	47	respectively	respectively	ADV
admet-2278	74	48	.	.	PUNCT
admet-2278	75	1	all	all	DET
admet-2278	75	2	compounds	compound	NOUN
admet-2278	75	3	were	be	AUX
admet-2278	75	4	injected	inject	VERB
admet-2278	75	5	in	in	ADP
admet-2278	75	6	three	three	NUM
admet-2278	75	7	replicates	replicate	NOUN
admet-2278	75	8	at	at	ADP
admet-2278	75	9	each	each	DET
admet-2278	75	10	ph	ph	NOUN
admet-2278	75	11	(	(	PUNCT
admet-2278	75	12	4.4	4.4	NUM
admet-2278	75	13	;	;	PUNCT
admet-2278	75	14	7.4	7.4	NUM
admet-2278	75	15	and	and	CCONJ
admet-2278	75	16	9.1	9.1	NUM
admet-2278	75	17	)	)	PUNCT
admet-2278	75	18	.	.	PUNCT
admet-2278	76	1	between	between	ADP
admet-2278	76	2	runs	run	NOUN
admet-2278	76	3	,	,	PUNCT
admet-2278	76	4	the	the	DET
admet-2278	76	5	capillary	capillary	ADJ
admet-2278	76	6	was	be	AUX
admet-2278	76	7	rinsed	rinse	VERB
admet-2278	76	8	with	with	ADP
admet-2278	76	9	the	the	DET
admet-2278	76	10	background	background	NOUN
admet-2278	76	11	electrolyte	electrolyte	NOUN
admet-2278	76	12	for	for	ADP
admet-2278	76	13	1	1	NUM
admet-2278	76	14	minute	minute	NOUN
admet-2278	76	15	.	.	PUNCT
admet-2278	77	1	the	the	DET
admet-2278	77	2	effective	effective	ADJ
admet-2278	77	3	electrophoretic	electrophoretic	ADJ
admet-2278	77	4	mobility	mobility	NOUN
admet-2278	77	5	,	,	PUNCT
admet-2278	77	6	μeff	μeff	PROPN
admet-2278	77	7	,	,	PUNCT
admet-2278	77	8	of	of	ADP
admet-2278	77	9	the	the	DET
admet-2278	77	10	analyte	analyte	NOUN
admet-2278	77	11	at	at	ADP
admet-2278	77	12	three	three	NUM
admet-2278	77	13	different	different	ADJ
admet-2278	77	14	ph	ph	ADJ
admet-2278	77	15	values	value	NOUN
admet-2278	77	16	4.4	4.4	NUM
admet-2278	77	17	;	;	PUNCT
admet-2278	77	18	7.4	7.4	NUM
admet-2278	77	19	and	and	CCONJ
admet-2278	77	20	9.1	9.1	NUM
admet-2278	77	21	(	(	PUNCT
admet-2278	77	22	μeff4.4	μeff4.4	NUM
admet-2278	77	23	,	,	PUNCT
admet-2278	77	24	μeff7.4	μeff7.4	NUM
admet-2278	77	25	and	and	CCONJ
admet-2278	77	26	μeff9.1	μeff9.1	NUM
admet-2278	77	27	,	,	PUNCT
admet-2278	77	28	respectively	respectively	ADV
admet-2278	77	29	)	)	PUNCT
admet-2278	77	30	is	be	AUX
admet-2278	77	31	expressed	express	VERB
admet-2278	77	32	in	in	ADP
admet-2278	77	33	cm2	cm2	PROPN
admet-2278	77	34	/	/	SYM
admet-2278	77	35	v	v	NOUN
admet-2278	77	36	s	s	PRON
admet-2278	77	37	and	and	CCONJ
admet-2278	77	38	was	be	AUX
admet-2278	77	39	calculated	calculate	VERB
admet-2278	77	40	using	use	VERB
admet-2278	77	41	the	the	DET
admet-2278	77	42	equation	equation	NOUN
admet-2278	77	43	(	(	PUNCT
admet-2278	77	44	3	3	NUM
admet-2278	77	45	):	):	PUNCT
admet-2278	77	46	eff	eff	PROPN
admet-2278	77	47	eff	eff	PROPN
admet-2278	77	48	m	m	PROPN
admet-2278	77	49	eof	eof	VERB
admet-2278	77	50	  	  	SPACE
admet-2278	77	51	1	1	NUM
admet-2278	77	52	1	1	NUM
admet-2278	77	53	      	      	SPACE
admet-2278	77	54	u	u	PROPN
admet-2278	77	55	   	   	SPACE
admet-2278	77	56	t	t	PROPN
admet-2278	77	57	tl	tl	PROPN
admet-2278	77	58	l	l	PROPN
admet-2278	77	59	µ	µ	PROPN
admet-2278	77	60	t	t	PROPN
admet-2278	77	61			NOUN
admet-2278	77	62			PROPN
admet-2278	77	63	=	=	SYM
admet-2278	77	64			PROPN
admet-2278	78	1			PROPN
admet-2278	78	2			PROPN
admet-2278	78	3			NOUN
admet-2278	78	4	(	(	PUNCT
admet-2278	78	5	3	3	NUM
admet-2278	78	6	)	)	PUNCT
admet-2278	78	7	where	where	SCONJ
admet-2278	78	8	lt	lt	NOUN
admet-2278	78	9	is	be	AUX
admet-2278	78	10	the	the	DET
admet-2278	78	11	total	total	ADJ
admet-2278	78	12	length	length	NOUN
admet-2278	78	13	of	of	ADP
admet-2278	78	14	the	the	DET
admet-2278	78	15	capillary	capillary	ADJ
admet-2278	78	16	(	(	PUNCT
admet-2278	78	17	cm	cm	NOUN
admet-2278	78	18	)	)	PUNCT
admet-2278	78	19	,	,	PUNCT
admet-2278	78	20	leff	leff	PROPN
admet-2278	78	21	is	be	AUX
admet-2278	78	22	the	the	DET
admet-2278	78	23	effective	effective	ADJ
admet-2278	78	24	length	length	NOUN
admet-2278	78	25	of	of	ADP
admet-2278	78	26	the	the	DET
admet-2278	78	27	capillary	capillary	ADJ
admet-2278	78	28	(	(	PUNCT
admet-2278	78	29	cm	cm	NOUN
admet-2278	78	30	)	)	PUNCT
admet-2278	78	31	,	,	PUNCT
admet-2278	78	32	u	u	NOUN
admet-2278	78	33	is	be	AUX
admet-2278	78	34	the	the	DET
admet-2278	78	35	applied	apply	VERB
admet-2278	78	36	voltage	voltage	NOUN
admet-2278	78	37	(	(	PUNCT
admet-2278	78	38	v	v	NOUN
admet-2278	78	39	)	)	PUNCT
admet-2278	78	40	,	,	PUNCT
admet-2278	78	41	tm	tm	PROPN
admet-2278	78	42	is	be	AUX
admet-2278	78	43	the	the	DET
admet-2278	78	44	migration	migration	NOUN
admet-2278	78	45	time	time	NOUN
admet-2278	78	46	of	of	ADP
admet-2278	78	47	the	the	DET
admet-2278	78	48	analyte	analyte	NOUN
admet-2278	78	49	(	(	PUNCT
admet-2278	78	50	s	s	NOUN
admet-2278	78	51	)	)	PUNCT
admet-2278	78	52	and	and	CCONJ
admet-2278	78	53	teof	teof	NOUN
admet-2278	78	54	is	be	AUX
admet-2278	78	55	the	the	DET
admet-2278	78	56	migration	migration	NOUN
admet-2278	78	57	time	time	NOUN
admet-2278	78	58	of	of	ADP
admet-2278	78	59	the	the	DET
admet-2278	78	60	electroneutral	electroneutral	ADJ
admet-2278	78	61	eof	eof	NOUN
admet-2278	78	62	marker	marker	NOUN
admet-2278	78	63	acetone	acetone	NOUN
admet-2278	78	64	(	(	PUNCT
admet-2278	78	65	s	s	NOUN
admet-2278	78	66	)	)	PUNCT
admet-2278	78	67	.	.	PUNCT
admet-2278	79	1	the	the	DET
admet-2278	79	2	calculated	calculate	VERB
admet-2278	79	3	µeff	µeff	NOUN
admet-2278	79	4	values	value	NOUN
admet-2278	79	5	(	(	PUNCT
admet-2278	79	6	μeff4.4	μeff4.4	NUM
admet-2278	79	7	,	,	PUNCT
admet-2278	79	8	μeff7.4	μeff7.4	NUM
admet-2278	79	9	and	and	CCONJ
admet-2278	79	10	μeff9.1	μeff9.1	NUM
admet-2278	79	11	)	)	PUNCT
admet-2278	79	12	were	be	AUX
admet-2278	79	13	used	use	VERB
admet-2278	79	14	as	as	ADP
admet-2278	79	15	dependent	dependent	ADJ
admet-2278	79	16	variables	variable	NOUN
admet-2278	79	17	in	in	ADP
admet-2278	79	18	qsmr	qsmr	NOUN
admet-2278	79	19	analysis	analysis	NOUN
admet-2278	79	20	.	.	PUNCT
admet-2278	80	1	admet	admet	PROPN
admet-2278	80	2	&	&	CCONJ
admet-2278	80	3	dmpk	dmpk	PROPN
admet-2278	80	4	12(5	12(5	NUM
admet-2278	80	5	)	)	PUNCT
admet-2278	80	6	(	(	PUNCT
admet-2278	80	7	2024	2024	NUM
admet-2278	80	8	)	)	PUNCT
admet-2278	80	9	737	737	NUM
admet-2278	80	10	-	-	SYM
admet-2278	80	11	757	757	NUM
admet-2278	80	12	imidazoline	imidazoline	NOUN
admet-2278	80	13	and	and	CCONJ
admet-2278	80	14	alpha	alpha	NOUN
admet-2278	80	15	adrenergic	adrenergic	NOUN
admet-2278	80	16	receptors	receptor	NOUN
admet-2278	80	17	ligands	ligand	NOUN
admet-2278	80	18	doi	doi	NOUN
admet-2278	80	19	:	:	PUNCT
admet-2278	80	20	https://doi.org/10.5599/admet.2278	https://doi.org/10.5599/admet.2278	PROPN
admet-2278	80	21	741	741	NUM
admet-2278	80	22	theory	theory	NOUN
admet-2278	80	23	/	/	SYM
admet-2278	80	24	calculation	calculation	NOUN
admet-2278	80	25	computational	computational	ADJ
admet-2278	80	26	methods	method	NOUN
admet-2278	80	27	clonidine	clonidine	PROPN
admet-2278	80	28	,	,	PUNCT
admet-2278	80	29	moxonidine	moxonidine	PROPN
admet-2278	80	30	,	,	PUNCT
admet-2278	80	31	tizanidine	tizanidine	NOUN
admet-2278	80	32	,	,	PUNCT
admet-2278	80	33	brimonidine	brimonidine	NOUN
admet-2278	80	34	,	,	PUNCT
admet-2278	80	35	rilmenidine	rilmenidine	NOUN
admet-2278	80	36	,	,	PUNCT
admet-2278	80	37	and	and	CCONJ
admet-2278	80	38	tramazoline	tramazoline	NOUN
admet-2278	80	39	are	be	AUX
admet-2278	80	40	cyclic	cyclic	ADJ
admet-2278	80	41	guanidines	guanidine	NOUN
admet-2278	80	42	or	or	CCONJ
admet-2278	80	43	amidine	amidine	ADJ
admet-2278	80	44	structures	structure	NOUN
admet-2278	80	45	that	that	PRON
admet-2278	80	46	can	can	AUX
admet-2278	80	47	exist	exist	VERB
admet-2278	80	48	in	in	ADP
admet-2278	80	49	two	two	NUM
admet-2278	80	50	main	main	ADJ
admet-2278	80	51	tautomeric	tautomeric	ADJ
admet-2278	80	52	forms	form	NOUN
admet-2278	80	53	(	(	PUNCT
admet-2278	80	54	amino	amino	NOUN
admet-2278	80	55	and	and	CCONJ
admet-2278	80	56	imino	imino	NOUN
admet-2278	80	57	)	)	PUNCT
admet-2278	80	58	.	.	PUNCT
admet-2278	81	1	the	the	DET
admet-2278	81	2	stability	stability	NOUN
admet-2278	81	3	of	of	ADP
admet-2278	81	4	their	their	PRON
admet-2278	81	5	amino	amino	NOUN
admet-2278	81	6	and	and	CCONJ
admet-2278	81	7	imino	imino	NOUN
admet-2278	81	8	tautomers	tautomer	NOUN
admet-2278	81	9	was	be	AUX
admet-2278	81	10	investigated	investigate	VERB
admet-2278	81	11	at	at	ADP
admet-2278	81	12	the	the	DET
admet-2278	81	13	b3lyp/6–31g(d	b3lyp/6–31g(d	PROPN
admet-2278	81	14	,	,	PUNCT
admet-2278	81	15	p	p	NOUN
admet-2278	81	16	)	)	PUNCT
admet-2278	81	17	level	level	NOUN
admet-2278	81	18	of	of	ADP
admet-2278	81	19	density	density	NOUN
admet-2278	81	20	functional	functional	ADJ
admet-2278	81	21	theory-(dft	theory-(dft	NOUN
admet-2278	81	22	)	)	PUNCT
admet-2278	82	1	[	[	X
admet-2278	82	2	25,26	25,26	X
admet-2278	82	3	]	]	PUNCT
admet-2278	82	4	using	use	VERB
admet-2278	82	5	the	the	DET
admet-2278	82	6	gaussian	gaussian	ADJ
admet-2278	82	7	98	98	NUM
admet-2278	82	8	program	program	NOUN
admet-2278	82	9	[	[	X
admet-2278	82	10	27	27	NUM
admet-2278	82	11	]	]	PUNCT
admet-2278	82	12	.	.	PUNCT
admet-2278	83	1	based	base	VERB
admet-2278	83	2	on	on	ADP
admet-2278	83	3	the	the	DET
admet-2278	83	4	self	self	NOUN
admet-2278	83	5	consistent	consistent	ADJ
admet-2278	83	6	field	field	NOUN
admet-2278	83	7	energy	energy	NOUN
admet-2278	83	8	calculated	calculate	VERB
admet-2278	83	9	for	for	ADP
admet-2278	83	10	neutral	neutral	ADJ
admet-2278	83	11	amino	amino	NOUN
admet-2278	83	12	and	and	CCONJ
admet-2278	83	13	imino	imino	NOUN
admet-2278	83	14	tautomers	tautomer	NOUN
admet-2278	83	15	of	of	ADP
admet-2278	83	16	the	the	DET
admet-2278	83	17	compounds	compound	NOUN
admet-2278	83	18	,	,	PUNCT
admet-2278	83	19	it	it	PRON
admet-2278	83	20	was	be	AUX
admet-2278	83	21	shown	show	VERB
admet-2278	83	22	that	that	SCONJ
admet-2278	83	23	clonidine	clonidine	NOUN
admet-2278	83	24	,	,	PUNCT
admet-2278	83	25	moxonidine	moxonidine	PROPN
admet-2278	83	26	,	,	PUNCT
admet-2278	83	27	tizanidine	tizanidine	NOUN
admet-2278	83	28	,	,	PUNCT
admet-2278	83	29	brimonidine	brimonidine	NOUN
admet-2278	83	30	and	and	CCONJ
admet-2278	83	31	tramazoline	tramazoline	NOUN
admet-2278	83	32	exist	exist	VERB
admet-2278	83	33	as	as	ADP
admet-2278	83	34	more	more	ADV
admet-2278	83	35	stable	stable	ADJ
admet-2278	83	36	imino	imino	NOUN
admet-2278	83	37	tautomers	tautomer	NOUN
admet-2278	83	38	,	,	PUNCT
admet-2278	83	39	while	while	SCONJ
admet-2278	83	40	the	the	DET
admet-2278	83	41	predominant	predominant	ADJ
admet-2278	83	42	tautomeric	tautomeric	ADJ
admet-2278	83	43	form	form	NOUN
admet-2278	83	44	of	of	ADP
admet-2278	83	45	rilmenidine	rilmenidine	NOUN
admet-2278	83	46	is	be	AUX
admet-2278	83	47	the	the	DET
admet-2278	83	48	amino	amino	NOUN
admet-2278	83	49	form	form	NOUN
admet-2278	83	50	.	.	PUNCT
admet-2278	84	1	the	the	DET
admet-2278	84	2	calculation	calculation	NOUN
admet-2278	84	3	of	of	ADP
admet-2278	84	4	pka	pka	PROPN
admet-2278	84	5	and	and	CCONJ
admet-2278	84	6	the	the	DET
admet-2278	84	7	selection	selection	NOUN
admet-2278	84	8	of	of	ADP
admet-2278	84	9	the	the	DET
admet-2278	84	10	dominant	dominant	ADJ
admet-2278	84	11	molecule	molecule	NOUN
admet-2278	84	12	/	/	SYM
admet-2278	84	13	cation	cation	NOUN
admet-2278	84	14	species	specie	NOUN
admet-2278	84	15	under	under	ADP
admet-2278	84	16	experimental	experimental	ADJ
admet-2278	84	17	conditions	condition	NOUN
admet-2278	84	18	(	(	PUNCT
admet-2278	84	19	ph	ph	NOUN
admet-2278	84	20	4.4	4.4	NUM
admet-2278	84	21	,	,	PUNCT
admet-2278	84	22	7.4	7.4	NUM
admet-2278	84	23	and	and	CCONJ
admet-2278	84	24	9.1	9.1	NUM
admet-2278	84	25	)	)	PUNCT
admet-2278	84	26	were	be	AUX
admet-2278	84	27	performed	perform	VERB
admet-2278	84	28	for	for	ADP
admet-2278	84	29	29	29	NUM
admet-2278	84	30	α	α	NUM
admet-2278	84	31	-	-	ADJ
admet-2278	84	32	adrenergic	adrenergic	ADJ
admet-2278	84	33	and	and	CCONJ
admet-2278	84	34	imidazoline	imidazoline	NOUN
admet-2278	84	35	receptor	receptor	NOUN
admet-2278	84	36	ligands	ligand	NOUN
admet-2278	84	37	using	use	VERB
admet-2278	84	38	the	the	DET
admet-2278	84	39	marvin	marvin	PROPN
admet-2278	84	40	5.5.1.0	5.5.1.0	NUM
admet-2278	84	41	chemaxon	chemaxon	NOUN
admet-2278	84	42	program	program	NOUN
admet-2278	84	43	[	[	X
admet-2278	84	44	28	28	NUM
admet-2278	84	45	]	]	PUNCT
admet-2278	84	46	.	.	PUNCT
admet-2278	85	1	structural	structural	ADJ
admet-2278	85	2	optimization	optimization	NOUN
admet-2278	85	3	(	(	PUNCT
admet-2278	85	4	selected	select	VERB
admet-2278	85	5	tautomers	tautomer	NOUN
admet-2278	85	6	and	and	CCONJ
admet-2278	85	7	molecules	molecule	NOUN
admet-2278	85	8	/	/	SYM
admet-2278	85	9	cations	cation	NOUN
admet-2278	85	10	species	specie	NOUN
admet-2278	85	11	at	at	ADP
admet-2278	85	12	three	three	NUM
admet-2278	85	13	different	different	ADJ
admet-2278	85	14	ph	ph	ADJ
admet-2278	85	15	values	value	NOUN
admet-2278	85	16	)	)	PUNCT
admet-2278	85	17	was	be	AUX
admet-2278	85	18	performed	perform	VERB
admet-2278	85	19	using	use	VERB
admet-2278	85	20	the	the	DET
admet-2278	85	21	b3lyp/3–21(d	b3lyp/3–21(d	NOUN
admet-2278	85	22	,	,	PUNCT
admet-2278	85	23	p	p	NOUN
admet-2278	85	24	)	)	PUNCT
admet-2278	85	25	levels	level	NOUN
admet-2278	85	26	of	of	ADP
admet-2278	85	27	the	the	DET
admet-2278	85	28	dft	dft	NOUN
admet-2278	85	29	in	in	ADP
admet-2278	85	30	the	the	DET
admet-2278	85	31	gaussian	gaussian	ADJ
admet-2278	85	32	98	98	NUM
admet-2278	85	33	program	program	NOUN
admet-2278	85	34	[	[	X
admet-2278	85	35	27	27	NUM
admet-2278	85	36	]	]	PUNCT
admet-2278	85	37	.	.	PUNCT
admet-2278	86	1	molecular	molecular	ADJ
admet-2278	86	2	descriptors	descriptor	NOUN
admet-2278	86	3	were	be	AUX
admet-2278	86	4	calculated	calculate	VERB
admet-2278	86	5	for	for	ADP
admet-2278	86	6	all	all	DET
admet-2278	86	7	investigated	investigate	VERB
admet-2278	86	8	compounds	compound	NOUN
admet-2278	86	9	in	in	ADP
admet-2278	86	10	the	the	DET
admet-2278	86	11	programs	program	NOUN
admet-2278	86	12	dragon	dragon	VERB
admet-2278	86	13	[	[	PUNCT
admet-2278	86	14	29	29	NUM
admet-2278	86	15	]	]	PUNCT
admet-2278	86	16	,	,	PUNCT
admet-2278	86	17	gaussian	gaussian	NOUN
admet-2278	86	18	98	98	NUM
admet-2278	86	19	(	(	PUNCT
admet-2278	86	20	b3lyp/3	b3lyp/3	NOUN
admet-2278	86	21	-	-	PUNCT
admet-2278	86	22	21g(d	21g(d	PROPN
admet-2278	86	23	,	,	PUNCT
admet-2278	86	24	p	p	NOUN
admet-2278	86	25	)	)	PUNCT
admet-2278	86	26	basis	basis	NOUN
admet-2278	86	27	set	set	NOUN
admet-2278	86	28	)	)	PUNCT
admet-2278	87	1	[	[	X
admet-2278	87	2	27	27	NUM
admet-2278	87	3	]	]	PUNCT
admet-2278	87	4	,	,	PUNCT
admet-2278	87	5	marvin	marvin	PROPN
admet-2278	87	6	5.5.1.0	5.5.1.0	PROPN
admet-2278	87	7	chemaxon	chemaxon	NOUN
admet-2278	88	1	[	[	X
admet-2278	88	2	28	28	NUM
admet-2278	88	3	]	]	PUNCT
admet-2278	88	4	,	,	PUNCT
admet-2278	88	5	and	and	CCONJ
admet-2278	88	6	chem3d	chem3d	VERB
admet-2278	89	1	ultra	ultra	ADJ
admet-2278	89	2	7.0.0	7.0.0	NUM
admet-2278	89	3	[	[	X
admet-2278	89	4	30	30	NUM
admet-2278	89	5	]	]	PUNCT
admet-2278	89	6	.	.	PUNCT
admet-2278	90	1	in	in	ADP
admet-2278	90	2	addition	addition	NOUN
admet-2278	90	3	,	,	PUNCT
admet-2278	90	4	descriptors	descriptor	NOUN
admet-2278	90	5	such	such	ADJ
admet-2278	90	6	as	as	ADP
admet-2278	90	7	hardness	hardness	NOUN
admet-2278	90	8	(	(	PUNCT
admet-2278	90	9	η	η	NOUN
admet-2278	90	10	)	)	PUNCT
admet-2278	90	11	,	,	PUNCT
admet-2278	90	12	global	global	ADJ
admet-2278	90	13	softness	softness	NOUN
admet-2278	90	14	,	,	PUNCT
admet-2278	90	15	chemical	chemical	NOUN
admet-2278	90	16	potential	potential	NOUN
admet-2278	90	17	(	(	PUNCT
admet-2278	90	18	μ	μ	NOUN
admet-2278	90	19	)	)	PUNCT
admet-2278	90	20	,	,	PUNCT
admet-2278	90	21	electronegativity	electronegativity	NOUN
admet-2278	90	22	(	(	PUNCT
admet-2278	90	23	χ	χ	NOUN
admet-2278	90	24	)	)	PUNCT
admet-2278	90	25	and	and	CCONJ
admet-2278	90	26	electrophilicity	electrophilicity	NOUN
admet-2278	90	27	index	index	NOUN
admet-2278	90	28	(	(	PUNCT
admet-2278	90	29	ω	ω	NOUN
admet-2278	90	30	)	)	PUNCT
admet-2278	90	31	,	,	PUNCT
admet-2278	90	32	which	which	PRON
admet-2278	90	33	have	have	AUX
admet-2278	90	34	been	be	AUX
admet-2278	90	35	extensively	extensively	ADV
admet-2278	90	36	used	use	VERB
admet-2278	90	37	to	to	PART
admet-2278	90	38	interpret	interpret	VERB
admet-2278	90	39	various	various	ADJ
admet-2278	90	40	aspects	aspect	NOUN
admet-2278	90	41	of	of	ADP
admet-2278	90	42	chemical	chemical	ADJ
admet-2278	90	43	bonding	bonding	NOUN
admet-2278	90	44	and	and	CCONJ
admet-2278	90	45	reaction	reaction	NOUN
admet-2278	90	46	mechanism	mechanism	NOUN
admet-2278	90	47	,	,	PUNCT
admet-2278	90	48	were	be	AUX
admet-2278	90	49	included	include	VERB
admet-2278	90	50	in	in	ADP
admet-2278	90	51	the	the	DET
admet-2278	90	52	set	set	NOUN
admet-2278	90	53	of	of	ADP
admet-2278	90	54	calculated	calculate	VERB
admet-2278	90	55	properties	property	NOUN
admet-2278	90	56	[	[	X
admet-2278	90	57	31	31	NUM
admet-2278	90	58	]	]	PUNCT
admet-2278	90	59	.	.	PUNCT
admet-2278	91	1	the	the	DET
admet-2278	91	2	partial	partial	ADJ
admet-2278	91	3	least	least	ADJ
admet-2278	91	4	squares	square	NOUN
admet-2278	91	5	regression	regression	NOUN
admet-2278	91	6	analysis	analysis	NOUN
admet-2278	91	7	started	start	VERB
admet-2278	91	8	with	with	ADP
admet-2278	91	9	3445	3445	NUM
admet-2278	91	10	computed	compute	VERB
admet-2278	91	11	descriptors	descriptor	NOUN
admet-2278	91	12	.	.	PUNCT
admet-2278	92	1	the	the	DET
admet-2278	92	2	descriptors	descriptor	NOUN
admet-2278	92	3	with	with	ADP
admet-2278	92	4	constant	constant	ADJ
admet-2278	92	5	values	value	NOUN
admet-2278	92	6	were	be	AUX
admet-2278	92	7	excluded	exclude	VERB
admet-2278	92	8	from	from	ADP
admet-2278	92	9	the	the	DET
admet-2278	92	10	modelling	modelling	NOUN
admet-2278	92	11	,	,	PUNCT
admet-2278	92	12	as	as	SCONJ
admet-2278	92	13	were	be	AUX
admet-2278	92	14	descriptors	descriptor	NOUN
admet-2278	92	15	with	with	ADP
admet-2278	92	16	an	an	DET
admet-2278	92	17	intercorrelation	intercorrelation	NOUN
admet-2278	92	18	greater	great	ADJ
admet-2278	92	19	than	than	ADP
admet-2278	92	20	0.996	0.996	NUM
admet-2278	92	21	.	.	PUNCT
admet-2278	93	1	for	for	ADP
admet-2278	93	2	a	a	DET
admet-2278	93	3	pair	pair	NOUN
admet-2278	93	4	of	of	ADP
admet-2278	93	5	correlated	correlate	VERB
admet-2278	93	6	descriptors	descriptor	NOUN
admet-2278	93	7	,	,	PUNCT
admet-2278	93	8	the	the	DET
admet-2278	93	9	one	one	NOUN
admet-2278	93	10	with	with	ADP
admet-2278	93	11	the	the	DET
admet-2278	93	12	better	well	ADJ
admet-2278	93	13	correlation	correlation	NOUN
admet-2278	93	14	to	to	ADP
admet-2278	93	15	y	y	PROPN
admet-2278	93	16	was	be	AUX
admet-2278	93	17	retained	retain	VERB
admet-2278	93	18	,	,	PUNCT
admet-2278	93	19	while	while	SCONJ
admet-2278	93	20	the	the	DET
admet-2278	93	21	other	other	ADJ
admet-2278	93	22	was	be	AUX
admet-2278	93	23	excluded	exclude	VERB
admet-2278	93	24	from	from	ADP
admet-2278	93	25	the	the	DET
admet-2278	93	26	analysis	analysis	NOUN
admet-2278	93	27	.	.	PUNCT
admet-2278	94	1	in	in	ADP
admet-2278	94	2	the	the	DET
admet-2278	94	3	case	case	NOUN
admet-2278	94	4	of	of	ADP
admet-2278	94	5	the	the	DET
admet-2278	94	6	mlr	mlr	NOUN
admet-2278	94	7	analysis	analysis	NOUN
admet-2278	94	8	,	,	PUNCT
admet-2278	94	9	the	the	DET
admet-2278	94	10	cut	cut	VERB
admet-2278	94	11	-	-	PUNCT
admet-2278	94	12	off	off	ADP
admet-2278	94	13	value	value	NOUN
admet-2278	94	14	for	for	ADP
admet-2278	94	15	the	the	DET
admet-2278	94	16	intercorrelation	intercorrelation	NOUN
admet-2278	94	17	was	be	AUX
admet-2278	94	18	set	set	VERB
admet-2278	94	19	at	at	ADP
admet-2278	94	20	0.9	0.9	NUM
admet-2278	94	21	[	[	X
admet-2278	94	22	32	32	NUM
admet-2278	94	23	]	]	PUNCT
admet-2278	94	24	.	.	PUNCT
admet-2278	95	1	quantitative	quantitative	ADJ
admet-2278	95	2	structure	structure	NOUN
admet-2278	95	3	-	-	PUNCT
admet-2278	95	4	retention	retention	NOUN
admet-2278	95	5	relationship	relationship	NOUN
admet-2278	95	6	and	and	CCONJ
admet-2278	95	7	quantitative	quantitative	ADJ
admet-2278	95	8	structure	structure	NOUN
admet-2278	95	9	-	-	PUNCT
admet-2278	95	10	mobility	mobility	NOUN
admet-2278	95	11	relationship	relationship	NOUN
admet-2278	95	12	modelling	model	VERB
admet-2278	95	13	qsrr	qsrr	NOUN
admet-2278	95	14	and	and	CCONJ
admet-2278	95	15	qsmr	qsmr	NOUN
admet-2278	95	16	modelling	model	VERB
admet-2278	95	17	studies	study	NOUN
admet-2278	95	18	were	be	AUX
admet-2278	95	19	performed	perform	VERB
admet-2278	95	20	for	for	ADP
admet-2278	95	21	29	29	NUM
admet-2278	95	22	imidazoline	imidazoline	NOUN
admet-2278	95	23	and	and	CCONJ
admet-2278	95	24	α	α	NOUN
admet-2278	95	25	-	-	ADJ
admet-2278	95	26	adrenergic	adrenergic	ADJ
admet-2278	95	27	receptors	receptor	NOUN
admet-2278	95	28	ligands	ligand	NOUN
admet-2278	95	29	using	use	VERB
admet-2278	95	30	pls	pls	PROPN
admet-2278	95	31	and	and	CCONJ
admet-2278	95	32	stepwise	stepwise	PROPN
admet-2278	95	33	mlr	mlr	PROPN
admet-2278	95	34	statistical	statistical	ADJ
admet-2278	95	35	methods	method	NOUN
admet-2278	95	36	at	at	ADP
admet-2278	95	37	ph	ph	ADJ
admet-2278	95	38	values	value	NOUN
admet-2278	95	39	of	of	ADP
admet-2278	95	40	4.4	4.4	NUM
admet-2278	95	41	,	,	PUNCT
admet-2278	95	42	7.4	7.4	NUM
admet-2278	95	43	and	and	CCONJ
admet-2278	95	44	9.1	9.1	NUM
admet-2278	95	45	and	and	CCONJ
admet-2278	95	46	on	on	ADP
admet-2278	95	47	both	both	PRON
admet-2278	95	48	hplc	hplc	PROPN
admet-2278	95	49	and	and	CCONJ
admet-2278	95	50	ce	ce	PROPN
admet-2278	95	51	systems	system	NOUN
admet-2278	95	52	.	.	PUNCT
admet-2278	96	1	an	an	DET
admet-2278	96	2	overview	overview	NOUN
admet-2278	96	3	of	of	ADP
admet-2278	96	4	the	the	DET
admet-2278	96	5	dataset	dataset	NOUN
admet-2278	96	6	was	be	AUX
admet-2278	96	7	performed	perform	VERB
admet-2278	96	8	for	for	ADP
admet-2278	96	9	each	each	DET
admet-2278	96	10	ph	ph	NOUN
admet-2278	96	11	value	value	NOUN
admet-2278	96	12	and	and	CCONJ
admet-2278	96	13	each	each	DET
admet-2278	96	14	chromatographic	chromatographic	ADJ
admet-2278	96	15	or	or	CCONJ
admet-2278	96	16	electrophoretic	electrophoretic	ADJ
admet-2278	96	17	system	system	NOUN
admet-2278	96	18	was	be	AUX
admet-2278	96	19	examined	examine	VERB
admet-2278	96	20	in	in	ADP
admet-2278	96	21	order	order	NOUN
admet-2278	96	22	to	to	PART
admet-2278	96	23	identify	identify	VERB
admet-2278	96	24	and	and	CCONJ
admet-2278	96	25	exclude	exclude	VERB
admet-2278	96	26	possible	possible	ADJ
admet-2278	96	27	outliers	outlier	NOUN
admet-2278	96	28	before	before	ADP
admet-2278	96	29	modelling	model	VERB
admet-2278	96	30	.	.	PUNCT
admet-2278	97	1	for	for	ADP
admet-2278	97	2	this	this	DET
admet-2278	97	3	purpose	purpose	NOUN
admet-2278	97	4	,	,	PUNCT
admet-2278	97	5	the	the	DET
admet-2278	97	6	scatter	scatter	NOUN
admet-2278	97	7	plots	plot	VERB
admet-2278	97	8	in	in	ADP
admet-2278	97	9	the	the	DET
admet-2278	97	10	simca	simca	NOUN
admet-2278	97	11	p	p	PROPN
admet-2278	97	12	12	12	NUM
admet-2278	97	13	+	+	NOUN
admet-2278	97	14	program	program	NOUN
admet-2278	97	15	were	be	AUX
admet-2278	97	16	used	use	VERB
admet-2278	97	17	[	[	PUNCT
admet-2278	97	18	33	33	NUM
admet-2278	97	19	]	]	PUNCT
admet-2278	97	20	,	,	PUNCT
admet-2278	97	21	in	in	ADP
admet-2278	97	22	which	which	PRON
admet-2278	97	23	the	the	DET
admet-2278	97	24	pool	pool	NOUN
admet-2278	97	25	of	of	ADP
admet-2278	97	26	calculated	calculate	VERB
admet-2278	97	27	molecular	molecular	ADJ
admet-2278	97	28	descriptors	descriptor	NOUN
admet-2278	97	29	and	and	CCONJ
admet-2278	97	30	the	the	DET
admet-2278	97	31	response	response	NOUN
admet-2278	97	32	variables	variable	NOUN
admet-2278	97	33	are	be	AUX
admet-2278	97	34	organised	organise	VERB
admet-2278	97	35	as	as	ADP
admet-2278	97	36	an	an	DET
admet-2278	97	37	x	x	NOUN
admet-2278	97	38	-	-	NOUN
admet-2278	97	39	matrix	matrix	NOUN
admet-2278	97	40	.	.	PUNCT
admet-2278	98	1	the	the	DET
admet-2278	98	2	scatter	scatter	NOUN
admet-2278	98	3	plot	plot	NOUN
admet-2278	98	4	t1	t1	NOUN
admet-2278	98	5	vs.	vs.	ADP
admet-2278	98	6	t2	t2	PROPN
admet-2278	98	7	is	be	AUX
admet-2278	98	8	a	a	DET
admet-2278	98	9	window	window	NOUN
admet-2278	98	10	in	in	ADP
admet-2278	98	11	x	x	NOUN
admet-2278	98	12	-	-	NOUN
admet-2278	98	13	space	space	NOUN
admet-2278	98	14	,	,	PUNCT
admet-2278	98	15	showing	show	VERB
admet-2278	98	16	how	how	SCONJ
admet-2278	98	17	the	the	DET
admet-2278	98	18	x	x	PROPN
admet-2278	98	19	observations	observation	NOUN
admet-2278	98	20	relate	relate	VERB
admet-2278	98	21	to	to	ADP
admet-2278	98	22	each	each	DET
admet-2278	98	23	other	other	ADJ
admet-2278	98	24	,	,	PUNCT
admet-2278	98	25	where	where	SCONJ
admet-2278	98	26	t1	t1	NOUN
admet-2278	98	27	and	and	CCONJ
admet-2278	98	28	t2	t2	PROPN
admet-2278	98	29	are	be	AUX
admet-2278	98	30	scores	score	NOUN
admet-2278	98	31	(	(	PUNCT
admet-2278	98	32	one	one	NUM
admet-2278	98	33	vector	vector	NOUN
admet-2278	98	34	for	for	ADP
admet-2278	98	35	each	each	DET
admet-2278	98	36	model	model	NOUN
admet-2278	98	37	dimension	dimension	NOUN
admet-2278	98	38	)	)	PUNCT
admet-2278	98	39	representing	represent	VERB
admet-2278	98	40	new	new	ADJ
admet-2278	98	41	variables	variable	NOUN
admet-2278	98	42	computed	compute	VERB
admet-2278	98	43	as	as	ADP
admet-2278	98	44	linear	linear	ADJ
admet-2278	98	45	combinations	combination	NOUN
admet-2278	98	46	of	of	ADP
admet-2278	98	47	x.	x.	NOUN
admet-2278	98	48	the	the	DET
admet-2278	98	49	score	score	NOUN
admet-2278	98	50	t1	t1	NOUN
admet-2278	98	51	(	(	PUNCT
admet-2278	98	52	first	first	ADJ
admet-2278	98	53	component	component	NOUN
admet-2278	98	54	)	)	PUNCT
admet-2278	98	55	explains	explain	VERB
admet-2278	98	56	the	the	DET
admet-2278	98	57	largest	large	ADJ
admet-2278	98	58	variation	variation	NOUN
admet-2278	98	59	of	of	ADP
admet-2278	98	60	the	the	DET
admet-2278	98	61	x	x	NOUN
admet-2278	98	62	space	space	NOUN
admet-2278	98	63	,	,	PUNCT
admet-2278	98	64	followed	follow	VERB
admet-2278	98	65	by	by	ADP
admet-2278	98	66	t2	t2	NOUN
admet-2278	98	67	and	and	CCONJ
admet-2278	98	68	so	so	ADV
admet-2278	98	69	on	on	ADV
admet-2278	98	70	.	.	PUNCT
admet-2278	99	1	for	for	ADP
admet-2278	99	2	a	a	DET
admet-2278	99	3	twodimensional	twodimensional	ADJ
admet-2278	99	4	score	score	NOUN
admet-2278	99	5	plot	plot	NOUN
admet-2278	99	6	,	,	PUNCT
admet-2278	99	7	the	the	DET
admet-2278	99	8	tolerance	tolerance	NOUN
admet-2278	99	9	ellipse	ellipse	NOUN
admet-2278	99	10	is	be	AUX
admet-2278	99	11	presented	present	VERB
admet-2278	99	12	based	base	VERB
admet-2278	99	13	on	on	ADP
admet-2278	99	14	hotelling	hotelling	NOUN
admet-2278	99	15	's	's	PART
admet-2278	99	16	t2	t2	NOUN
admet-2278	99	17	.	.	PUNCT
admet-2278	100	1	observations	observation	NOUN
admet-2278	100	2	that	that	PRON
admet-2278	100	3	lie	lie	VERB
admet-2278	100	4	outside	outside	ADP
admet-2278	100	5	the	the	DET
admet-2278	100	6	ellipse	ellipse	NOUN
admet-2278	100	7	are	be	AUX
admet-2278	100	8	outliers	outlier	NOUN
admet-2278	100	9	.	.	PUNCT
admet-2278	101	1	the	the	DET
admet-2278	101	2	t	t	PROPN
admet-2278	101	3	-	-	PUNCT
admet-2278	101	4	u	u	NOUN
admet-2278	101	5	plot	plot	NOUN
admet-2278	101	6	(	(	PUNCT
admet-2278	101	7	t1	t1	NOUN
admet-2278	101	8	vs.	vs.	ADP
admet-2278	101	9	u1	u1	NOUN
admet-2278	101	10	)	)	PUNCT
admet-2278	101	11	shows	show	VERB
admet-2278	101	12	the	the	DET
admet-2278	101	13	relationship	relationship	NOUN
admet-2278	101	14	between	between	ADP
admet-2278	101	15	x	x	PROPN
admet-2278	101	16	and	and	CCONJ
admet-2278	101	17	y.	y.	NOUN
admet-2278	101	18	in	in	ADP
admet-2278	101	19	addition	addition	NOUN
admet-2278	101	20	,	,	PUNCT
admet-2278	101	21	the	the	DET
admet-2278	101	22	degree	degree	NOUN
admet-2278	101	23	of	of	ADP
admet-2278	101	24	fit	fit	ADJ
admet-2278	101	25	(	(	PUNCT
admet-2278	101	26	a	a	DET
admet-2278	101	27	good	good	ADJ
admet-2278	101	28	fit	fit	ADJ
admet-2278	101	29	corresponds	correspond	NOUN
admet-2278	101	30	to	to	ADP
admet-2278	101	31	a	a	DET
admet-2278	101	32	small	small	ADJ
admet-2278	101	33	scatter	scatter	NOUN
admet-2278	101	34	around	around	ADP
admet-2278	101	35	the	the	DET
admet-2278	101	36	straight	straight	ADJ
admet-2278	101	37	line	line	NOUN
admet-2278	101	38	)	)	PUNCT
admet-2278	101	39	,	,	PUNCT
admet-2278	101	40	indications	indication	NOUN
admet-2278	101	41	of	of	ADP
admet-2278	101	42	curvature	curvature	NOUN
admet-2278	101	43	and	and	CCONJ
admet-2278	101	44	outliers	outlier	NOUN
admet-2278	101	45	can	can	AUX
admet-2278	101	46	also	also	ADV
admet-2278	101	47	be	be	AUX
admet-2278	101	48	seen	see	VERB
admet-2278	101	49	.	.	PUNCT
admet-2278	102	1	the	the	DET
admet-2278	102	2	u	u	PROPN
admet-2278	102	3	score	score	NOUN
admet-2278	102	4	(	(	PUNCT
admet-2278	102	5	one	one	NUM
admet-2278	102	6	vector	vector	NOUN
admet-2278	102	7	for	for	ADP
admet-2278	102	8	each	each	DET
admet-2278	102	9	model	model	NOUN
admet-2278	102	10	dimension	dimension	NOUN
admet-2278	102	11	)	)	PUNCT
admet-2278	102	12	is	be	AUX
admet-2278	102	13	new	new	ADJ
admet-2278	102	14	variable	variable	ADJ
admet-2278	102	15	summarizing	summarize	VERB
admet-2278	102	16	y	y	PROPN
admet-2278	102	17	,	,	PUNCT
admet-2278	102	18	so	so	SCONJ
admet-2278	102	19	as	as	SCONJ
admet-2278	102	20	to	to	PART
admet-2278	102	21	maximize	maximize	VERB
admet-2278	102	22	the	the	DET
admet-2278	102	23	correlation	correlation	NOUN
admet-2278	102	24	with	with	ADP
admet-2278	102	25	the	the	DET
admet-2278	102	26	scores	score	NOUN
admet-2278	102	27	t.	t.	PROPN
admet-2278	102	28	based	base	VERB
admet-2278	102	29	on	on	ADP
admet-2278	102	30	the	the	DET
admet-2278	102	31	plots	plot	NOUN
admet-2278	102	32	(	(	PUNCT
admet-2278	102	33	t1	t1	NOUN
admet-2278	102	34	vs.	vs.	ADP
admet-2278	102	35	t2	t2	PROPN
admet-2278	102	36	and	and	CCONJ
admet-2278	102	37	t1	t1	NOUN
admet-2278	102	38	vs.	vs.	X
admet-2278	102	39	u1	u1	NOUN
admet-2278	102	40	)	)	PUNCT
admet-2278	102	41	,	,	PUNCT
admet-2278	102	42	the	the	DET
admet-2278	102	43	remaining	remain	VERB
admet-2278	102	44	compounds	compound	NOUN
admet-2278	102	45	were	be	AUX
admet-2278	102	46	distributed	distribute	VERB
admet-2278	102	47	among	among	ADP
admet-2278	102	48	the	the	DET
admet-2278	102	49	training	training	NOUN
admet-2278	102	50	and	and	CCONJ
admet-2278	102	51	test	test	NOUN
admet-2278	102	52	sets	set	VERB
admet-2278	102	53	such	such	ADJ
admet-2278	102	54	that	that	SCONJ
admet-2278	102	55	each	each	DET
admet-2278	102	56	chemical	chemical	NOUN
admet-2278	102	57	group	group	NOUN
admet-2278	102	58	(	(	PUNCT
admet-2278	102	59	i.e.	i.e.	X
admet-2278	102	60	,	,	PUNCT
admet-2278	102	61	guanidine	guanidine	NOUN
admet-2278	102	62	,	,	PUNCT
admet-2278	102	63	2	2	NUM
admet-2278	102	64	-	-	PUNCT
admet-2278	102	65	aminoimidazoline	aminoimidazoline	ADJ
admet-2278	102	66	,	,	PUNCT
admet-2278	102	67	2	2	NUM
admet-2278	102	68	-	-	PUNCT
admet-2278	102	69	arylmethylimidazoline	arylmethylimidazoline	ADJ
admet-2278	102	70	,	,	PUNCT
admet-2278	102	71	phenylethylamine	phenylethylamine	NOUN
admet-2278	102	72	etc	etc	X
admet-2278	102	73	.	.	PUNCT
admet-2278	102	74	)	)	PUNCT
admet-2278	102	75	has	have	VERB
admet-2278	102	76	a	a	DET
admet-2278	102	77	representative	representative	NOUN
admet-2278	102	78	in	in	ADP
admet-2278	102	79	the	the	DET
admet-2278	102	80	test	test	NOUN
admet-2278	102	81	set	set	VERB
admet-2278	102	82	and	and	CCONJ
admet-2278	102	83	the	the	DET
admet-2278	102	84	log	log	NOUN
admet-2278	102	85	kw4.4	kw4.4	VERB
admet-2278	102	86	,	,	PUNCT
admet-2278	102	87	log	log	NOUN
admet-2278	102	88	kw7.4	kw7.4	VERB
admet-2278	102	89	,	,	PUNCT
admet-2278	102	90	log	log	NOUN
admet-2278	102	91	kw9.1	kw9.1	PRON
admet-2278	102	92	,	,	PUNCT
admet-2278	102	93	μeff4.4	μeff4.4	NUM
admet-2278	102	94	,	,	PUNCT
admet-2278	102	95	μeff7.4	μeff7.4	NUM
admet-2278	102	96	and	and	CCONJ
admet-2278	102	97	μeff9.1	μeff9.1	PROPN
admet-2278	102	98	of	of	ADP
admet-2278	102	99	the	the	DET
admet-2278	102	100	compounds	compound	NOUN
admet-2278	102	101	in	in	ADP
admet-2278	102	102	the	the	DET
admet-2278	102	103	test	test	NOUN
admet-2278	102	104	set	set	NOUN
admet-2278	102	105	are	be	AUX
admet-2278	102	106	homogeneously	homogeneously	ADV
admet-2278	102	107	distributed	distribute	VERB
admet-2278	102	108	over	over	ADP
admet-2278	102	109	the	the	DET
admet-2278	102	110	entire	entire	ADJ
admet-2278	102	111	range	range	NOUN
admet-2278	102	112	of	of	ADP
admet-2278	102	113	values	value	NOUN
admet-2278	102	114	of	of	ADP
admet-2278	102	115	log	log	NOUN
admet-2278	102	116	kw4.4	kw4.4	VERB
admet-2278	102	117	,	,	PUNCT
admet-2278	102	118	log	log	VERB
admet-2278	102	119	kw	kw	PROPN
admet-2278	102	120	7.4	7.4	NUM
admet-2278	102	121	,	,	PUNCT
admet-2278	102	122	log	log	NOUN
admet-2278	102	123	kw9.1	kw9.1	PRON
admet-2278	102	124	,	,	PUNCT
admet-2278	102	125	μeff4.4	μeff4.4	NUM
admet-2278	102	126	,	,	PUNCT
admet-2278	102	127	μeff7.4	μeff7.4	NUM
admet-2278	102	128	and	and	CCONJ
admet-2278	102	129	μeff9.1	μeff9.1	NUM
admet-2278	102	130	,	,	PUNCT
admet-2278	102	131	respectively	respectively	ADV
admet-2278	102	132	.	.	PUNCT
admet-2278	103	1	the	the	DET
admet-2278	103	2	selected	select	VERB
admet-2278	103	3	training	training	NOUN
admet-2278	103	4	and	and	CCONJ
admet-2278	103	5	test	test	NOUN
admet-2278	103	6	sets	set	NOUN
admet-2278	103	7	contained	contain	VERB
admet-2278	103	8	at	at	ADP
admet-2278	103	9	least	least	ADV
admet-2278	103	10	20	20	NUM
admet-2278	103	11	compounds	compound	NOUN
admet-2278	103	12	used	use	VERB
admet-2278	103	13	for	for	ADP
admet-2278	103	14	model	model	NOUN
admet-2278	103	15	building	building	NOUN
admet-2278	103	16	and	and	CCONJ
admet-2278	103	17	at	at	ADV
admet-2278	103	18	least	least	ADV
admet-2278	103	19	5	5	NUM
admet-2278	103	20	compounds	compound	NOUN
admet-2278	103	21	used	use	VERB
admet-2278	103	22	for	for	ADP
admet-2278	103	23	external	external	ADJ
admet-2278	103	24	validation	validation	NOUN
admet-2278	103	25	.	.	PUNCT
admet-2278	104	1	in	in	ADP
admet-2278	104	2	order	order	NOUN
admet-2278	104	3	to	to	PART
admet-2278	104	4	perform	perform	VERB
admet-2278	104	5	a	a	DET
admet-2278	104	6	meaningful	meaningful	ADJ
admet-2278	104	7	comparison	comparison	NOUN
admet-2278	104	8	between	between	ADP
admet-2278	104	9	the	the	DET
admet-2278	104	10	different	different	ADJ
admet-2278	104	11	https://doi.org/10.5599/admet.2278	https://doi.org/10.5599/admet.2278	PROPN
admet-2278	104	12	s.	s.	PROPN
admet-2278	104	13	oljacic	oljacic	VERB
admet-2278	104	14	et	et	PROPN
admet-2278	104	15	al	al	PROPN
admet-2278	104	16	.	.	PROPN
admet-2278	104	17	admet	admet	PROPN
admet-2278	104	18	&	&	CCONJ
admet-2278	104	19	dmpk	dmpk	PROPN
admet-2278	104	20	12(5	12(5	NUM
admet-2278	104	21	)	)	PUNCT
admet-2278	104	22	(	(	PUNCT
admet-2278	104	23	2024	2024	NUM
admet-2278	104	24	)	)	PUNCT
admet-2278	104	25	737	737	NUM
admet-2278	104	26	-	-	SYM
admet-2278	104	27	757	757	NUM
admet-2278	104	28	742	742	NUM
admet-2278	104	29	methods	method	NOUN
admet-2278	104	30	(	(	PUNCT
admet-2278	104	31	mlr	mlr	NOUN
admet-2278	104	32	and	and	CCONJ
admet-2278	104	33	pls	pls	INTJ
admet-2278	104	34	)	)	PUNCT
admet-2278	104	35	used	use	VERB
admet-2278	104	36	to	to	PART
admet-2278	104	37	develop	develop	VERB
admet-2278	104	38	the	the	DET
admet-2278	104	39	qsrr	qsrr	NOUN
admet-2278	104	40	models	model	NOUN
admet-2278	104	41	,	,	PUNCT
admet-2278	104	42	the	the	DET
admet-2278	104	43	same	same	ADJ
admet-2278	104	44	training	training	NOUN
admet-2278	104	45	and	and	CCONJ
admet-2278	104	46	test	test	NOUN
admet-2278	104	47	set	set	VERB
admet-2278	104	48	was	be	AUX
admet-2278	104	49	used	use	VERB
admet-2278	104	50	for	for	ADP
admet-2278	104	51	each	each	DET
admet-2278	104	52	ph	ph	NOUN
admet-2278	104	53	value	value	NOUN
admet-2278	104	54	.	.	PUNCT
admet-2278	105	1	therefore	therefore	ADV
admet-2278	105	2	,	,	PUNCT
admet-2278	105	3	six	six	NUM
admet-2278	105	4	independent	independent	ADJ
admet-2278	105	5	training	training	NOUN
admet-2278	105	6	and	and	CCONJ
admet-2278	105	7	test	test	NOUN
admet-2278	105	8	sets	set	NOUN
admet-2278	105	9	were	be	AUX
admet-2278	105	10	created	create	VERB
admet-2278	105	11	,	,	PUNCT
admet-2278	105	12	one	one	NUM
admet-2278	105	13	for	for	ADP
admet-2278	105	14	each	each	DET
admet-2278	105	15	dependent	dependent	ADJ
admet-2278	105	16	variable	variable	NOUN
admet-2278	105	17	(	(	PUNCT
admet-2278	105	18	log	log	NOUN
admet-2278	105	19	kw4.4	kw4.4	VERB
admet-2278	105	20	,	,	PUNCT
admet-2278	105	21	log	log	NOUN
admet-2278	105	22	kw7.4	kw7.4	VERB
admet-2278	105	23	,	,	PUNCT
admet-2278	105	24	log	log	NOUN
admet-2278	105	25	kw9.1	kw9.1	PRON
admet-2278	105	26	,	,	PUNCT
admet-2278	105	27	μeff4.4	μeff4.4	NUM
admet-2278	105	28	,	,	PUNCT
admet-2278	105	29	μeff7.4	μeff7.4	NUM
admet-2278	105	30	and	and	CCONJ
admet-2278	105	31	μeff9.1	μeff9.1	NUM
admet-2278	105	32	)	)	PUNCT
admet-2278	105	33	.	.	PUNCT
admet-2278	106	1	the	the	DET
admet-2278	106	2	predictive	predictive	ADJ
admet-2278	106	3	power	power	NOUN
admet-2278	106	4	and	and	CCONJ
admet-2278	106	5	robustness	robustness	NOUN
admet-2278	106	6	of	of	ADP
admet-2278	106	7	the	the	DET
admet-2278	106	8	models	model	NOUN
admet-2278	106	9	were	be	AUX
admet-2278	106	10	estimated	estimate	VERB
admet-2278	106	11	using	use	VERB
admet-2278	106	12	the	the	DET
admet-2278	106	13	cross	cross	ADJ
admet-2278	106	14	-	-	ADJ
admet-2278	106	15	validated	validated	ADJ
admet-2278	106	16	parameter	parameter	NOUN
admet-2278	106	17	r2	r2	PROPN
admet-2278	106	18	(	(	PUNCT
admet-2278	106	19	q2	q2	NOUN
admet-2278	106	20	)	)	PUNCT
admet-2278	106	21	,	,	PUNCT
admet-2278	106	22	which	which	PRON
admet-2278	106	23	was	be	AUX
admet-2278	106	24	calculated	calculate	VERB
admet-2278	106	25	from	from	ADP
admet-2278	106	26	equation	equation	NOUN
admet-2278	106	27	(	(	PUNCT
admet-2278	106	28	4	4	NUM
admet-2278	106	29	)	)	PUNCT
admet-2278	106	30	:	:	PUNCT
admet-2278	106	31	(	(	PUNCT
admet-2278	106	32	)	)	PUNCT
admet-2278	106	33	2	2	NUM
admet-2278	106	34	2	2	NUM
admet-2278	106	35	trainingobs(training	trainingobs(training	NOUN
admet-2278	106	36	)	)	PUNCT
admet-2278	106	37	press	press	NOUN
admet-2278	106	38	1q	1q	NUM
admet-2278	106	39	y	y	PROPN
admet-2278	106	40	y	y	PROPN
admet-2278	106	41	=	=	PRON
admet-2278	106	42			X
admet-2278	106	43	(	(	PUNCT
admet-2278	106	44	4	4	NUM
admet-2278	106	45	)	)	PUNCT
admet-2278	106	46	in	in	ADP
admet-2278	106	47	equation	equation	NOUN
admet-2278	106	48	(	(	PUNCT
admet-2278	106	49	4	4	NUM
admet-2278	106	50	)	)	PUNCT
admet-2278	106	51	,	,	PUNCT
admet-2278	106	52	press	press	NOUN
admet-2278	106	53	is	be	AUX
admet-2278	106	54	a	a	DET
admet-2278	106	55	parameter	parameter	NOUN
admet-2278	106	56	calculated	calculate	VERB
admet-2278	106	57	using	use	VERB
admet-2278	106	58	the	the	DET
admet-2278	106	59	leave	leave	VERB
admet-2278	106	60	-	-	PUNCT
admet-2278	106	61	one	one	NUM
admet-2278	106	62	-	-	PUNCT
admet-2278	106	63	out	out	NOUN
admet-2278	106	64	(	(	PUNCT
admet-2278	106	65	loo	loo	NOUN
admet-2278	106	66	)	)	PUNCT
admet-2278	106	67	approach	approach	NOUN
admet-2278	106	68	where	where	SCONJ
admet-2278	106	69	each	each	DET
admet-2278	106	70	compound	compound	NOUN
admet-2278	106	71	from	from	ADP
admet-2278	106	72	the	the	DET
admet-2278	106	73	training	training	NOUN
admet-2278	106	74	set	set	NOUN
admet-2278	106	75	was	be	AUX
admet-2278	106	76	deleted	delete	VERB
admet-2278	106	77	once	once	ADV
admet-2278	106	78	and	and	CCONJ
admet-2278	106	79	a	a	DET
admet-2278	106	80	new	new	ADJ
admet-2278	106	81	model	model	NOUN
admet-2278	106	82	was	be	AUX
admet-2278	106	83	created	create	VERB
admet-2278	106	84	with	with	ADP
admet-2278	106	85	the	the	DET
admet-2278	106	86	remaining	remain	VERB
admet-2278	106	87	compounds	compound	NOUN
admet-2278	106	88	and	and	CCONJ
admet-2278	106	89	used	use	VERB
admet-2278	106	90	to	to	PART
admet-2278	106	91	predict	predict	VERB
admet-2278	106	92	the	the	DET
admet-2278	106	93	y	y	NOUN
admet-2278	106	94	-	-	PUNCT
admet-2278	106	95	value	value	NOUN
admet-2278	106	96	of	of	ADP
admet-2278	106	97	the	the	DET
admet-2278	106	98	deleted	delete	VERB
admet-2278	106	99	compound	compound	NOUN
admet-2278	106	100	.	.	PUNCT
admet-2278	107	1	the	the	DET
admet-2278	107	2	procedure	procedure	NOUN
admet-2278	107	3	was	be	AUX
admet-2278	107	4	repeated	repeat	VERB
admet-2278	107	5	until	until	SCONJ
admet-2278	107	6	all	all	DET
admet-2278	107	7	compounds	compound	NOUN
admet-2278	107	8	had	have	AUX
admet-2278	107	9	been	be	AUX
admet-2278	107	10	deleted	delete	VERB
admet-2278	107	11	once	once	ADV
admet-2278	107	12	.	.	PUNCT
admet-2278	108	1	for	for	ADP
admet-2278	108	2	all	all	DET
admet-2278	108	3	created	create	VERB
admet-2278	108	4	models	model	NOUN
admet-2278	108	5	,	,	PUNCT
admet-2278	108	6	the	the	DET
admet-2278	108	7	squared	square	VERB
admet-2278	108	8	sum	sum	NOUN
admet-2278	108	9	of	of	ADP
admet-2278	108	10	the	the	DET
admet-2278	108	11	differences	difference	NOUN
admet-2278	108	12	between	between	ADP
admet-2278	108	13	observed	observed	ADJ
admet-2278	108	14	and	and	CCONJ
admet-2278	108	15	loo	loo	NOUN
admet-2278	108	16	-	-	PUNCT
admet-2278	108	17	predicted	predict	VERB
admet-2278	108	18	values	value	NOUN
admet-2278	108	19	(	(	PUNCT
admet-2278	108	20	e(i	e(i	NOUN
admet-2278	108	21	)	)	PUNCT
admet-2278	108	22	)	)	PUNCT
admet-2278	108	23	(	(	PUNCT
admet-2278	108	24	press	press	NOUN
admet-2278	108	25	)	)	PUNCT
admet-2278	108	26	was	be	AUX
admet-2278	108	27	calculated	calculate	VERB
admet-2278	108	28	according	accord	VERB
admet-2278	108	29	to	to	ADP
admet-2278	108	30	equation	equation	NOUN
admet-2278	108	31	(	(	PUNCT
admet-2278	108	32	5	5	NUM
admet-2278	108	33	):	):	SYM
admet-2278	108	34	2	2	NUM
admet-2278	108	35	1	1	NUM
admet-2278	108	36	press	press	NOUN
admet-2278	109	1	n	n	NOUN
admet-2278	110	1	i	i	PRON
admet-2278	110	2	i	i	NOUN
admet-2278	110	3	e	e	NOUN
admet-2278	110	4	=	=	PUNCT
admet-2278	111	1	=	=	NOUN
admet-2278	111	2			X
admet-2278	111	3	(	(	PUNCT
admet-2278	111	4	5	5	X
admet-2278	111	5	)	)	PUNCT
admet-2278	111	6	the	the	DET
admet-2278	111	7	models	model	NOUN
admet-2278	111	8	with	with	ADP
admet-2278	111	9	q2	q2	PROPN
admet-2278	111	10	≥	≥	NUM
admet-2278	111	11	0.5	0.5	NUM
admet-2278	111	12	can	can	AUX
admet-2278	111	13	be	be	AUX
admet-2278	111	14	considered	consider	VERB
admet-2278	111	15	to	to	PART
admet-2278	111	16	have	have	VERB
admet-2278	111	17	good	good	ADJ
admet-2278	111	18	predictive	predictive	ADJ
admet-2278	111	19	capability	capability	NOUN
admet-2278	111	20	[	[	X
admet-2278	111	21	34	34	NUM
admet-2278	111	22	]	]	PUNCT
admet-2278	111	23	.	.	PUNCT
admet-2278	112	1	the	the	DET
admet-2278	112	2	root	root	NOUN
admet-2278	112	3	mean	mean	VERB
admet-2278	112	4	squared	square	VERB
admet-2278	112	5	error	error	NOUN
admet-2278	112	6	of	of	ADP
admet-2278	112	7	estimation	estimation	NOUN
admet-2278	112	8	(	(	PUNCT
admet-2278	112	9	rmsee	rmsee	NOUN
admet-2278	112	10	)	)	PUNCT
admet-2278	112	11	was	be	AUX
admet-2278	112	12	calculated	calculate	VERB
admet-2278	112	13	to	to	PART
admet-2278	112	14	characterize	characterize	VERB
admet-2278	112	15	the	the	DET
admet-2278	112	16	predictive	predictive	ADJ
admet-2278	112	17	ability	ability	NOUN
admet-2278	112	18	of	of	ADP
admet-2278	112	19	the	the	DET
admet-2278	112	20	models	model	NOUN
admet-2278	112	21	for	for	ADP
admet-2278	112	22	the	the	DET
admet-2278	112	23	compounds	compound	NOUN
admet-2278	112	24	in	in	ADP
admet-2278	112	25	the	the	DET
admet-2278	112	26	training	training	NOUN
admet-2278	112	27	set	set	NOUN
admet-2278	112	28	,	,	PUNCT
admet-2278	112	29	equations	equation	NOUN
admet-2278	112	30	(	(	PUNCT
admet-2278	112	31	6	6	NUM
admet-2278	112	32	)	)	PUNCT
admet-2278	112	33	:	:	PUNCT
admet-2278	112	34	(	(	PUNCT
admet-2278	112	35	)	)	PUNCT
admet-2278	112	36	2	2	NUM
admet-2278	112	37	obs(training	obs(training	NOUN
admet-2278	112	38	)	)	PUNCT
admet-2278	112	39	pred(training	pred(training	NOUN
admet-2278	112	40	)	)	PUNCT
admet-2278	112	41	1	1	NUM
admet-2278	112	42	rmsee	rmsee	NOUN
admet-2278	112	43	n	n	PROPN
admet-2278	113	1	i	i	PRON
admet-2278	113	2	y	y	VERB
admet-2278	113	3	y	y	PROPN
admet-2278	113	4	n	n	PROPN
admet-2278	113	5	=	=	NOUN
admet-2278	113	6	=	=	X
admet-2278	113	7			X
admet-2278	113	8	(	(	PUNCT
admet-2278	113	9	6	6	NUM
admet-2278	113	10	)	)	PUNCT
admet-2278	113	11	where	where	SCONJ
admet-2278	113	12	n	n	PRON
admet-2278	113	13	is	be	AUX
admet-2278	113	14	the	the	DET
admet-2278	113	15	number	number	NOUN
admet-2278	113	16	of	of	ADP
admet-2278	113	17	compounds	compound	NOUN
admet-2278	113	18	in	in	ADP
admet-2278	113	19	the	the	DET
admet-2278	113	20	training	training	NOUN
admet-2278	113	21	set	set	NOUN
admet-2278	113	22	,	,	PUNCT
admet-2278	113	23	while	while	SCONJ
admet-2278	113	24	yobs(training	yobs(training	PROPN
admet-2278	113	25	)	)	PUNCT
admet-2278	113	26	and	and	CCONJ
admet-2278	113	27	ypred(training	ypred(training	NOUN
admet-2278	113	28	)	)	PUNCT
admet-2278	113	29	denote	denote	VERB
admet-2278	113	30	the	the	DET
admet-2278	113	31	experimental	experimental	ADJ
admet-2278	113	32	and	and	CCONJ
admet-2278	113	33	predicted	predict	VERB
admet-2278	113	34	values	value	NOUN
admet-2278	113	35	for	for	ADP
admet-2278	113	36	the	the	DET
admet-2278	113	37	compounds	compound	NOUN
admet-2278	113	38	in	in	ADP
admet-2278	113	39	the	the	DET
admet-2278	113	40	training	training	NOUN
admet-2278	113	41	set	set	NOUN
admet-2278	113	42	.	.	PUNCT
admet-2278	114	1	in	in	ADP
admet-2278	114	2	addition	addition	NOUN
admet-2278	114	3	to	to	ADP
admet-2278	114	4	internal	internal	ADJ
admet-2278	114	5	validation	validation	NOUN
admet-2278	114	6	,	,	PUNCT
admet-2278	114	7	the	the	DET
admet-2278	114	8	predictive	predictive	ADJ
admet-2278	114	9	power	power	NOUN
admet-2278	114	10	of	of	ADP
admet-2278	114	11	all	all	DET
admet-2278	114	12	created	create	VERB
admet-2278	114	13	models	model	NOUN
admet-2278	114	14	was	be	AUX
admet-2278	114	15	estimated	estimate	VERB
admet-2278	114	16	by	by	ADP
admet-2278	114	17	external	external	ADJ
admet-2278	114	18	validation	validation	NOUN
admet-2278	114	19	using	use	VERB
admet-2278	114	20	the	the	DET
admet-2278	114	21	following	follow	VERB
admet-2278	114	22	parameters	parameter	NOUN
admet-2278	114	23	in	in	ADP
admet-2278	114	24	equations	equation	NOUN
admet-2278	114	25	(	(	PUNCT
admet-2278	114	26	7	7	NUM
admet-2278	114	27	)	)	PUNCT
admet-2278	114	28	and	and	CCONJ
admet-2278	114	29	(	(	PUNCT
admet-2278	114	30	8)	8)	NUM
admet-2278	114	31	:	:	PUNCT
admet-2278	114	32	(	(	PUNCT
admet-2278	114	33	)	)	PUNCT
admet-2278	114	34	2	2	NUM
admet-2278	114	35	obs(test	obs(test	NUM
admet-2278	114	36	)	)	PUNCT
admet-2278	114	37	pred(test	pred(test	NOUN
admet-2278	114	38	1	1	NUM
admet-2278	114	39	rmsep	rmsep	NOUN
admet-2278	115	1	n	n	INTJ
admet-2278	116	1	i	i	PRON
admet-2278	116	2	y	y	VERB
admet-2278	116	3	y	y	PROPN
admet-2278	116	4	n	n	PROPN
admet-2278	116	5	=	=	NOUN
admet-2278	116	6	=	=	X
admet-2278	116	7			X
admet-2278	116	8	(	(	PUNCT
admet-2278	116	9	7	7	X
admet-2278	116	10	)	)	PUNCT
admet-2278	116	11	where	where	SCONJ
admet-2278	116	12	rmsep	rmsep	NOUN
admet-2278	116	13	is	be	AUX
admet-2278	116	14	the	the	DET
admet-2278	116	15	root	root	NOUN
admet-2278	116	16	mean	mean	ADJ
admet-2278	116	17	square	square	ADJ
admet-2278	116	18	error	error	NOUN
admet-2278	116	19	of	of	ADP
admet-2278	116	20	prediction	prediction	NOUN
admet-2278	116	21	,	,	PUNCT
admet-2278	116	22	n	n	X
admet-2278	116	23	is	be	AUX
admet-2278	116	24	the	the	DET
admet-2278	116	25	number	number	NOUN
admet-2278	116	26	of	of	ADP
admet-2278	116	27	compounds	compound	NOUN
admet-2278	116	28	in	in	ADP
admet-2278	116	29	the	the	DET
admet-2278	116	30	test	test	NOUN
admet-2278	116	31	set	set	NOUN
admet-2278	116	32	,	,	PUNCT
admet-2278	116	33	while	while	SCONJ
admet-2278	116	34	yobs(test	yobs(test	PROPN
admet-2278	116	35	)	)	PUNCT
admet-2278	116	36	and	and	CCONJ
admet-2278	116	37	ypred(test	ypred(test	PROPN
admet-2278	116	38	)	)	PUNCT
admet-2278	116	39	are	be	AUX
admet-2278	116	40	the	the	DET
admet-2278	116	41	experimental	experimental	ADJ
admet-2278	116	42	and	and	CCONJ
admet-2278	116	43	predicted	predict	VERB
admet-2278	116	44	values	value	NOUN
admet-2278	116	45	for	for	ADP
admet-2278	116	46	the	the	DET
admet-2278	116	47	compounds	compound	NOUN
admet-2278	116	48	in	in	ADP
admet-2278	116	49	the	the	DET
admet-2278	116	50	test	test	NOUN
admet-2278	116	51	set	set	NOUN
admet-2278	116	52	.	.	PUNCT
admet-2278	117	1	(	(	PUNCT
admet-2278	117	2	)	)	PUNCT
admet-2278	117	3	(	(	PUNCT
admet-2278	117	4	)	)	PUNCT
admet-2278	117	5	2	2	NUM
admet-2278	117	6	obs(test	obs(test	NUM
admet-2278	117	7	)	)	PUNCT
admet-2278	117	8	pred(test)2	pred(test)2	NOUN
admet-2278	117	9	pred	pre	VERB
admet-2278	117	10	2	2	NUM
admet-2278	117	11	trainingobs(test	trainingobs(test	PROPN
admet-2278	117	12	)	)	PUNCT
admet-2278	117	13	1y	1y	PROPN
admet-2278	118	1	y	y	NOUN
admet-2278	118	2	r	r	NOUN
admet-2278	118	3	y	y	PROPN
admet-2278	118	4	y	y	NOUN
admet-2278	118	5	−	−	PROPN
admet-2278	119	1	=	=	SYM
admet-2278	119	2	−	−	PROPN
admet-2278	119	3			X
admet-2278	119	4			X
admet-2278	119	5	(	(	PUNCT
admet-2278	119	6	8)	8)	NUM
admet-2278	119	7	where	where	SCONJ
admet-2278	119	8	ypred(test	ypred(test	PROPN
admet-2278	119	9	)	)	PUNCT
admet-2278	119	10	and	and	CCONJ
admet-2278	119	11	yobs(test	yobs(test	PROPN
admet-2278	119	12	)	)	PUNCT
admet-2278	119	13	are	be	AUX
admet-2278	119	14	the	the	DET
admet-2278	119	15	predicted	predict	VERB
admet-2278	119	16	and	and	CCONJ
admet-2278	119	17	observed	observed	ADJ
admet-2278	119	18	values	value	NOUN
admet-2278	119	19	of	of	ADP
admet-2278	119	20	the	the	DET
admet-2278	119	21	dependent	dependent	ADJ
admet-2278	119	22	variables	variable	NOUN
admet-2278	119	23	of	of	ADP
admet-2278	119	24	the	the	DET
admet-2278	119	25	compounds	compound	NOUN
admet-2278	119	26	in	in	ADP
admet-2278	119	27	the	the	DET
admet-2278	119	28	test	test	NOUN
admet-2278	119	29	set	set	NOUN
admet-2278	119	30	,	,	PUNCT
admet-2278	119	31	respectively	respectively	ADV
admet-2278	119	32	,	,	PUNCT
admet-2278	119	33	and	and	CCONJ
admet-2278	119	34	trainingy	trainingy	NOUN
admet-2278	119	35	indicates	indicate	VERB
admet-2278	119	36	the	the	DET
admet-2278	119	37	mean	mean	ADJ
admet-2278	119	38	values	value	NOUN
admet-2278	119	39	of	of	ADP
admet-2278	119	40	the	the	DET
admet-2278	119	41	dependent	dependent	ADJ
admet-2278	119	42	variables	variable	NOUN
admet-2278	119	43	of	of	ADP
admet-2278	119	44	the	the	DET
admet-2278	119	45	compounds	compound	NOUN
admet-2278	119	46	in	in	ADP
admet-2278	119	47	the	the	DET
admet-2278	119	48	training	training	NOUN
admet-2278	119	49	set	set	NOUN
admet-2278	119	50	.	.	PUNCT
admet-2278	120	1	for	for	ADP
admet-2278	120	2	a	a	DET
admet-2278	120	3	predictive	predictive	ADJ
admet-2278	120	4	qsrr	qsrr	NOUN
admet-2278	120	5	/	/	SYM
admet-2278	120	6	qsmr	qsmr	NOUN
admet-2278	120	7	model	model	NOUN
admet-2278	120	8	,	,	PUNCT
admet-2278	120	9	the	the	DET
admet-2278	120	10	r2	r2	PROPN
admet-2278	120	11	pred	pred	ADJ
admet-2278	120	12	value	value	NOUN
admet-2278	120	13	should	should	AUX
admet-2278	120	14	be	be	AUX
admet-2278	120	15	higher	high	ADJ
admet-2278	120	16	than	than	ADP
admet-2278	120	17	0.5	0.5	NUM
admet-2278	120	18	[	[	SYM
admet-2278	120	19	35	35	NUM
admet-2278	120	20	]	]	PUNCT
admet-2278	120	21	.	.	PUNCT
admet-2278	121	1	the	the	DET
admet-2278	121	2	rigorous	rigorous	ADJ
admet-2278	121	3	external	external	ADJ
admet-2278	121	4	validation	validation	NOUN
admet-2278	121	5	parameters	parameter	NOUN
admet-2278	121	6	proposed	propose	VERB
admet-2278	121	7	by	by	ADP
admet-2278	121	8	roy	roy	PROPN
admet-2278	121	9	(	(	PUNCT
admet-2278	121	10	2	2	NUM
admet-2278	121	11	2	2	NUM
admet-2278	121	12	2	2	NUM
admet-2278	121	13	2	2	NUM
admet-2278	121	14	m	m	NOUN
admet-2278	121	15	m	m	NOUN
admet-2278	121	16	m	m	ADJ
admet-2278	121	17	,	,	PUNCT
admet-2278	121	18	,	,	PUNCT
admet-2278	121	19	mr	mr	PROPN
admet-2278	121	20	r	r	PROPN
admet-2278	121	21	r	r	NOUN
admet-2278	121	22	r	r	NOUN
admet-2278	121	23			NOUN
admet-2278	121	24	)	)	PUNCT
admet-2278	122	1	[	[	X
admet-2278	122	2	24	24	NUM
admet-2278	122	3	]	]	PUNCT
admet-2278	122	4	and	and	CCONJ
admet-2278	122	5	golbraikh	golbraikh	NOUN
admet-2278	122	6	and	and	CCONJ
admet-2278	122	7	tropsha	tropsha	PROPN
admet-2278	122	8	[	[	X
admet-2278	122	9	22,23	22,23	NOUN
admet-2278	122	10	]	]	PUNCT
admet-2278	122	11	were	be	AUX
admet-2278	122	12	also	also	ADV
admet-2278	122	13	applied	apply	VERB
admet-2278	122	14	to	to	ADP
admet-2278	122	15	all	all	DET
admet-2278	122	16	created	create	VERB
admet-2278	122	17	models	model	NOUN
admet-2278	122	18	and	and	CCONJ
admet-2278	122	19	were	be	AUX
admet-2278	122	20	used	use	VERB
admet-2278	122	21	to	to	PART
admet-2278	122	22	select	select	VERB
admet-2278	122	23	the	the	DET
admet-2278	122	24	most	most	ADV
admet-2278	122	25	reliable	reliable	ADJ
admet-2278	122	26	models	model	NOUN
admet-2278	122	27	for	for	ADP
admet-2278	122	28	the	the	DET
admet-2278	122	29	prediction	prediction	NOUN
admet-2278	122	30	of	of	ADP
admet-2278	122	31	chromatographic	chromatographic	ADJ
admet-2278	122	32	and	and	CCONJ
admet-2278	122	33	electrophoretic	electrophoretic	ADJ
admet-2278	122	34	behaviour	behaviour	NOUN
admet-2278	122	35	at	at	ADP
admet-2278	122	36	each	each	DET
admet-2278	122	37	ph	ph	NOUN
admet-2278	122	38	value	value	NOUN
admet-2278	122	39	.	.	PUNCT
admet-2278	123	1	according	accord	VERB
admet-2278	123	2	to	to	ADP
admet-2278	123	3	ojha	ojha	NOUN
admet-2278	123	4	and	and	CCONJ
admet-2278	123	5	roy	roy	PROPN
admet-2278	123	6	[	[	X
admet-2278	123	7	35	35	NUM
admet-2278	123	8	]	]	X
admet-2278	123	9	,	,	PUNCT
admet-2278	123	10	2	2	NUM
admet-2278	123	11	mr	mr	PROPN
admet-2278	123	12	is	be	AUX
admet-2278	123	13	validation	validation	NOUN
admet-2278	123	14	metric	metric	ADJ
admet-2278	123	15	calculated	calculate	VERB
admet-2278	123	16	according	accord	VERB
admet-2278	123	17	to	to	ADP
admet-2278	123	18	equation	equation	NOUN
admet-2278	123	19	(	(	PUNCT
admet-2278	123	20	9	9	X
admet-2278	123	21	)	)	PUNCT
admet-2278	123	22	using	use	VERB
admet-2278	123	23	observed	observe	VERB
admet-2278	123	24	(	(	PUNCT
admet-2278	123	25	y	y	NOUN
admet-2278	123	26	-	-	PUNCT
admet-2278	123	27	axis	axis	NOUN
admet-2278	123	28	)	)	PUNCT
admet-2278	123	29	and	and	CCONJ
admet-2278	123	30	predicted	predict	VERB
admet-2278	123	31	(	(	PUNCT
admet-2278	123	32	x	x	NOUN
admet-2278	123	33	-	-	ADJ
admet-2278	123	34	axis	axis	ADJ
admet-2278	123	35	)	)	PUNCT
admet-2278	123	36	values	value	NOUN
admet-2278	123	37	:	:	PUNCT
admet-2278	123	38	(	(	PUNCT
admet-2278	123	39	)	)	SYM
admet-2278	123	40	2	2	NUM
admet-2278	123	41	2	2	NUM
admet-2278	123	42	2	2	NUM
admet-2278	123	43	2	2	NUM
admet-2278	123	44	m	m	NOUN
admet-2278	123	45	01-	01-	NOUN
admet-2278	123	46	 	 	SPACE
admet-2278	123	47	r	r	NOUN
admet-2278	123	48	r	r	NOUN
admet-2278	123	49	r	r	NOUN
admet-2278	123	50	r−=	r−=	PROPN
admet-2278	123	51	(	(	PUNCT
admet-2278	123	52	9	9	NUM
admet-2278	123	53	)	)	PUNCT
admet-2278	123	54	admet	admet	NOUN
admet-2278	123	55	&	&	CCONJ
admet-2278	123	56	dmpk	dmpk	PROPN
admet-2278	123	57	12(5	12(5	NUM
admet-2278	123	58	)	)	PUNCT
admet-2278	123	59	(	(	PUNCT
admet-2278	123	60	2024	2024	NUM
admet-2278	123	61	)	)	PUNCT
admet-2278	123	62	737	737	NUM
admet-2278	123	63	-	-	SYM
admet-2278	123	64	757	757	NUM
admet-2278	123	65	imidazoline	imidazoline	NOUN
admet-2278	123	66	and	and	CCONJ
admet-2278	123	67	alpha	alpha	NOUN
admet-2278	123	68	adrenergic	adrenergic	NOUN
admet-2278	123	69	receptors	receptor	NOUN
admet-2278	123	70	ligands	ligand	NOUN
admet-2278	123	71	doi	doi	NOUN
admet-2278	123	72	:	:	PUNCT
admet-2278	123	73	https://doi.org/10.5599/admet.2278	https://doi.org/10.5599/admet.2278	PROPN
admet-2278	123	74	743	743	NUM
admet-2278	123	75	where	where	SCONJ
admet-2278	123	76	r2	r2	PROPN
admet-2278	123	77	is	be	AUX
admet-2278	123	78	the	the	DET
admet-2278	123	79	determination	determination	NOUN
admet-2278	123	80	coefficient	coefficient	NOUN
admet-2278	123	81	for	for	ADP
admet-2278	123	82	the	the	DET
admet-2278	123	83	least	least	ADJ
admet-2278	123	84	squares	square	NOUN
admet-2278	123	85	regression	regression	NOUN
admet-2278	123	86	line	line	NOUN
admet-2278	123	87	(	(	PUNCT
admet-2278	123	88	with	with	ADP
admet-2278	123	89	intercept	intercept	NOUN
admet-2278	123	90	)	)	PUNCT
admet-2278	123	91	correlating	correlate	VERB
admet-2278	123	92	observed	observed	ADJ
admet-2278	123	93	(	(	PUNCT
admet-2278	123	94	y	y	NOUN
admet-2278	123	95	-	-	PUNCT
admet-2278	123	96	axis	axis	NOUN
admet-2278	123	97	)	)	PUNCT
admet-2278	123	98	and	and	CCONJ
admet-2278	123	99	predicted	predict	VERB
admet-2278	123	100	(	(	PUNCT
admet-2278	123	101	x	x	NOUN
admet-2278	123	102	-	-	ADJ
admet-2278	123	103	axis	axis	ADJ
admet-2278	123	104	)	)	PUNCT
admet-2278	123	105	values	value	NOUN
admet-2278	123	106	and	and	CCONJ
admet-2278	123	107	2	2	NUM
admet-2278	123	108	0r	0r	X
admet-2278	123	109	is	be	AUX
admet-2278	123	110	the	the	DET
admet-2278	123	111	determination	determination	NOUN
admet-2278	123	112	coefficient	coefficient	NOUN
admet-2278	123	113	for	for	ADP
admet-2278	123	114	the	the	DET
admet-2278	123	115	least	least	ADJ
admet-2278	123	116	squares	square	NOUN
admet-2278	123	117	regression	regression	NOUN
admet-2278	123	118	line	line	NOUN
admet-2278	123	119	(	(	PUNCT
admet-2278	123	120	without	without	ADP
admet-2278	123	121	intercept	intercept	NOUN
admet-2278	123	122	)	)	PUNCT
admet-2278	123	123	correlating	correlate	VERB
admet-2278	123	124	observed	observed	ADJ
admet-2278	123	125	(	(	PUNCT
admet-2278	123	126	y	y	NOUN
admet-2278	123	127	-	-	PUNCT
admet-2278	123	128	axis	axis	NOUN
admet-2278	123	129	)	)	PUNCT
admet-2278	123	130	and	and	CCONJ
admet-2278	123	131	predicted	predict	VERB
admet-2278	123	132	(	(	PUNCT
admet-2278	123	133	x	x	NOUN
admet-2278	123	134	-	-	ADJ
admet-2278	123	135	axis	axis	ADJ
admet-2278	123	136	)	)	PUNCT
admet-2278	123	137	values	value	NOUN
admet-2278	123	138	,	,	PUNCT
admet-2278	123	139	2	2	NUM
admet-2278	123	140	mr	mr	NOUN
admet-2278	123	141	is	be	AUX
admet-2278	123	142	validation	validation	NOUN
admet-2278	123	143	metric	metric	ADJ
admet-2278	123	144	calculated	calculate	VERB
admet-2278	123	145	according	accord	VERB
admet-2278	123	146	to	to	ADP
admet-2278	123	147	equation	equation	NOUN
admet-2278	123	148	(	(	PUNCT
admet-2278	123	149	10	10	NUM
admet-2278	123	150	)	)	PUNCT
admet-2278	123	151	using	use	VERB
admet-2278	123	152	observed	observe	VERB
admet-2278	123	153	(	(	PUNCT
admet-2278	123	154	x	x	NOUN
admet-2278	123	155	-	-	NOUN
admet-2278	123	156	axis	axis	NOUN
admet-2278	123	157	)	)	PUNCT
admet-2278	123	158	and	and	CCONJ
admet-2278	123	159	predicted	predict	VERB
admet-2278	123	160	(	(	PUNCT
admet-2278	123	161	y	y	NOUN
admet-2278	123	162	-	-	PUNCT
admet-2278	123	163	axis	axis	ADJ
admet-2278	123	164	)	)	PUNCT
admet-2278	123	165	values	value	NOUN
admet-2278	123	166	(	(	PUNCT
admet-2278	123	167	)	)	PUNCT
admet-2278	123	168	2	2	NUM
admet-2278	123	169	2	2	NUM
admet-2278	123	170	m	m	NOUN
admet-2278	123	171	0	0	NUM
admet-2278	123	172	2	2	NUM
admet-2278	123	173	21-	21-	NUM
admet-2278	123	174	  	  	SPACE
admet-2278	123	175	-r	-r	NOUN
admet-2278	123	176	rrr	rrr	PROPN
admet-2278	123	177	=	=	PROPN
admet-2278	123	178	(	(	PUNCT
admet-2278	123	179	10	10	NUM
admet-2278	123	180	)	)	PUNCT
admet-2278	123	181	where	where	SCONJ
admet-2278	123	182	2	2	NUM
admet-2278	123	183	0r	0r	NUM
admet-2278	123	184	is	be	AUX
admet-2278	123	185	the	the	DET
admet-2278	123	186	determination	determination	NOUN
admet-2278	123	187	coefficient	coefficient	NOUN
admet-2278	123	188	for	for	ADP
admet-2278	123	189	the	the	DET
admet-2278	123	190	least	least	ADJ
admet-2278	123	191	squares	square	NOUN
admet-2278	123	192	regression	regression	NOUN
admet-2278	123	193	line	line	NOUN
admet-2278	123	194	(	(	PUNCT
admet-2278	123	195	without	without	ADP
admet-2278	123	196	intercept	intercept	NOUN
admet-2278	123	197	)	)	PUNCT
admet-2278	123	198	correlating	correlate	VERB
admet-2278	123	199	observed	observed	ADJ
admet-2278	123	200	(	(	PUNCT
admet-2278	123	201	x	x	NOUN
admet-2278	123	202	-	-	NOUN
admet-2278	123	203	axis	axis	NOUN
admet-2278	123	204	)	)	PUNCT
admet-2278	123	205	and	and	CCONJ
admet-2278	123	206	predicted	predict	VERB
admet-2278	123	207	(	(	PUNCT
admet-2278	123	208	y	y	NOUN
admet-2278	123	209	-	-	PUNCT
admet-2278	123	210	axis	axis	ADJ
admet-2278	123	211	)	)	PUNCT
admet-2278	123	212	values	value	NOUN
admet-2278	123	213	.	.	PUNCT
admet-2278	124	1	2	2	NUM
admet-2278	124	2	m	m	NOUN
admet-2278	124	3	 	 	SPACE
admet-2278	124	4	r	r	NOUN
admet-2278	124	5	is	be	AUX
admet-2278	124	6	average	average	ADJ
admet-2278	124	7	of	of	ADP
admet-2278	124	8	2	2	NUM
admet-2278	124	9	mr	mr	PROPN
admet-2278	124	10	and	and	CCONJ
admet-2278	124	11	2	2	NUM
admet-2278	124	12	mr	mr	NOUN
admet-2278	124	13	,	,	PUNCT
admet-2278	124	14	while	while	SCONJ
admet-2278	124	15	2	2	NUM
admet-2278	124	16	mr	mr	NOUN
admet-2278	124	17	is	be	AUX
admet-2278	124	18	the	the	DET
admet-2278	124	19	absolute	absolute	ADJ
admet-2278	124	20	difference	difference	NOUN
admet-2278	124	21	between	between	ADP
admet-2278	124	22	2	2	NUM
admet-2278	124	23	mr	mr	NOUN
admet-2278	124	24	and	and	CCONJ
admet-2278	124	25	2	2	NUM
admet-2278	124	26	mr	mr	NOUN
admet-2278	124	27	.	.	PUNCT
admet-2278	125	1	models	model	NOUN
admet-2278	125	2	were	be	AUX
admet-2278	125	3	considered	consider	VERB
admet-2278	125	4	acceptable	acceptable	ADJ
admet-2278	125	5	if	if	SCONJ
admet-2278	125	6	they	they	PRON
admet-2278	125	7	met	meet	VERB
admet-2278	125	8	all	all	PRON
admet-2278	125	9	of	of	ADP
admet-2278	125	10	the	the	DET
admet-2278	125	11	following	following	ADJ
admet-2278	125	12	conditions	condition	NOUN
admet-2278	125	13	:	:	PUNCT
admet-2278	125	14	a.	a.	NOUN
admet-2278	125	15	the	the	DET
admet-2278	125	16	values	value	NOUN
admet-2278	125	17	of	of	ADP
admet-2278	125	18	2	2	NUM
admet-2278	125	19	mr	mr	PROPN
admet-2278	125	20	and	and	CCONJ
admet-2278	125	21	2	2	NUM
admet-2278	125	22	mr	mr	NOUN
admet-2278	125	23	should	should	AUX
admet-2278	125	24	be	be	AUX
admet-2278	125	25	close	close	ADJ
admet-2278	125	26	to	to	ADP
admet-2278	125	27	each	each	DET
admet-2278	125	28	other	other	ADJ
admet-2278	125	29	and	and	CCONJ
admet-2278	125	30	2	2	NUM
admet-2278	125	31	mr	mr	NOUN
admet-2278	125	32	should	should	AUX
admet-2278	125	33	be	be	AUX
admet-2278	125	34	greater	great	ADJ
admet-2278	125	35	than	than	ADP
admet-2278	125	36	0.5	0.5	NUM
admet-2278	125	37	;	;	PUNCT
admet-2278	125	38	b.	b.	PROPN
admet-2278	125	39	2	2	NUM
admet-2278	125	40	mr	mr	NOUN
admet-2278	125	41	should	should	AUX
admet-2278	125	42	be	be	AUX
admet-2278	125	43	less	less	ADJ
admet-2278	125	44	than	than	ADP
admet-2278	125	45	0.2	0.2	NUM
admet-2278	126	1	[	[	X
admet-2278	126	2	24	24	NUM
admet-2278	126	3	]	]	PUNCT
admet-2278	126	4	.	.	PUNCT
admet-2278	127	1	according	accord	VERB
admet-2278	127	2	to	to	ADP
admet-2278	127	3	criteria	criterion	NOUN
admet-2278	127	4	proposed	propose	VERB
admet-2278	127	5	by	by	ADP
admet-2278	127	6	golbraikh	golbraikh	NOUN
admet-2278	127	7	and	and	CCONJ
admet-2278	127	8	tropsha	tropsha	PROPN
admet-2278	127	9	,	,	PUNCT
admet-2278	127	10	following	follow	VERB
admet-2278	127	11	conditions	condition	NOUN
admet-2278	127	12	should	should	AUX
admet-2278	127	13	be	be	AUX
admet-2278	127	14	achieved	achieve	VERB
admet-2278	127	15	:	:	PUNCT
admet-2278	127	16	(	(	PUNCT
admet-2278	127	17	i	i	NOUN
admet-2278	127	18	)	)	PUNCT
admet-2278	127	19	q2	q2	NOUN
admet-2278	127	20	>	>	X
admet-2278	127	21	0.5	0.5	NUM
admet-2278	127	22	;	;	PUNCT
admet-2278	127	23	(	(	PUNCT
admet-2278	127	24	ii	ii	NOUN
admet-2278	127	25	)	)	PUNCT
admet-2278	127	26	r2	r2	PROPN
admet-2278	127	27	>	>	X
admet-2278	127	28	0.6	0.6	NUM
admet-2278	127	29	,	,	PUNCT
admet-2278	127	30	(	(	PUNCT
admet-2278	127	31	iii	iii	NOUN
admet-2278	127	32	)	)	PUNCT
admet-2278	128	1	[	[	X
admet-2278	128	2	(	(	PUNCT
admet-2278	128	3	r2	r2	PROPN
admet-2278	128	4	r0	r0	NOUN
admet-2278	128	5	2	2	NUM
admet-2278	128	6	)	)	PUNCT
admet-2278	128	7	/	/	SYM
admet-2278	128	8	r2	r2	PROPN
admet-2278	128	9	]	]	PUNCT
admet-2278	128	10	<	<	X
admet-2278	128	11	0.1	0.1	NUM
admet-2278	128	12	or	or	CCONJ
admet-2278	128	13	[	[	X
admet-2278	128	14	(	(	PUNCT
admet-2278	128	15	r2	r2	PROPN
admet-2278	128	16	r'02	r'02	NOUN
admet-2278	128	17	)	)	PUNCT
admet-2278	128	18	/	/	SYM
admet-2278	128	19	r2	r2	PROPN
admet-2278	128	20	]	]	PUNCT
admet-2278	128	21	<	<	X
admet-2278	128	22	0.1	0.1	NUM
admet-2278	128	23	;	;	PUNCT
admet-2278	128	24	(	(	PUNCT
admet-2278	128	25	iv	iv	X
admet-2278	128	26	)	)	PUNCT
admet-2278	128	27	0.85	0.85	NUM
admet-2278	128	28	≤	≤	NUM
admet-2278	129	1	k	k	PROPN
admet-2278	129	2	≤	≤	NUM
admet-2278	129	3	1.15	1.15	NUM
admet-2278	129	4	or	or	CCONJ
admet-2278	129	5	0.85	0.85	NUM
admet-2278	129	6	≤	≤	NUM
admet-2278	129	7	k	k	X
admet-2278	129	8	'	'	PUNCT
admet-2278	129	9	≤	≤	NUM
admet-2278	129	10	1.15	1.15	NUM
admet-2278	129	11	where	where	SCONJ
admet-2278	129	12	q2	q2	NOUN
admet-2278	129	13	is	be	AUX
admet-2278	129	14	the	the	DET
admet-2278	129	15	cross	cross	ADJ
admet-2278	129	16	-	-	ADJ
admet-2278	129	17	validated	validated	ADJ
admet-2278	129	18	correlation	correlation	NOUN
admet-2278	129	19	coefficient	coefficient	NOUN
admet-2278	129	20	calculated	calculate	VERB
admet-2278	129	21	for	for	ADP
admet-2278	129	22	the	the	DET
admet-2278	129	23	training	training	NOUN
admet-2278	129	24	set	set	NOUN
admet-2278	129	25	,	,	PUNCT
admet-2278	129	26	but	but	CCONJ
admet-2278	129	27	all	all	DET
admet-2278	129	28	other	other	ADJ
admet-2278	129	29	criteria	criterion	NOUN
admet-2278	129	30	are	be	AUX
admet-2278	129	31	calculated	calculate	VERB
admet-2278	129	32	for	for	SCONJ
admet-2278	129	33	the	the	DET
admet-2278	129	34	test	test	NOUN
admet-2278	129	35	set	set	NOUN
admet-2278	129	36	[	[	X
admet-2278	129	37	22,23	22,23	NOUN
admet-2278	129	38	]	]	PUNCT
admet-2278	129	39	.	.	PUNCT
admet-2278	130	1	r0	r0	NOUN
admet-2278	130	2	2	2	NUM
admet-2278	130	3	is	be	AUX
admet-2278	130	4	the	the	DET
admet-2278	130	5	coefficient	coefficient	NOUN
admet-2278	130	6	of	of	ADP
admet-2278	130	7	determination	determination	NOUN
admet-2278	130	8	(	(	PUNCT
admet-2278	130	9	predicted	predict	VERB
admet-2278	130	10	versus	versus	ADP
admet-2278	130	11	observed	observed	ADJ
admet-2278	130	12	values	value	NOUN
admet-2278	130	13	)	)	PUNCT
admet-2278	130	14	for	for	ADP
admet-2278	130	15	regressions	regression	NOUN
admet-2278	130	16	through	through	ADP
admet-2278	130	17	the	the	DET
admet-2278	130	18	origin	origin	NOUN
admet-2278	130	19	.	.	PUNCT
admet-2278	131	1	r'02	r'02	NOUN
admet-2278	131	2	is	be	AUX
admet-2278	131	3	the	the	DET
admet-2278	131	4	coefficient	coefficient	NOUN
admet-2278	131	5	of	of	ADP
admet-2278	131	6	determination	determination	NOUN
admet-2278	131	7	(	(	PUNCT
admet-2278	131	8	observed	observe	VERB
admet-2278	131	9	versus	versus	ADP
admet-2278	131	10	predicted	predict	VERB
admet-2278	131	11	values	value	NOUN
admet-2278	131	12	)	)	PUNCT
admet-2278	131	13	for	for	ADP
admet-2278	131	14	regressions	regression	NOUN
admet-2278	131	15	through	through	ADP
admet-2278	131	16	the	the	DET
admet-2278	131	17	origin	origin	NOUN
admet-2278	131	18	.	.	PUNCT
admet-2278	132	1	k	k	PROPN
admet-2278	132	2	and	and	CCONJ
admet-2278	132	3	kʹ	kʹ	PROPN
admet-2278	132	4	are	be	AUX
admet-2278	132	5	slopes	slope	NOUN
admet-2278	132	6	of	of	ADP
admet-2278	132	7	regression	regression	NOUN
admet-2278	132	8	lines	line	NOUN
admet-2278	132	9	through	through	ADP
admet-2278	132	10	the	the	DET
admet-2278	132	11	origin	origin	NOUN
admet-2278	132	12	.	.	PUNCT
admet-2278	133	1	multiple	multiple	ADJ
admet-2278	133	2	linear	linear	PROPN
admet-2278	133	3	regression	regression	PROPN
admet-2278	133	4	stepwise	stepwise	PROPN
admet-2278	133	5	multiple	multiple	ADJ
admet-2278	133	6	linear	linear	PROPN
admet-2278	133	7	regression	regression	NOUN
admet-2278	133	8	was	be	AUX
admet-2278	133	9	performed	perform	VERB
admet-2278	133	10	with	with	ADP
admet-2278	133	11	the	the	DET
admet-2278	133	12	program	program	NOUN
admet-2278	133	13	statistica	statistica	NOUN
admet-2278	133	14	[	[	X
admet-2278	133	15	36	36	NUM
admet-2278	133	16	]	]	PUNCT
admet-2278	133	17	.	.	PUNCT
admet-2278	134	1	a	a	DET
admet-2278	134	2	stepwise	stepwise	ADJ
admet-2278	134	3	multiple	multiple	ADJ
admet-2278	134	4	linear	linear	PROPN
admet-2278	134	5	regression	regression	NOUN
admet-2278	134	6	procedure	procedure	NOUN
admet-2278	134	7	was	be	AUX
admet-2278	134	8	used	use	VERB
admet-2278	134	9	to	to	PART
admet-2278	134	10	select	select	VERB
admet-2278	134	11	the	the	DET
admet-2278	134	12	molecular	molecular	ADJ
admet-2278	134	13	descriptors	descriptor	NOUN
admet-2278	134	14	with	with	ADP
admet-2278	134	15	the	the	DET
admet-2278	134	16	greatest	great	ADJ
admet-2278	134	17	influence	influence	NOUN
admet-2278	134	18	on	on	ADP
admet-2278	134	19	the	the	DET
admet-2278	134	20	dependent	dependent	ADJ
admet-2278	134	21	variables	variable	NOUN
admet-2278	134	22	.	.	PUNCT
admet-2278	135	1	the	the	DET
admet-2278	135	2	models	model	NOUN
admet-2278	135	3	were	be	AUX
admet-2278	135	4	created	create	VERB
admet-2278	135	5	stepwise	stepwise	ADV
admet-2278	135	6	according	accord	VERB
admet-2278	135	7	to	to	ADP
admet-2278	135	8	the	the	DET
admet-2278	135	9	following	follow	VERB
admet-2278	135	10	procedure	procedure	NOUN
admet-2278	135	11	:	:	PUNCT
admet-2278	135	12	identification	identification	NOUN
admet-2278	135	13	of	of	ADP
admet-2278	135	14	an	an	DET
admet-2278	135	15	initial	initial	ADJ
admet-2278	135	16	model	model	NOUN
admet-2278	135	17	,	,	PUNCT
admet-2278	135	18	then	then	ADV
admet-2278	135	19	iterative	iterative	VERB
admet-2278	135	20	„	„	PUNCT
admet-2278	135	21	stepping	step	VERB
admet-2278	135	22	“	"	PUNCT
admet-2278	135	23	in	in	ADP
admet-2278	135	24	which	which	PRON
admet-2278	135	25	descriptors	descriptor	NOUN
admet-2278	135	26	were	be	AUX
admet-2278	135	27	added	add	VERB
admet-2278	135	28	or	or	CCONJ
admet-2278	135	29	removed	remove	VERB
admet-2278	135	30	from	from	ADP
admet-2278	135	31	the	the	DET
admet-2278	135	32	model	model	NOUN
admet-2278	135	33	based	base	VERB
admet-2278	135	34	on	on	ADP
admet-2278	135	35	the	the	DET
admet-2278	135	36	previously	previously	ADV
admet-2278	135	37	established	establish	VERB
admet-2278	135	38	stepping	stepping	ADJ
admet-2278	135	39	criteria	criterion	NOUN
admet-2278	135	40	(	(	PUNCT
admet-2278	135	41	f	f	X
admet-2278	135	42	to	to	PART
admet-2278	135	43	enter	enter	VERB
admet-2278	135	44	and	and	CCONJ
admet-2278	135	45	f	f	X
admet-2278	135	46	to	to	PART
admet-2278	135	47	remove	remove	VERB
admet-2278	135	48	)	)	PUNCT
admet-2278	135	49	according	accord	VERB
admet-2278	135	50	to	to	ADP
admet-2278	135	51	their	their	PRON
admet-2278	135	52	statistical	statistical	ADJ
admet-2278	135	53	significance	significance	NOUN
admet-2278	135	54	(	(	PUNCT
admet-2278	135	55	f	f	NOUN
admet-2278	135	56	-	-	PUNCT
admet-2278	135	57	test	test	NOUN
admet-2278	135	58	)	)	PUNCT
admet-2278	135	59	,	,	PUNCT
admet-2278	135	60	and	and	CCONJ
admet-2278	135	61	finally	finally	ADV
admet-2278	135	62	termination	termination	NOUN
admet-2278	135	63	of	of	ADP
admet-2278	135	64	the	the	DET
admet-2278	135	65	search	search	NOUN
admet-2278	135	66	when	when	SCONJ
admet-2278	135	67	no	no	PRON
admet-2278	135	68	more	more	ADV
admet-2278	135	69	stepping	stepping	ADJ
admet-2278	135	70	was	be	AUX
admet-2278	135	71	possible	possible	ADJ
admet-2278	135	72	or	or	CCONJ
admet-2278	135	73	when	when	SCONJ
admet-2278	135	74	a	a	DET
admet-2278	135	75	specified	specified	ADJ
admet-2278	135	76	maximum	maximum	ADJ
admet-2278	135	77	number	number	NOUN
admet-2278	135	78	of	of	ADP
admet-2278	135	79	steps	step	NOUN
admet-2278	135	80	was	be	AUX
admet-2278	135	81	reached	reach	VERB
admet-2278	135	82	.	.	PUNCT
admet-2278	136	1	stepping	stepping	ADJ
admet-2278	136	2	criteria	criterion	NOUN
admet-2278	136	3	were	be	AUX
admet-2278	136	4	set	set	VERB
admet-2278	136	5	to	to	ADP
admet-2278	136	6	a	a	DET
admet-2278	136	7	narrow	narrow	ADJ
admet-2278	136	8	range	range	NOUN
admet-2278	136	9	,	,	PUNCT
admet-2278	136	10	and	and	CCONJ
admet-2278	136	11	the	the	DET
admet-2278	136	12	predictive	predictive	ADJ
admet-2278	136	13	abilities	ability	NOUN
admet-2278	136	14	of	of	ADP
admet-2278	136	15	the	the	DET
admet-2278	136	16	models	model	NOUN
admet-2278	136	17	were	be	AUX
admet-2278	136	18	tested	test	VERB
admet-2278	136	19	by	by	ADP
admet-2278	136	20	leave	leave	VERB
admet-2278	136	21	-	-	PUNCT
admet-2278	136	22	one	one	NUM
admet-2278	136	23	-	-	PUNCT
admet-2278	136	24	out	out	ADP
admet-2278	136	25	cross	cross	ADJ
admet-2278	136	26	-	-	ADJ
admet-2278	136	27	validation	validation	ADJ
admet-2278	136	28	and	and	CCONJ
admet-2278	136	29	external	external	ADJ
admet-2278	136	30	test	test	NOUN
admet-2278	136	31	set	set	VERB
admet-2278	136	32	prediction	prediction	NOUN
admet-2278	136	33	methods	method	NOUN
admet-2278	136	34	to	to	PART
admet-2278	136	35	avoid	avoid	VERB
admet-2278	136	36	obtaining	obtain	VERB
admet-2278	136	37	an	an	DET
admet-2278	136	38	overfitting	overfitte	VERB
admet-2278	136	39	model	model	NOUN
admet-2278	136	40	.	.	PUNCT
admet-2278	137	1	partial	partial	ADJ
admet-2278	137	2	least	least	ADJ
admet-2278	137	3	squares	square	NOUN
admet-2278	137	4	regression	regression	VERB
admet-2278	137	5	the	the	DET
admet-2278	137	6	pls	pls	NOUN
admet-2278	137	7	analysis	analysis	NOUN
admet-2278	137	8	was	be	AUX
admet-2278	137	9	carried	carry	VERB
admet-2278	137	10	out	out	ADP
admet-2278	137	11	using	use	VERB
admet-2278	137	12	the	the	DET
admet-2278	137	13	simca	simca	PROPN
admet-2278	137	14	p+	p+	PROPN
admet-2278	137	15	12.0	12.0	NUM
admet-2278	137	16	(	(	PUNCT
admet-2278	137	17	soft	soft	ADJ
admet-2278	137	18	independent	independent	ADJ
admet-2278	137	19	modelling	modelling	NOUN
admet-2278	137	20	of	of	ADP
admet-2278	137	21	class	class	NOUN
admet-2278	137	22	analogy	analogy	NOUN
admet-2278	137	23	)	)	PUNCT
admet-2278	137	24	program	program	NOUN
admet-2278	138	1	[	[	X
admet-2278	138	2	33	33	NUM
admet-2278	138	3	]	]	PUNCT
admet-2278	138	4	.	.	PUNCT
admet-2278	139	1	the	the	DET
admet-2278	139	2	pls	pls	PROPN
admet-2278	139	3	approach	approach	NOUN
admet-2278	139	4	is	be	AUX
admet-2278	139	5	able	able	ADJ
admet-2278	139	6	to	to	PART
admet-2278	139	7	analyse	analyse	VERB
admet-2278	139	8	data	datum	NOUN
admet-2278	139	9	with	with	ADP
admet-2278	139	10	noisy	noisy	ADJ
admet-2278	139	11	,	,	PUNCT
admet-2278	139	12	collinear	collinear	ADJ
admet-2278	139	13	and	and	CCONJ
admet-2278	139	14	even	even	ADV
admet-2278	139	15	incomplete	incomplete	ADJ
admet-2278	139	16	independent	independent	ADJ
admet-2278	139	17	variables	variable	NOUN
admet-2278	139	18	.	.	PUNCT
admet-2278	140	1	in	in	ADP
admet-2278	140	2	pls	pls	PROPN
admet-2278	140	3	modelling	modelling	NOUN
admet-2278	140	4	,	,	PUNCT
admet-2278	140	5	the	the	DET
admet-2278	140	6	variable	variable	ADJ
admet-2278	140	7	importance	importance	NOUN
admet-2278	140	8	in	in	ADP
admet-2278	140	9	the	the	DET
admet-2278	140	10	projection	projection	NOUN
admet-2278	140	11	(	(	PUNCT
admet-2278	140	12	vip	vip	NOUN
admet-2278	140	13	)	)	PUNCT
admet-2278	140	14	parameter	parameter	NOUN
admet-2278	140	15	was	be	AUX
admet-2278	140	16	used	use	VERB
admet-2278	140	17	to	to	PART
admet-2278	140	18	assess	assess	VERB
admet-2278	140	19	the	the	DET
admet-2278	140	20	significance	significance	NOUN
admet-2278	140	21	of	of	ADP
admet-2278	140	22	the	the	DET
admet-2278	140	23	independent	independent	ADJ
admet-2278	140	24	variables	variable	NOUN
admet-2278	140	25	in	in	ADP
admet-2278	140	26	the	the	DET
admet-2278	140	27	course	course	NOUN
admet-2278	140	28	of	of	ADP
admet-2278	140	29	pls	pls	PROPN
admet-2278	140	30	model	model	NOUN
admet-2278	140	31	building	building	NOUN
admet-2278	140	32	.	.	PUNCT
admet-2278	141	1	the	the	DET
admet-2278	141	2	vip	vip	NOUN
admet-2278	141	3	parameter	parameter	NOUN
admet-2278	141	4	represents	represent	VERB
admet-2278	141	5	a	a	DET
admet-2278	141	6	summary	summary	NOUN
admet-2278	141	7	of	of	ADP
admet-2278	141	8	the	the	DET
admet-2278	141	9	importance	importance	NOUN
admet-2278	141	10	of	of	ADP
admet-2278	141	11	each	each	DET
admet-2278	141	12	variable	variable	NOUN
admet-2278	141	13	(	(	PUNCT
admet-2278	141	14	x	x	X
admet-2278	141	15	)	)	PUNCT
admet-2278	141	16	for	for	ADP
admet-2278	141	17	both	both	CCONJ
admet-2278	141	18	the	the	DET
admet-2278	141	19	y	y	PROPN
admet-2278	141	20	and	and	CCONJ
admet-2278	141	21	x	x	NOUN
admet-2278	141	22	matrices	matrix	NOUN
admet-2278	141	23	.	.	PUNCT
admet-2278	142	1	molecular	molecular	ADJ
admet-2278	142	2	descriptors	descriptor	NOUN
admet-2278	142	3	with	with	ADP
admet-2278	142	4	vip	vip	NOUN
admet-2278	142	5	values	value	NOUN
admet-2278	142	6	greater	great	ADJ
admet-2278	142	7	than	than	ADP
admet-2278	142	8	1	1	NUM
admet-2278	142	9	are	be	AUX
admet-2278	142	10	most	most	ADV
admet-2278	142	11	important	important	ADJ
admet-2278	142	12	in	in	ADP
admet-2278	142	13	explaining	explain	VERB
admet-2278	142	14	the	the	DET
admet-2278	142	15	regression	regression	NOUN
admet-2278	142	16	model	model	NOUN
admet-2278	142	17	,	,	PUNCT
admet-2278	142	18	those	those	PRON
admet-2278	142	19	with	with	ADP
admet-2278	142	20	1.0	1.0	NUM
admet-2278	142	21	>	>	SYM
admet-2278	142	22	vip	vip	X
admet-2278	142	23	>	>	X
admet-2278	142	24	0.5	0.5	NUM
admet-2278	142	25	have	have	VERB
admet-2278	142	26	a	a	DET
admet-2278	142	27	moderate	moderate	ADJ
admet-2278	142	28	influence	influence	NOUN
admet-2278	142	29	,	,	PUNCT
admet-2278	142	30	while	while	SCONJ
admet-2278	142	31	the	the	DET
admet-2278	142	32	independent	independent	ADJ
admet-2278	142	33	variables	variable	NOUN
admet-2278	142	34	with	with	ADP
admet-2278	142	35	vip	vip	NOUN
admet-2278	142	36	values	value	NOUN
admet-2278	142	37	less	less	ADJ
admet-2278	142	38	than	than	ADP
admet-2278	142	39	0.5	0.5	NUM
admet-2278	142	40	are	be	AUX
admet-2278	142	41	not	not	PART
admet-2278	142	42	relevant	relevant	ADJ
admet-2278	142	43	for	for	ADP
admet-2278	142	44	the	the	DET
admet-2278	142	45	model	model	NOUN
admet-2278	142	46	[	[	X
admet-2278	142	47	33,37	33,37	NUM
admet-2278	142	48	]	]	PUNCT
admet-2278	142	49	.	.	PUNCT
admet-2278	143	1	therefore	therefore	ADV
admet-2278	143	2	,	,	PUNCT
admet-2278	143	3	during	during	ADP
admet-2278	143	4	model	model	NOUN
admet-2278	143	5	generation	generation	NOUN
admet-2278	143	6	,	,	PUNCT
admet-2278	143	7	the	the	DET
admet-2278	143	8	descriptors	descriptor	NOUN
admet-2278	143	9	with	with	ADP
admet-2278	143	10	the	the	DET
admet-2278	143	11	lowest	low	ADJ
admet-2278	143	12	vip	vip	NOUN
admet-2278	143	13	values	value	NOUN
admet-2278	143	14	were	be	AUX
admet-2278	143	15	successively	successively	ADV
admet-2278	143	16	removed	remove	VERB
admet-2278	143	17	from	from	ADP
admet-2278	143	18	the	the	DET
admet-2278	143	19	model	model	NOUN
admet-2278	143	20	,	,	PUNCT
admet-2278	143	21	while	while	SCONJ
admet-2278	143	22	statistical	statistical	ADJ
admet-2278	143	23	parameters	parameter	NOUN
admet-2278	143	24	such	such	ADJ
admet-2278	143	25	as	as	ADP
admet-2278	143	26	the	the	DET
admet-2278	143	27	squares	square	NOUN
admet-2278	143	28	of	of	ADP
admet-2278	143	29	the	the	DET
admet-2278	143	30	multiple	multiple	ADJ
admet-2278	143	31	correlation	correlation	NOUN
admet-2278	143	32	coefficients	coefficient	NOUN
admet-2278	143	33	r2	r2	PROPN
admet-2278	143	34	,	,	PUNCT
admet-2278	143	35	q2	q2	NOUN
admet-2278	143	36	(	(	PUNCT
admet-2278	143	37	a	a	DET
admet-2278	143	38	cross	cross	ADJ
admet-2278	143	39	-	-	ADJ
admet-2278	143	40	validated	validated	ADJ
admet-2278	143	41	version	version	NOUN
admet-2278	143	42	of	of	ADP
admet-2278	143	43	r2	r2	PROPN
admet-2278	143	44	)	)	PUNCT
admet-2278	143	45	,	,	PUNCT
admet-2278	143	46	the	the	DET
admet-2278	143	47	root	root	NOUN
admet-2278	143	48	mean	mean	VERB
admet-2278	143	49	square	square	ADJ
admet-2278	143	50	error	error	NOUN
admet-2278	143	51	of	of	ADP
admet-2278	143	52	estimation	estimation	NOUN
admet-2278	143	53	for	for	ADP
admet-2278	143	54	the	the	DET
admet-2278	143	55	training	training	NOUN
admet-2278	143	56	set	set	NOUN
admet-2278	143	57	,	,	PUNCT
admet-2278	143	58	and	and	CCONJ
admet-2278	143	59	the	the	DET
admet-2278	143	60	root	root	NOUN
admet-2278	143	61	mean	mean	VERB
admet-2278	143	62	square	square	ADJ
admet-2278	143	63	error	error	NOUN
admet-2278	143	64	of	of	ADP
admet-2278	143	65	prediction	prediction	NOUN
admet-2278	143	66	for	for	ADP
admet-2278	143	67	the	the	DET
admet-2278	143	68	test	test	NOUN
admet-2278	143	69	set	set	NOUN
admet-2278	143	70	were	be	AUX
admet-2278	143	71	calculated	calculate	VERB
admet-2278	143	72	for	for	ADP
admet-2278	143	73	each	each	DET
admet-2278	143	74	new	new	ADJ
admet-2278	143	75	pls	pls	NOUN
admet-2278	143	76	model	model	NOUN
admet-2278	143	77	and	and	CCONJ
admet-2278	143	78	compared	compare	VERB
admet-2278	143	79	with	with	ADP
admet-2278	143	80	the	the	DET
admet-2278	143	81	previous	previous	ADJ
admet-2278	143	82	one	one	NUM
admet-2278	143	83	.	.	PUNCT
admet-2278	144	1	the	the	DET
admet-2278	144	2	procedure	procedure	NOUN
admet-2278	144	3	was	be	AUX
admet-2278	144	4	repeated	repeat	VERB
admet-2278	144	5	until	until	SCONJ
admet-2278	144	6	the	the	DET
admet-2278	144	7	best	good	ADJ
admet-2278	144	8	models	model	NOUN
admet-2278	144	9	for	for	ADP
admet-2278	144	10	the	the	DET
admet-2278	144	11	investigated	investigate	VERB
admet-2278	144	12	experimental	experimental	ADJ
admet-2278	144	13	conditions	condition	NOUN
admet-2278	144	14	(	(	PUNCT
admet-2278	144	15	ph	ph	NOUN
admet-2278	144	16	4.4	4.4	NUM
admet-2278	144	17	,	,	PUNCT
admet-2278	144	18	7.4	7.4	NUM
admet-2278	144	19	and	and	CCONJ
admet-2278	144	20	9.1	9.1	NUM
admet-2278	144	21	)	)	PUNCT
admet-2278	144	22	and	and	CCONJ
admet-2278	144	23	analytical	analytical	ADJ
admet-2278	144	24	systems	system	NOUN
admet-2278	144	25	(	(	PUNCT
admet-2278	144	26	hplc	hplc	NOUN
admet-2278	144	27	and	and	CCONJ
admet-2278	144	28	ce	ce	PROPN
admet-2278	144	29	)	)	PUNCT
admet-2278	144	30	were	be	AUX
admet-2278	144	31	formed	form	VERB
admet-2278	144	32	.	.	PUNCT
admet-2278	145	1	https://doi.org/10.5599/admet.2278	https://doi.org/10.5599/admet.2278	PROPN
admet-2278	145	2	s.	s.	PROPN
admet-2278	145	3	oljacic	oljacic	VERB
admet-2278	146	1	et	et	PROPN
admet-2278	146	2	al	al	PROPN
admet-2278	146	3	.	.	PROPN
admet-2278	146	4	admet	admet	PROPN
admet-2278	146	5	&	&	CCONJ
admet-2278	146	6	dmpk	dmpk	PROPN
admet-2278	146	7	12(5	12(5	NUM
admet-2278	146	8	)	)	PUNCT
admet-2278	146	9	(	(	PUNCT
admet-2278	146	10	2024	2024	NUM
admet-2278	146	11	)	)	PUNCT
admet-2278	146	12	737	737	NUM
admet-2278	146	13	-	-	SYM
admet-2278	146	14	757	757	NUM
admet-2278	146	15	744	744	NUM
admet-2278	146	16	the	the	DET
admet-2278	146	17	response	response	NOUN
admet-2278	146	18	permutation	permutation	NOUN
admet-2278	146	19	test	test	NOUN
admet-2278	146	20	(	(	PUNCT
admet-2278	146	21	y	y	PROPN
admet-2278	146	22	scrambling	scramble	VERB
admet-2278	146	23	)	)	PUNCT
admet-2278	146	24	,	,	PUNCT
admet-2278	146	25	as	as	ADP
admet-2278	146	26	a	a	DET
admet-2278	146	27	measure	measure	NOUN
admet-2278	146	28	of	of	ADP
admet-2278	146	29	model	model	NOUN
admet-2278	146	30	overfitting	overfitting	NOUN
admet-2278	146	31	,	,	PUNCT
admet-2278	146	32	was	be	AUX
admet-2278	146	33	used	use	VERB
admet-2278	146	34	to	to	PART
admet-2278	146	35	examine	examine	VERB
admet-2278	146	36	the	the	DET
admet-2278	146	37	statistical	statistical	ADJ
admet-2278	146	38	significance	significance	NOUN
admet-2278	146	39	of	of	ADP
admet-2278	146	40	the	the	DET
admet-2278	146	41	r2	r2	PROPN
admet-2278	146	42	and	and	CCONJ
admet-2278	146	43	q2	q2	NOUN
admet-2278	146	44	values	value	NOUN
admet-2278	146	45	and	and	CCONJ
admet-2278	146	46	overfitting	overfitte	VERB
admet-2278	146	47	due	due	ADP
admet-2278	146	48	to	to	ADP
admet-2278	146	49	the	the	DET
admet-2278	146	50	chance	chance	NOUN
admet-2278	146	51	correlation	correlation	NOUN
admet-2278	146	52	[	[	X
admet-2278	146	53	37	37	NUM
admet-2278	146	54	]	]	PUNCT
admet-2278	146	55	.	.	PUNCT
admet-2278	147	1	in	in	ADP
admet-2278	147	2	this	this	DET
admet-2278	147	3	test	test	NOUN
admet-2278	147	4	,	,	PUNCT
admet-2278	147	5	the	the	DET
admet-2278	147	6	y	y	NOUN
admet-2278	147	7	-	-	PUNCT
admet-2278	147	8	variables	variable	NOUN
admet-2278	147	9	were	be	AUX
admet-2278	147	10	randomly	randomly	ADV
admet-2278	147	11	re	re	VERB
admet-2278	147	12	-	-	VERB
admet-2278	147	13	ordered	order	VERB
admet-2278	147	14	100	100	NUM
admet-2278	147	15	times	time	NOUN
admet-2278	147	16	while	while	SCONJ
admet-2278	147	17	the	the	DET
admet-2278	147	18	x	x	NOUN
admet-2278	147	19	-	-	NOUN
admet-2278	147	20	matrix	matrix	NOUN
admet-2278	147	21	was	be	AUX
admet-2278	147	22	remained	remain	VERB
admet-2278	147	23	unchanged	unchanged	ADJ
admet-2278	147	24	.	.	PUNCT
admet-2278	148	1	the	the	DET
admet-2278	148	2	pls	pls	PROPN
admet-2278	148	3	model	model	NOUN
admet-2278	148	4	was	be	AUX
admet-2278	148	5	fitted	fit	VERB
admet-2278	148	6	to	to	ADP
admet-2278	148	7	the	the	DET
admet-2278	148	8	permuted	permuted	ADJ
admet-2278	148	9	data	datum	NOUN
admet-2278	148	10	and	and	CCONJ
admet-2278	148	11	the	the	DET
admet-2278	148	12	new	new	ADJ
admet-2278	148	13	parameters	parameter	NOUN
admet-2278	148	14	r2	r2	PROPN
admet-2278	148	15	,	,	PUNCT
admet-2278	148	16	q2	q2	NOUN
admet-2278	148	17	and	and	CCONJ
admet-2278	148	18	vip	vip	NOUN
admet-2278	148	19	were	be	AUX
admet-2278	148	20	calculated	calculate	VERB
admet-2278	148	21	.	.	PUNCT
admet-2278	149	1	all	all	DET
admet-2278	149	2	model	model	NOUN
admet-2278	149	3	selection	selection	NOUN
admet-2278	149	4	steps	step	NOUN
admet-2278	149	5	were	be	AUX
admet-2278	149	6	repeated	repeat	VERB
admet-2278	149	7	with	with	ADP
admet-2278	149	8	the	the	DET
admet-2278	149	9	scrambled	scramble	VERB
admet-2278	149	10	y	y	PROPN
admet-2278	149	11	response	response	PROPN
admet-2278	149	12	data	datum	NOUN
admet-2278	149	13	.	.	PUNCT
admet-2278	150	1	regression	regression	NOUN
admet-2278	150	2	lines	line	NOUN
admet-2278	150	3	were	be	AUX
admet-2278	150	4	fitted	fit	VERB
admet-2278	150	5	through	through	ADP
admet-2278	150	6	the	the	DET
admet-2278	150	7	r2	r2	PROPN
admet-2278	150	8	and	and	CCONJ
admet-2278	150	9	q2	q2	NOUN
admet-2278	150	10	values	value	NOUN
admet-2278	150	11	to	to	PART
admet-2278	150	12	obtain	obtain	VERB
admet-2278	150	13	two	two	NUM
admet-2278	150	14	separate	separate	ADJ
admet-2278	150	15	intercepts	intercept	NOUN
admet-2278	150	16	.	.	PUNCT
admet-2278	151	1	the	the	DET
admet-2278	151	2	values	value	NOUN
admet-2278	151	3	of	of	ADP
admet-2278	151	4	the	the	DET
admet-2278	151	5	obtained	obtain	VERB
admet-2278	151	6	intercepts	intercept	NOUN
admet-2278	151	7	for	for	ADP
admet-2278	151	8	valid	valid	ADJ
admet-2278	151	9	qsrr	qsrr	NOUN
admet-2278	151	10	and	and	CCONJ
admet-2278	151	11	qsmr	qsmr	NOUN
admet-2278	151	12	models	model	NOUN
admet-2278	151	13	should	should	AUX
admet-2278	151	14	be	be	AUX
admet-2278	151	15	below	below	ADP
admet-2278	151	16	0.05	0.05	NUM
admet-2278	151	17	for	for	ADP
admet-2278	151	18	the	the	DET
admet-2278	151	19	q2	q2	NOUN
admet-2278	151	20	intercept	intercept	NOUN
admet-2278	151	21	and	and	CCONJ
admet-2278	151	22	not	not	PART
admet-2278	151	23	above	above	ADP
admet-2278	151	24	0.4	0.4	NUM
admet-2278	151	25	for	for	ADP
admet-2278	151	26	the	the	DET
admet-2278	151	27	r2	r2	PROPN
admet-2278	151	28	intercept	intercept	NOUN
admet-2278	151	29	[	[	X
admet-2278	151	30	37	37	NUM
admet-2278	151	31	]	]	PUNCT
admet-2278	151	32	.	.	PUNCT
admet-2278	152	1	results	result	NOUN
admet-2278	152	2	and	and	CCONJ
admet-2278	152	3	discussion	discussion	VERB
admet-2278	152	4	the	the	DET
admet-2278	152	5	influence	influence	NOUN
admet-2278	152	6	of	of	ADP
admet-2278	152	7	the	the	DET
admet-2278	152	8	degree	degree	NOUN
admet-2278	152	9	of	of	ADP
admet-2278	152	10	ionization	ionization	NOUN
admet-2278	152	11	(	(	PUNCT
admet-2278	152	12	under	under	ADP
admet-2278	152	13	acidic	acidic	ADJ
admet-2278	152	14	,	,	PUNCT
admet-2278	152	15	neutral	neutral	ADJ
admet-2278	152	16	and	and	CCONJ
admet-2278	152	17	basic	basic	ADJ
admet-2278	152	18	conditions	condition	NOUN
admet-2278	152	19	)	)	PUNCT
admet-2278	152	20	of	of	ADP
admet-2278	152	21	29	29	NUM
admet-2278	152	22	imidazoline	imidazoline	NOUN
admet-2278	152	23	and/or	and/or	CCONJ
admet-2278	152	24	α	α	NOUN
admet-2278	152	25	-	-	PUNCT
admet-2278	152	26	adrenergic	adrenergic	ADJ
admet-2278	152	27	receptor	receptor	NOUN
admet-2278	152	28	ligands	ligand	NOUN
admet-2278	152	29	(	(	PUNCT
admet-2278	152	30	figure	figure	NOUN
admet-2278	152	31	s1	s1	NOUN
admet-2278	152	32	,	,	PUNCT
admet-2278	152	33	supplementary	supplementary	ADJ
admet-2278	152	34	material	material	NOUN
admet-2278	152	35	)	)	PUNCT
admet-2278	152	36	on	on	ADP
admet-2278	152	37	their	their	PRON
admet-2278	152	38	retention	retention	NOUN
admet-2278	152	39	in	in	ADP
admet-2278	152	40	reversed	reverse	VERB
admet-2278	152	41	-	-	PUNCT
admet-2278	152	42	phase	phase	NOUN
admet-2278	152	43	liquid	liquid	ADJ
admet-2278	152	44	chromatography	chromatography	NOUN
admet-2278	152	45	and	and	CCONJ
admet-2278	152	46	electrophoretic	electrophoretic	ADJ
admet-2278	152	47	mobility	mobility	NOUN
admet-2278	152	48	in	in	ADP
admet-2278	152	49	capillary	capillary	ADJ
admet-2278	152	50	electrophoresis	electrophoresis	NOUN
admet-2278	152	51	was	be	AUX
admet-2278	152	52	investigated	investigate	VERB
admet-2278	152	53	.	.	PUNCT
admet-2278	153	1	a	a	DET
admet-2278	153	2	ph	ph	ADJ
admet-2278	153	3	value	value	NOUN
admet-2278	153	4	of	of	ADP
admet-2278	153	5	4.4	4.4	NUM
admet-2278	153	6	was	be	AUX
admet-2278	153	7	chosen	choose	VERB
admet-2278	153	8	for	for	ADP
admet-2278	153	9	the	the	DET
admet-2278	153	10	work	work	NOUN
admet-2278	153	11	in	in	ADP
admet-2278	153	12	an	an	DET
admet-2278	153	13	acidic	acidic	ADJ
admet-2278	153	14	medium	medium	NOUN
admet-2278	153	15	at	at	ADP
admet-2278	153	16	which	which	PRON
admet-2278	153	17	the	the	DET
admet-2278	153	18	majority	majority	NOUN
admet-2278	153	19	of	of	ADP
admet-2278	153	20	the	the	DET
admet-2278	153	21	tested	test	VERB
admet-2278	153	22	compounds	compound	NOUN
admet-2278	153	23	reached	reach	VERB
admet-2278	153	24	the	the	DET
admet-2278	153	25	highest	high	ADJ
admet-2278	153	26	degree	degree	NOUN
admet-2278	153	27	of	of	ADP
admet-2278	153	28	ionization	ionization	NOUN
admet-2278	153	29	,	,	PUNCT
admet-2278	153	30	ph	ph	NOUN
admet-2278	153	31	=	=	SYM
admet-2278	153	32	pka	pka	X
admet-2278	153	33	2	2	NUM
admet-2278	153	34	(	(	PUNCT
admet-2278	153	35	based	base	VERB
admet-2278	153	36	on	on	ADP
admet-2278	153	37	calculated	calculate	VERB
admet-2278	153	38	pka	pka	PROPN
admet-2278	153	39	values	value	NOUN
admet-2278	153	40	in	in	ADP
admet-2278	153	41	[	[	X
admet-2278	153	42	28	28	NUM
admet-2278	153	43	]	]	PUNCT
admet-2278	153	44	and	and	CCONJ
admet-2278	153	45	experimentally	experimentally	ADV
admet-2278	153	46	determined	determine	VERB
admet-2278	153	47	pka	pka	PROPN
admet-2278	153	48	values	value	NOUN
admet-2278	153	49	found	find	VERB
admet-2278	153	50	in	in	ADP
admet-2278	153	51	the	the	DET
admet-2278	153	52	literature	literature	NOUN
admet-2278	153	53	,	,	PUNCT
admet-2278	153	54	table	table	NOUN
admet-2278	153	55	s1	s1	NOUN
admet-2278	153	56	,	,	PUNCT
admet-2278	153	57	supplementary	supplementary	ADJ
admet-2278	153	58	material	material	NOUN
admet-2278	153	59	)	)	PUNCT
admet-2278	153	60	.	.	PUNCT
admet-2278	154	1	for	for	ADP
admet-2278	154	2	operation	operation	NOUN
admet-2278	154	3	in	in	ADP
admet-2278	154	4	a	a	DET
admet-2278	154	5	neutral	neutral	ADJ
admet-2278	154	6	medium	medium	NOUN
admet-2278	154	7	a	a	DET
admet-2278	154	8	ph	ph	ADJ
admet-2278	154	9	value	value	NOUN
admet-2278	154	10	of	of	ADP
admet-2278	154	11	7.4	7.4	NUM
admet-2278	154	12	was	be	AUX
admet-2278	154	13	used	use	VERB
admet-2278	154	14	,	,	PUNCT
admet-2278	154	15	which	which	PRON
admet-2278	154	16	simulates	simulate	VERB
admet-2278	154	17	physiological	physiological	ADJ
admet-2278	154	18	conditions	condition	NOUN
admet-2278	154	19	,	,	PUNCT
admet-2278	154	20	while	while	SCONJ
admet-2278	154	21	a	a	DET
admet-2278	154	22	ph	ph	NOUN
admet-2278	154	23	of	of	ADP
admet-2278	154	24	9.1	9.1	NUM
admet-2278	154	25	was	be	AUX
admet-2278	154	26	chosen	choose	VERB
admet-2278	154	27	as	as	ADP
admet-2278	154	28	a	a	DET
admet-2278	154	29	compromise	compromise	NOUN
admet-2278	154	30	where	where	SCONJ
admet-2278	154	31	9	9	NUM
admet-2278	154	32	compounds	compound	NOUN
admet-2278	154	33	move	move	VERB
admet-2278	154	34	together	together	ADV
admet-2278	154	35	with	with	ADP
admet-2278	154	36	the	the	DET
admet-2278	154	37	electroosmotic	electroosmotic	ADJ
admet-2278	154	38	flow	flow	NOUN
admet-2278	154	39	marker	marker	NOUN
admet-2278	154	40	and	and	CCONJ
admet-2278	154	41	the	the	DET
admet-2278	154	42	effective	effective	ADJ
admet-2278	154	43	mobility	mobility	NOUN
admet-2278	154	44	is	be	AUX
admet-2278	154	45	zero	zero	NUM
admet-2278	154	46	such	such	ADJ
admet-2278	154	47	as	as	ADP
admet-2278	154	48	e.g.	e.g.	ADJ
admet-2278	154	49	brimonidine	brimonidine	NOUN
admet-2278	154	50	(	(	PUNCT
admet-2278	154	51	experimental	experimental	ADJ
admet-2278	154	52	pka	pka	PROPN
admet-2278	154	53	determined	determine	VERB
admet-2278	154	54	by	by	ADP
admet-2278	154	55	potentiometry	potentiometry	NOUN
admet-2278	154	56	7.50	7.50	NUM
admet-2278	154	57	)	)	PUNCT
admet-2278	154	58	,	,	PUNCT
admet-2278	154	59	clozapine	clozapine	NOUN
admet-2278	154	60	(	(	PUNCT
admet-2278	154	61	experimental	experimental	ADJ
admet-2278	154	62	pka	pka	PROPN
admet-2278	154	63	determined	determine	VERB
admet-2278	154	64	by	by	ADP
admet-2278	154	65	hplc	hplc	NOUN
admet-2278	154	66	7.719	7.719	NUM
admet-2278	154	67	±	±	NUM
admet-2278	154	68	0.015	0.015	NUM
admet-2278	154	69	)	)	PUNCT
admet-2278	154	70	,	,	PUNCT
admet-2278	154	71	doxazosine	doxazosine	NOUN
admet-2278	154	72	(	(	PUNCT
admet-2278	154	73	experimental	experimental	PROPN
admet-2278	154	74	pka	pka	PROPN
admet-2278	154	75	determined	determine	VERB
admet-2278	154	76	by	by	ADP
admet-2278	154	77	voltammetry	voltammetry	NOUN
admet-2278	154	78	6.89	6.89	NUM
admet-2278	154	79	±	±	NUM
admet-2278	154	80	0.57	0.57	NUM
admet-2278	154	81	)	)	PUNCT
admet-2278	154	82	,	,	PUNCT
admet-2278	154	83	guanfacine	guanfacine	NOUN
admet-2278	154	84	(	(	PUNCT
admet-2278	154	85	calculated	calculate	VERB
admet-2278	154	86	basic	basic	ADJ
admet-2278	154	87	pka	pka	PROPN
admet-2278	154	88	8.65	8.65	NUM
admet-2278	154	89	)	)	PUNCT
admet-2278	154	90	,	,	PUNCT
admet-2278	154	91	harman	harman	PROPN
admet-2278	154	92	(	(	PUNCT
admet-2278	154	93	experimental	experimental	PROPN
admet-2278	154	94	pka	pka	PROPN
admet-2278	154	95	determined	determine	VERB
admet-2278	154	96	by	by	ADP
admet-2278	154	97	hplc	hplc	PROPN
admet-2278	154	98	7.21	7.21	NUM
admet-2278	154	99	)	)	PUNCT
admet-2278	154	100	,	,	PUNCT
admet-2278	154	101	mianserin	mianserin	NOUN
admet-2278	154	102	(	(	PUNCT
admet-2278	154	103	experimental	experimental	ADJ
admet-2278	154	104	pka	pka	PROPN
admet-2278	154	105	determined	determine	VERB
admet-2278	154	106	by	by	ADP
admet-2278	154	107	potentiometry	potentiometry	NOUN
admet-2278	154	108	7.40	7.40	NUM
admet-2278	154	109	)	)	PUNCT
admet-2278	154	110	,	,	PUNCT
admet-2278	154	111	moxonidine	moxonidine	PROPN
admet-2278	154	112	(	(	PUNCT
admet-2278	154	113	experimental	experimental	ADJ
admet-2278	154	114	pka	pka	PROPN
admet-2278	154	115	determined	determine	VERB
admet-2278	154	116	by	by	ADP
admet-2278	154	117	hplc	hplc	NOUN
admet-2278	154	118	7.84	7.84	NUM
admet-2278	154	119	)	)	PUNCT
admet-2278	154	120	,	,	PUNCT
admet-2278	154	121	tizanidine	tizanidine	NOUN
admet-2278	154	122	(	(	PUNCT
admet-2278	154	123	calculated	calculate	VERB
admet-2278	154	124	pka	pka	PROPN
admet-2278	154	125	7.49	7.49	NUM
admet-2278	154	126	)	)	PUNCT
admet-2278	154	127	and	and	CCONJ
admet-2278	154	128	triamterene	triamterene	NOUN
admet-2278	154	129	(	(	PUNCT
admet-2278	154	130	experimental	experimental	ADJ
admet-2278	154	131	pka	pka	PROPN
admet-2278	154	132	determined	determine	VERB
admet-2278	154	133	by	by	ADP
admet-2278	154	134	ph	ph	ADJ
admet-2278	154	135	spectrophotometric	spectrophotometric	ADJ
admet-2278	154	136	method	method	NOUN
admet-2278	154	137	7.16	7.16	NUM
admet-2278	154	138	)	)	PUNCT
admet-2278	154	139	(	(	PUNCT
admet-2278	154	140	tables	table	NOUN
admet-2278	154	141	s1	s1	NOUN
admet-2278	154	142	and	and	CCONJ
admet-2278	154	143	s4	s4	PROPN
admet-2278	154	144	,	,	PUNCT
admet-2278	154	145	supplementary	supplementary	ADJ
admet-2278	154	146	material	material	NOUN
admet-2278	154	147	)	)	PUNCT
admet-2278	154	148	;	;	PUNCT
admet-2278	154	149	about	about	ADP
admet-2278	154	150	1/3	1/3	NUM
admet-2278	154	151	of	of	ADP
admet-2278	154	152	the	the	DET
admet-2278	154	153	compounds	compound	NOUN
admet-2278	154	154	reach	reach	VERB
admet-2278	154	155	their	their	PRON
admet-2278	154	156	mean	mean	ADJ
admet-2278	154	157	mobility	mobility	NOUN
admet-2278	154	158	(	(	PUNCT
admet-2278	154	159	ph	ph	VERB
admet-2278	154	160	close	close	ADV
admet-2278	154	161	to	to	ADP
admet-2278	154	162	the	the	DET
admet-2278	154	163	pka	pka	PROPN
admet-2278	154	164	value	value	NOUN
admet-2278	154	165	,	,	PUNCT
admet-2278	154	166	amiloride	amiloride	INTJ
admet-2278	154	167	(	(	PUNCT
admet-2278	154	168	experimental	experimental	ADJ
admet-2278	154	169	pka	pka	PROPN
admet-2278	154	170	determined	determine	VERB
admet-2278	154	171	by	by	ADP
admet-2278	154	172	potentiometry	potentiometry	NOUN
admet-2278	154	173	8.72	8.72	NUM
admet-2278	154	174	±	±	NUM
admet-2278	154	175	0.05	0.05	NUM
admet-2278	154	176	)	)	PUNCT
admet-2278	154	177	,	,	PUNCT
admet-2278	154	178	idazoxan	idazoxan	PROPN
admet-2278	154	179	(	(	PUNCT
admet-2278	154	180	experimental	experimental	ADJ
admet-2278	154	181	pka	pka	PROPN
admet-2278	154	182	determined	determine	VERB
admet-2278	154	183	by	by	ADP
admet-2278	154	184	hplc	hplc	NOUN
admet-2278	154	185	9.04	9.04	NUM
admet-2278	154	186	)	)	PUNCT
admet-2278	154	187	,	,	PUNCT
admet-2278	154	188	phenylephrine	phenylephrine	ADJ
admet-2278	154	189	(	(	PUNCT
admet-2278	154	190	experimental	experimental	ADJ
admet-2278	154	191	pka	pka	PROPN
admet-2278	154	192	determined	determine	VERB
admet-2278	154	193	by	by	ADP
admet-2278	154	194	spectrophotometry	spectrophotometry	NOUN
admet-2278	154	195	9.17	9.17	NUM
admet-2278	154	196	)	)	PUNCT
admet-2278	154	197	,	,	PUNCT
admet-2278	154	198	tamsulosin	tamsulosin	NOUN
admet-2278	154	199	(	(	PUNCT
admet-2278	154	200	calculated	calculate	VERB
admet-2278	154	201	pka	pka	PROPN
admet-2278	154	202	9.28	9.28	NUM
admet-2278	154	203	)	)	PUNCT
admet-2278	154	204	,	,	PUNCT
admet-2278	154	205	clopamide	clopamide	NOUN
admet-2278	154	206	(	(	PUNCT
admet-2278	154	207	calculated	calculate	VERB
admet-2278	154	208	acid	acid	PROPN
admet-2278	154	209	pka	pka	PROPN
admet-2278	154	210	8.85	8.85	NUM
admet-2278	154	211	)	)	PUNCT
admet-2278	154	212	,	,	PUNCT
admet-2278	154	213	indapamide	indapamide	ADV
admet-2278	154	214	(	(	PUNCT
admet-2278	154	215	experimental	experimental	ADJ
admet-2278	154	216	acid	acid	NOUN
admet-2278	154	217	pka	pka	PROPN
admet-2278	154	218	determined	determine	VERB
admet-2278	154	219	by	by	ADP
admet-2278	154	220	potentiometry	potentiometry	NOUN
admet-2278	154	221	8.8	8.8	NUM
admet-2278	154	222	±	±	NUM
admet-2278	154	223	0.2	0.2	NUM
admet-2278	154	224	)	)	PUNCT
admet-2278	154	225	(	(	PUNCT
admet-2278	154	226	tables	table	NOUN
admet-2278	154	227	s1	s1	NOUN
admet-2278	154	228	and	and	CCONJ
admet-2278	154	229	s4	s4	PROPN
admet-2278	154	230	,	,	PUNCT
admet-2278	154	231	supplementary	supplementary	ADJ
admet-2278	154	232	material	material	NOUN
admet-2278	154	233	)	)	PUNCT
admet-2278	154	234	and	and	CCONJ
admet-2278	154	235	the	the	DET
admet-2278	154	236	remaining	remain	VERB
admet-2278	154	237	compounds	compound	NOUN
admet-2278	154	238	with	with	ADP
admet-2278	154	239	pka	pka	PROPN
admet-2278	154	240	values	value	NOUN
admet-2278	154	241	around	around	ADV
admet-2278	154	242	and	and	CCONJ
admet-2278	154	243	above	above	ADP
admet-2278	154	244	10	10	NUM
admet-2278	154	245	are	be	AUX
admet-2278	154	246	still	still	ADV
admet-2278	154	247	ionized	ionized	ADJ
admet-2278	154	248	to	to	ADP
admet-2278	154	249	a	a	DET
admet-2278	154	250	high	high	ADJ
admet-2278	154	251	percentage	percentage	NOUN
admet-2278	154	252	,	,	PUNCT
admet-2278	154	253	such	such	ADJ
admet-2278	154	254	as	as	ADP
admet-2278	154	255	e.g.	e.g.	ADJ
admet-2278	154	256	efaroxan	efaroxan	NOUN
admet-2278	154	257	(	(	PUNCT
admet-2278	154	258	experimental	experimental	ADJ
admet-2278	154	259	pka	pka	PROPN
admet-2278	154	260	determined	determine	VERB
admet-2278	154	261	by	by	ADP
admet-2278	154	262	hplc	hplc	NOUN
admet-2278	154	263	10.02	10.02	NUM
admet-2278	154	264	)	)	PUNCT
admet-2278	154	265	,	,	PUNCT
admet-2278	154	266	ephedrine	ephedrine	NOUN
admet-2278	154	267	(	(	PUNCT
admet-2278	154	268	experimental	experimental	PROPN
admet-2278	154	269	pka	pka	PROPN
admet-2278	154	270	determined	determine	VERB
admet-2278	154	271	by	by	ADP
admet-2278	154	272	spectrophotometry	spectrophotometry	NOUN
admet-2278	154	273	9.65	9.65	NUM
admet-2278	154	274	)	)	PUNCT
admet-2278	154	275	,	,	PUNCT
admet-2278	154	276	maprotiline(experimental	maprotiline(experimental	PROPN
admet-2278	154	277	pka	pka	PROPN
admet-2278	154	278	determined	determine	VERB
admet-2278	154	279	by	by	ADP
admet-2278	154	280	potentiometry	potentiometry	NOUN
admet-2278	154	281	10.45	10.45	NUM
admet-2278	154	282	±	±	NUM
admet-2278	154	283	0.02	0.02	NUM
admet-2278	154	284	)	)	PUNCT
admet-2278	154	285	,	,	PUNCT
admet-2278	154	286	naphazoline	naphazoline	PROPN
admet-2278	154	287	(	(	PUNCT
admet-2278	154	288	experimental	experimental	PROPN
admet-2278	154	289	pka	pka	PROPN
admet-2278	154	290	determined	determine	VERB
admet-2278	154	291	by	by	ADP
admet-2278	154	292	ph	ph	ADJ
admet-2278	154	293	spectrophotometric	spectrophotometric	ADJ
admet-2278	154	294	method	method	NOUN
admet-2278	154	295	10.81	10.81	NUM
admet-2278	154	296	)	)	PUNCT
admet-2278	154	297	,	,	PUNCT
admet-2278	154	298	oxymetazoline	oxymetazoline	NOUN
admet-2278	154	299	(	(	PUNCT
admet-2278	154	300	experimental	experimental	ADJ
admet-2278	154	301	pka	pka	PROPN
admet-2278	154	302	determined	determine	VERB
admet-2278	154	303	by	by	ADP
admet-2278	154	304	ph	ph	ADJ
admet-2278	154	305	spectrophotometric	spectrophotometric	ADJ
admet-2278	154	306	method	method	NOUN
admet-2278	154	307	10.62	10.62	NUM
admet-2278	154	308	)	)	PUNCT
admet-2278	154	309	,	,	PUNCT
admet-2278	154	310	tetrahyrozoline	tetrahyrozoline	NOUN
admet-2278	154	311	(	(	PUNCT
admet-2278	154	312	experimental	experimental	ADJ
admet-2278	154	313	pka	pka	PROPN
admet-2278	154	314	determined	determine	VERB
admet-2278	154	315	by	by	ADP
admet-2278	154	316	ph	ph	PROPN
admet-2278	154	317	titration	titration	NOUN
admet-2278	154	318	10.51	10.51	NUM
admet-2278	154	319	±	±	NUM
admet-2278	154	320	0.05	0.05	NUM
admet-2278	154	321	)	)	PUNCT
admet-2278	154	322	,	,	PUNCT
admet-2278	154	323	tramazoline	tramazoline	NOUN
admet-2278	154	324	(	(	PUNCT
admet-2278	154	325	experimental	experimental	PROPN
admet-2278	154	326	pka	pka	PROPN
admet-2278	154	327	determined	determine	VERB
admet-2278	154	328	by	by	ADP
admet-2278	154	329	ph	ph	PROPN
admet-2278	154	330	titration	titration	NOUN
admet-2278	154	331	10.66	10.66	NUM
admet-2278	154	332	±	±	NUM
admet-2278	154	333	0.05)(table	0.05)(table	NUM
admet-2278	154	334	s1	s1	PROPN
admet-2278	154	335	and	and	CCONJ
admet-2278	154	336	s4	s4	PROPN
admet-2278	154	337	,	,	PUNCT
admet-2278	154	338	supplementary	supplementary	ADJ
admet-2278	154	339	material	material	NOUN
admet-2278	154	340	)	)	PUNCT
admet-2278	154	341	.	.	PUNCT
admet-2278	155	1	two	two	NUM
admet-2278	155	2	different	different	ADJ
admet-2278	155	3	linear	linear	ADJ
admet-2278	155	4	statistical	statistical	ADJ
admet-2278	155	5	methods	method	NOUN
admet-2278	155	6	(	(	PUNCT
admet-2278	155	7	mlr	mlr	NOUN
admet-2278	155	8	and	and	CCONJ
admet-2278	155	9	pls	pls	INTJ
admet-2278	155	10	)	)	PUNCT
admet-2278	155	11	were	be	AUX
admet-2278	155	12	applied	apply	VERB
admet-2278	155	13	and	and	CCONJ
admet-2278	155	14	compared	compare	VERB
admet-2278	155	15	for	for	ADP
admet-2278	155	16	each	each	DET
admet-2278	155	17	experimental	experimental	ADJ
admet-2278	155	18	condition	condition	NOUN
admet-2278	155	19	and	and	CCONJ
admet-2278	155	20	examined	examine	VERB
admet-2278	155	21	systems	system	NOUN
admet-2278	155	22	in	in	ADP
admet-2278	155	23	order	order	NOUN
admet-2278	155	24	to	to	PART
admet-2278	155	25	identify	identify	VERB
admet-2278	155	26	the	the	DET
admet-2278	155	27	most	most	ADV
admet-2278	155	28	reliable	reliable	ADJ
admet-2278	155	29	models	model	NOUN
admet-2278	155	30	enabling	enable	VERB
admet-2278	155	31	accurate	accurate	ADJ
admet-2278	155	32	prediction	prediction	NOUN
admet-2278	155	33	of	of	ADP
admet-2278	155	34	dependent	dependent	ADJ
admet-2278	155	35	variables	variable	NOUN
admet-2278	155	36	.	.	PUNCT
admet-2278	156	1	quantitative	quantitative	ADJ
admet-2278	156	2	structure	structure	NOUN
admet-2278	156	3	-	-	PUNCT
admet-2278	156	4	retention	retention	NOUN
admet-2278	156	5	relationship	relationship	NOUN
admet-2278	156	6	modelling	model	VERB
admet-2278	156	7	determination	determination	NOUN
admet-2278	156	8	of	of	ADP
admet-2278	156	9	log	log	NOUN
admet-2278	156	10	kw	kw	INTJ
admet-2278	156	11	values	value	NOUN
admet-2278	156	12	the	the	DET
admet-2278	156	13	retention	retention	NOUN
admet-2278	156	14	behaviour	behaviour	NOUN
admet-2278	156	15	in	in	ADP
admet-2278	156	16	hplc	hplc	NOUN
admet-2278	156	17	system	system	NOUN
admet-2278	156	18	was	be	AUX
admet-2278	156	19	monitored	monitor	VERB
admet-2278	156	20	by	by	ADP
admet-2278	156	21	calculating	calculate	VERB
admet-2278	156	22	extrapolated	extrapolated	ADJ
admet-2278	156	23	retention	retention	NOUN
admet-2278	156	24	factors	factor	NOUN
admet-2278	156	25	log	log	VERB
admet-2278	156	26	kw	kw	NOUN
admet-2278	156	27	corresponding	correspond	VERB
admet-2278	156	28	to	to	ADP
admet-2278	156	29	pure	pure	ADJ
admet-2278	156	30	buffer	buffer	NOUN
admet-2278	156	31	as	as	ADP
admet-2278	156	32	mobile	mobile	ADJ
admet-2278	156	33	phase	phase	NOUN
admet-2278	156	34	.	.	PUNCT
admet-2278	157	1	the	the	DET
admet-2278	157	2	log	log	NOUN
admet-2278	157	3	kw	kw	PROPN
admet-2278	157	4	values	value	NOUN
admet-2278	157	5	are	be	AUX
admet-2278	157	6	considered	consider	VERB
admet-2278	157	7	to	to	PART
admet-2278	157	8	be	be	AUX
admet-2278	157	9	better	well	ADJ
admet-2278	157	10	lipophilicity	lipophilicity	NOUN
admet-2278	157	11	indices	index	NOUN
admet-2278	157	12	compared	compare	VERB
admet-2278	157	13	to	to	ADP
admet-2278	157	14	the	the	DET
admet-2278	157	15	isocratic	isocratic	ADJ
admet-2278	157	16	log	log	NOUN
admet-2278	157	17	k	k	NOUN
admet-2278	157	18	,	,	PUNCT
admet-2278	157	19	as	as	SCONJ
admet-2278	157	20	their	their	PRON
admet-2278	157	21	values	value	NOUN
admet-2278	157	22	are	be	AUX
admet-2278	157	23	of	of	ADP
admet-2278	157	24	the	the	DET
admet-2278	157	25	same	same	ADJ
admet-2278	157	26	order	order	NOUN
admet-2278	157	27	of	of	ADP
admet-2278	157	28	magnitude	magnitude	NOUN
admet-2278	157	29	as	as	ADP
admet-2278	157	30	the	the	DET
admet-2278	157	31	log	log	NOUN
admet-2278	157	32	p	p	NOUN
admet-2278	157	33	/	/	SYM
admet-2278	157	34	log	log	NOUN
admet-2278	157	35	d	d	NOUN
admet-2278	157	36	octanolwater	octanolwater	NOUN
admet-2278	158	1	[	[	X
admet-2278	158	2	38	38	NUM
admet-2278	158	3	]	]	PUNCT
admet-2278	158	4	.	.	PUNCT
admet-2278	159	1	the	the	DET
admet-2278	159	2	values	value	NOUN
admet-2278	159	3	of	of	ADP
admet-2278	159	4	log	log	NOUN
admet-2278	159	5	kw	kw	INTJ
admet-2278	159	6	(	(	PUNCT
admet-2278	159	7	intercepts	intercept	NOUN
admet-2278	159	8	)	)	PUNCT
admet-2278	159	9	and	and	CCONJ
admet-2278	159	10	slopes	slope	NOUN
admet-2278	159	11	(	(	PUNCT
admet-2278	159	12	s	s	X
admet-2278	159	13	)	)	PUNCT
admet-2278	159	14	at	at	ADV
admet-2278	159	15	all	all	ADV
admet-2278	159	16	investigated	investigate	VERB
admet-2278	159	17	ph	ph	ADJ
admet-2278	159	18	values	value	NOUN
admet-2278	159	19	:	:	PUNCT
admet-2278	159	20	4.4	4.4	NUM
admet-2278	159	21	,	,	PUNCT
admet-2278	159	22	7.4	7.4	NUM
admet-2278	159	23	and	and	CCONJ
admet-2278	159	24	9.1	9.1	NUM
admet-2278	159	25	are	be	AUX
admet-2278	159	26	admet	admet	PROPN
admet-2278	159	27	&	&	CCONJ
admet-2278	159	28	dmpk	dmpk	PROPN
admet-2278	159	29	12(5	12(5	NUM
admet-2278	159	30	)	)	PUNCT
admet-2278	159	31	(	(	PUNCT
admet-2278	159	32	2024	2024	NUM
admet-2278	159	33	)	)	PUNCT
admet-2278	159	34	737	737	NUM
admet-2278	159	35	-	-	SYM
admet-2278	159	36	757	757	NUM
admet-2278	159	37	imidazoline	imidazoline	NOUN
admet-2278	159	38	and	and	CCONJ
admet-2278	159	39	alpha	alpha	NOUN
admet-2278	159	40	adrenergic	adrenergic	NOUN
admet-2278	159	41	receptors	receptor	NOUN
admet-2278	159	42	ligands	ligand	NOUN
admet-2278	159	43	doi	doi	NOUN
admet-2278	159	44	:	:	PUNCT
admet-2278	159	45	https://doi.org/10.5599/admet.2278	https://doi.org/10.5599/admet.2278	PROPN
admet-2278	159	46	745	745	NUM
admet-2278	159	47	shown	show	VERB
admet-2278	159	48	in	in	ADP
admet-2278	159	49	table	table	NOUN
admet-2278	159	50	s2	s2	NOUN
admet-2278	159	51	(	(	PUNCT
admet-2278	159	52	supplementary	supplementary	ADJ
admet-2278	159	53	material	material	NOUN
admet-2278	159	54	)	)	PUNCT
admet-2278	159	55	.	.	PUNCT
admet-2278	160	1	in	in	ADP
admet-2278	160	2	an	an	DET
admet-2278	160	3	acidic	acidic	ADJ
admet-2278	160	4	environment	environment	NOUN
admet-2278	160	5	(	(	PUNCT
admet-2278	160	6	ph	ph	NOUN
admet-2278	160	7	4.4	4.4	NUM
admet-2278	160	8	)	)	PUNCT
admet-2278	160	9	,	,	PUNCT
admet-2278	160	10	the	the	DET
admet-2278	160	11	obtained	obtain	VERB
admet-2278	160	12	log	log	NOUN
admet-2278	160	13	kw	kw	PROPN
admet-2278	160	14	values	value	NOUN
admet-2278	160	15	are	be	AUX
admet-2278	160	16	in	in	ADP
admet-2278	160	17	the	the	DET
admet-2278	160	18	range	range	NOUN
admet-2278	160	19	from	from	ADP
admet-2278	160	20	0.09	0.09	NUM
admet-2278	160	21	(	(	PUNCT
admet-2278	160	22	phenilephrine	phenilephrine	NOUN
admet-2278	160	23	)	)	PUNCT
admet-2278	160	24	to	to	ADP
admet-2278	160	25	3.75	3.75	NUM
admet-2278	160	26	(	(	PUNCT
admet-2278	160	27	carvedilol	carvedilol	NOUN
admet-2278	160	28	)	)	PUNCT
admet-2278	160	29	.	.	PUNCT
admet-2278	161	1	under	under	ADP
admet-2278	161	2	the	the	DET
admet-2278	161	3	given	give	VERB
admet-2278	161	4	conditions	condition	NOUN
admet-2278	161	5	,	,	PUNCT
admet-2278	161	6	only	only	ADV
admet-2278	161	7	two	two	NUM
admet-2278	161	8	compounds	compound	NOUN
admet-2278	161	9	(	(	PUNCT
admet-2278	161	10	clopamide	clopamide	NOUN
admet-2278	161	11	and	and	CCONJ
admet-2278	161	12	indapamide	indapamide	ADV
admet-2278	161	13	)	)	PUNCT
admet-2278	161	14	are	be	AUX
admet-2278	161	15	present	present	ADJ
admet-2278	161	16	in	in	ADP
admet-2278	161	17	neutral	neutral	ADJ
admet-2278	161	18	(	(	PUNCT
admet-2278	161	19	molecular	molecular	ADJ
admet-2278	161	20	)	)	PUNCT
admet-2278	161	21	form	form	NOUN
admet-2278	161	22	,	,	PUNCT
admet-2278	161	23	while	while	SCONJ
admet-2278	161	24	the	the	DET
admet-2278	161	25	majority	majority	NOUN
admet-2278	161	26	of	of	ADP
admet-2278	161	27	the	the	DET
admet-2278	161	28	other	other	ADJ
admet-2278	161	29	compounds	compound	NOUN
admet-2278	161	30	are	be	AUX
admet-2278	161	31	completely	completely	ADV
admet-2278	161	32	ionized	ionized	ADJ
admet-2278	161	33	(	(	PUNCT
admet-2278	161	34	over	over	ADP
admet-2278	161	35	99	99	NUM
admet-2278	161	36	%	%	NOUN
admet-2278	161	37	)	)	PUNCT
admet-2278	162	1	[	[	X
admet-2278	162	2	28	28	NUM
admet-2278	162	3	]	]	PUNCT
admet-2278	162	4	.	.	PUNCT
admet-2278	163	1	this	this	PRON
admet-2278	163	2	is	be	AUX
admet-2278	163	3	also	also	ADV
admet-2278	163	4	the	the	DET
admet-2278	163	5	reason	reason	NOUN
admet-2278	163	6	for	for	ADP
admet-2278	163	7	the	the	DET
admet-2278	163	8	lower	low	ADJ
admet-2278	163	9	log	log	NOUN
admet-2278	163	10	kw	kw	INTJ
admet-2278	163	11	values	value	NOUN
admet-2278	163	12	of	of	ADP
admet-2278	163	13	the	the	DET
admet-2278	163	14	investigated	investigate	VERB
admet-2278	163	15	compounds	compound	NOUN
admet-2278	163	16	at	at	ADP
admet-2278	163	17	ph	ph	PROPN
admet-2278	163	18	4.4	4.4	NUM
admet-2278	163	19	compared	compare	VERB
admet-2278	163	20	to	to	ADP
admet-2278	163	21	ph	ph	PROPN
admet-2278	163	22	7.4	7.4	NUM
admet-2278	163	23	and	and	CCONJ
admet-2278	163	24	9.1	9.1	NUM
admet-2278	163	25	,	,	PUNCT
admet-2278	163	26	where	where	SCONJ
admet-2278	163	27	the	the	DET
admet-2278	163	28	compounds	compound	NOUN
admet-2278	163	29	are	be	AUX
admet-2278	163	30	present	present	ADJ
admet-2278	163	31	in	in	ADP
admet-2278	163	32	ionized	ionized	ADJ
admet-2278	163	33	form	form	NOUN
admet-2278	163	34	to	to	ADP
admet-2278	163	35	a	a	DET
admet-2278	163	36	lesser	less	ADJ
admet-2278	163	37	extent	extent	NOUN
admet-2278	163	38	or	or	CCONJ
admet-2278	163	39	are	be	AUX
admet-2278	163	40	predominantly	predominantly	ADV
admet-2278	163	41	non	non	ADJ
admet-2278	163	42	-	-	ADJ
admet-2278	163	43	ionized	ionized	ADJ
admet-2278	163	44	(	(	PUNCT
admet-2278	163	45	ph	ph	NOUN
admet-2278	163	46	9.1	9.1	NUM
admet-2278	163	47	)	)	PUNCT
admet-2278	163	48	.	.	PUNCT
admet-2278	164	1	therefore	therefore	ADV
admet-2278	164	2	,	,	PUNCT
admet-2278	164	3	as	as	ADP
admet-2278	164	4	the	the	DET
admet-2278	164	5	ph	ph	ADJ
admet-2278	164	6	increases	increase	NOUN
admet-2278	164	7	,	,	PUNCT
admet-2278	164	8	the	the	DET
admet-2278	164	9	lipophilicity	lipophilicity	NOUN
admet-2278	164	10	of	of	ADP
admet-2278	164	11	the	the	DET
admet-2278	164	12	compounds	compound	NOUN
admet-2278	164	13	and	and	CCONJ
admet-2278	164	14	,	,	PUNCT
admet-2278	164	15	consequently	consequently	ADV
admet-2278	164	16	,	,	PUNCT
admet-2278	164	17	their	their	PRON
admet-2278	164	18	log	log	NOUN
admet-2278	164	19	kw	kw	NOUN
admet-2278	164	20	values	value	NOUN
admet-2278	164	21	increase	increase	NOUN
admet-2278	164	22	(	(	PUNCT
admet-2278	164	23	table	table	NOUN
admet-2278	164	24	s2	s2	PROPN
admet-2278	164	25	,	,	PUNCT
admet-2278	164	26	supplementary	supplementary	ADJ
admet-2278	164	27	material	material	NOUN
admet-2278	164	28	)	)	PUNCT
admet-2278	164	29	.	.	PUNCT
admet-2278	165	1	quantitative	quantitative	ADJ
admet-2278	165	2	structure	structure	NOUN
admet-2278	165	3	-	-	PUNCT
admet-2278	165	4	retention	retention	NOUN
admet-2278	165	5	relationship	relationship	NOUN
admet-2278	165	6	models	model	NOUN
admet-2278	165	7	as	as	ADP
admet-2278	165	8	a	a	DET
admet-2278	165	9	result	result	NOUN
admet-2278	165	10	of	of	ADP
admet-2278	165	11	the	the	DET
admet-2278	165	12	qsrr	qsrr	PROPN
admet-2278	165	13	studies	study	NOUN
admet-2278	165	14	applied	apply	VERB
admet-2278	165	15	to	to	ADP
admet-2278	165	16	the	the	DET
admet-2278	165	17	log	log	NOUN
admet-2278	165	18	kw	kw	PROPN
admet-2278	165	19	data	datum	NOUN
admet-2278	165	20	obtained	obtain	VERB
admet-2278	165	21	at	at	ADP
admet-2278	165	22	three	three	NUM
admet-2278	165	23	ph	ph	ADJ
admet-2278	165	24	values	value	NOUN
admet-2278	165	25	(	(	PUNCT
admet-2278	165	26	log	log	NOUN
admet-2278	165	27	kw4.4	kw4.4	VERB
admet-2278	165	28	,	,	PUNCT
admet-2278	165	29	log	log	VERB
admet-2278	165	30	kw7.4	kw7.4	VERB
admet-2278	165	31	and	and	CCONJ
admet-2278	165	32	log	log	VERB
admet-2278	165	33	kw9.1	kw9.1	NUM
admet-2278	165	34	)	)	PUNCT
admet-2278	165	35	,	,	PUNCT
admet-2278	165	36	six	six	NUM
admet-2278	165	37	models	model	NOUN
admet-2278	165	38	were	be	AUX
admet-2278	165	39	created	create	VERB
admet-2278	165	40	:	:	PUNCT
admet-2278	166	1	mlr	mlr	NOUN
admet-2278	166	2	-	-	PUNCT
admet-2278	166	3	qsrr	qsrr	PROPN
admet-2278	166	4	(	(	PUNCT
admet-2278	166	5	log	log	NOUN
admet-2278	166	6	kw4.4	kw4.4	VERB
admet-2278	166	7	)	)	PUNCT
admet-2278	166	8	,	,	PUNCT
admet-2278	166	9	pls	pls	NOUN
admet-2278	166	10	-	-	PUNCT
admet-2278	166	11	qsrr	qsrr	NOUN
admet-2278	166	12	(	(	PUNCT
admet-2278	166	13	log	log	NOUN
admet-2278	166	14	kw4.4	kw4.4	VERB
admet-2278	166	15	)	)	PUNCT
admet-2278	166	16	,	,	PUNCT
admet-2278	166	17	mlr	mlr	NOUN
admet-2278	166	18	-	-	PUNCT
admet-2278	166	19	qsrr	qsrr	PROPN
admet-2278	166	20	(	(	PUNCT
admet-2278	166	21	log	log	NOUN
admet-2278	166	22	kw7.4	kw7.4	VERB
admet-2278	166	23	)	)	PUNCT
admet-2278	166	24	,	,	PUNCT
admet-2278	166	25	plsqsrr	plsqsrr	PROPN
admet-2278	166	26	(	(	PUNCT
admet-2278	166	27	log	log	PROPN
admet-2278	166	28	kw7.4	kw7.4	VERB
admet-2278	166	29	)	)	PUNCT
admet-2278	166	30	,	,	PUNCT
admet-2278	166	31	mlr	mlr	NOUN
admet-2278	166	32	-	-	PUNCT
admet-2278	166	33	qsrr	qsrr	PROPN
admet-2278	166	34	(	(	PUNCT
admet-2278	166	35	log	log	NOUN
admet-2278	166	36	kw9.1	kw9.1	NUM
admet-2278	166	37	)	)	PUNCT
admet-2278	166	38	,	,	PUNCT
admet-2278	166	39	and	and	CCONJ
admet-2278	166	40	pls	pls	INTJ
admet-2278	166	41	-	-	PUNCT
admet-2278	166	42	qsrr	qsrr	NOUN
admet-2278	166	43	(	(	PUNCT
admet-2278	166	44	log	log	NOUN
admet-2278	166	45	kw9.1	kw9.1	NUM
admet-2278	166	46	)	)	PUNCT
admet-2278	166	47	.	.	PUNCT
admet-2278	167	1	the	the	DET
admet-2278	167	2	score	score	NOUN
admet-2278	167	3	plot	plot	NOUN
admet-2278	167	4	of	of	ADP
admet-2278	167	5	the	the	DET
admet-2278	167	6	first	first	ADJ
admet-2278	167	7	two	two	NUM
admet-2278	167	8	components	component	NOUN
admet-2278	167	9	(	(	PUNCT
admet-2278	167	10	t1	t1	NOUN
admet-2278	167	11	vs.	vs.	ADP
admet-2278	167	12	t2	t2	NOUN
admet-2278	167	13	)	)	PUNCT
admet-2278	167	14	at	at	ADP
admet-2278	167	15	each	each	DET
admet-2278	167	16	ph	ph	NOUN
admet-2278	167	17	shows	show	VERB
admet-2278	167	18	a	a	DET
admet-2278	167	19	uniform	uniform	ADJ
admet-2278	167	20	data	datum	NOUN
admet-2278	167	21	distribution	distribution	NOUN
admet-2278	167	22	in	in	ADP
admet-2278	167	23	all	all	DET
admet-2278	167	24	four	four	NUM
admet-2278	167	25	quartiles	quartile	NOUN
admet-2278	167	26	.	.	PUNCT
admet-2278	168	1	tamsulosin	tamsulosin	NOUN
admet-2278	168	2	is	be	AUX
admet-2278	168	3	in	in	ADP
admet-2278	168	4	group	group	NOUN
admet-2278	168	5	with	with	ADP
admet-2278	168	6	oxymetazolin	oxymetazolin	PROPN
admet-2278	168	7	,	,	PUNCT
admet-2278	168	8	clopamide	clopamide	PROPN
admet-2278	168	9	,	,	PUNCT
admet-2278	168	10	indapamide	indapamide	ADV
admet-2278	168	11	,	,	PUNCT
admet-2278	168	12	carvedilol	carvedilol	NOUN
admet-2278	168	13	,	,	PUNCT
admet-2278	168	14	doxazosin	doxazosin	NOUN
admet-2278	168	15	and	and	CCONJ
admet-2278	168	16	oxymetazoline	oxymetazoline	NOUN
admet-2278	168	17	.	.	PUNCT
admet-2278	169	1	these	these	DET
admet-2278	169	2	compounds	compound	NOUN
admet-2278	169	3	are	be	AUX
admet-2278	169	4	characterized	characterize	VERB
admet-2278	169	5	by	by	ADP
admet-2278	169	6	the	the	DET
admet-2278	169	7	highest	high	ADJ
admet-2278	169	8	descriptor	descriptor	NOUN
admet-2278	169	9	values	value	NOUN
admet-2278	169	10	with	with	ADP
admet-2278	169	11	tamsulosin	tamsulosin	NOUN
admet-2278	169	12	lying	lie	VERB
admet-2278	169	13	outside	outside	ADV
admet-2278	169	14	or	or	CCONJ
admet-2278	169	15	on	on	ADP
admet-2278	169	16	the	the	DET
admet-2278	169	17	hoteling	hotele	VERB
admet-2278	169	18	t2	t2	NOUN
admet-2278	169	19	ellipse	ellipse	NOUN
admet-2278	169	20	.	.	PUNCT
admet-2278	170	1	thus	thus	ADV
admet-2278	170	2	,	,	PUNCT
admet-2278	170	3	tamsulosin	tamsulosin	NOUN
admet-2278	170	4	was	be	AUX
admet-2278	170	5	identified	identify	VERB
admet-2278	170	6	as	as	ADP
admet-2278	170	7	an	an	DET
admet-2278	170	8	outlier	outlier	NOUN
admet-2278	170	9	in	in	ADP
admet-2278	170	10	all	all	DET
admet-2278	170	11	chromatographic	chromatographic	ADJ
admet-2278	170	12	models	model	NOUN
admet-2278	170	13	.	.	PUNCT
admet-2278	171	1	for	for	ADP
admet-2278	171	2	the	the	DET
admet-2278	171	3	generation	generation	NOUN
admet-2278	171	4	of	of	ADP
admet-2278	171	5	qsrr	qsrr	NOUN
admet-2278	171	6	models	model	NOUN
admet-2278	171	7	at	at	ADP
admet-2278	171	8	ph	ph	PROPN
admet-2278	171	9	4.4	4.4	NUM
admet-2278	171	10	,	,	PUNCT
admet-2278	171	11	21	21	NUM
admet-2278	171	12	compounds	compound	NOUN
admet-2278	171	13	were	be	AUX
admet-2278	171	14	used	use	VERB
admet-2278	171	15	in	in	ADP
admet-2278	171	16	the	the	DET
admet-2278	171	17	training	training	NOUN
admet-2278	171	18	set	set	NOUN
admet-2278	171	19	,	,	PUNCT
admet-2278	171	20	while	while	SCONJ
admet-2278	171	21	the	the	DET
admet-2278	171	22	remaining	remain	VERB
admet-2278	171	23	7	7	NUM
admet-2278	171	24	compounds	compound	NOUN
admet-2278	171	25	(	(	PUNCT
admet-2278	171	26	clopamide	clopamide	PROPN
admet-2278	171	27	,	,	PUNCT
admet-2278	171	28	clozapine	clozapine	NOUN
admet-2278	171	29	,	,	PUNCT
admet-2278	171	30	ephedrine	ephedrine	NOUN
admet-2278	171	31	,	,	PUNCT
admet-2278	171	32	harman	harman	PROPN
admet-2278	171	33	,	,	PUNCT
admet-2278	171	34	mianserin	mianserin	NOUN
admet-2278	171	35	,	,	PUNCT
admet-2278	171	36	naphazoline	naphazoline	NOUN
admet-2278	171	37	,	,	PUNCT
admet-2278	171	38	tizanidine	tizanidine	NOUN
admet-2278	171	39	)	)	PUNCT
admet-2278	171	40	were	be	AUX
admet-2278	171	41	used	use	VERB
admet-2278	171	42	in	in	ADP
admet-2278	171	43	the	the	DET
admet-2278	171	44	test	test	NOUN
admet-2278	171	45	set	set	NOUN
admet-2278	171	46	.	.	PUNCT
admet-2278	172	1	using	use	VERB
admet-2278	172	2	the	the	DET
admet-2278	172	3	stepwise	stepwise	PROPN
admet-2278	172	4	mlr	mlr	NOUN
admet-2278	172	5	method	method	NOUN
admet-2278	172	6	,	,	PUNCT
admet-2278	172	7	4	4	NUM
admet-2278	172	8	descriptors	descriptor	NOUN
admet-2278	172	9	with	with	ADP
admet-2278	172	10	the	the	DET
admet-2278	172	11	greatest	great	ADJ
admet-2278	172	12	influence	influence	NOUN
admet-2278	172	13	on	on	ADP
admet-2278	172	14	the	the	DET
admet-2278	172	15	dependent	dependent	ADJ
admet-2278	172	16	variable	variable	ADJ
admet-2278	172	17	log	log	NOUN
admet-2278	172	18	kw4.4	kw4.4	PUNCT
admet-2278	172	19	were	be	AUX
admet-2278	172	20	selected	select	VERB
admet-2278	172	21	,	,	PUNCT
admet-2278	172	22	equation	equation	NOUN
admet-2278	172	23	(	(	PUNCT
admet-2278	172	24	11	11	NUM
admet-2278	172	25	):	):	PUNCT
admet-2278	172	26	mlr	mlr	NOUN
admet-2278	172	27	-	-	PUNCT
admet-2278	172	28	qsrr	qsrr	PROPN
admet-2278	172	29	(	(	PUNCT
admet-2278	172	30	log	log	NOUN
admet-2278	172	31	kw4.4	kw4.4	PRON
admet-2278	172	32	)	)	PUNCT
admet-2278	172	33	=	=	VERB
admet-2278	172	34	-5.24598	-5.24598	NOUN
admet-2278	173	1	+	+	CCONJ
admet-2278	173	2	0.64963×sm06_ea	0.64963×sm06_ea	NUM
admet-2278	173	3	–	–	PUNCT
admet-2278	173	4	9.89747×ve2_b(s	9.89747×ve2_b(s	NUM
admet-2278	173	5	)	)	PUNCT
admet-2278	173	6	–	–	PUNCT
admet-2278	173	7	0.12794×spmax8_bh(v	0.12794×spmax8_bh(v	NUM
admet-2278	173	8	)	)	PUNCT
admet-2278	174	1	+	+	NUM
admet-2278	174	2	1.51417×spmax5_bh(p	1.51417×spmax5_bh(p	NUM
admet-2278	174	3	)	)	PUNCT
admet-2278	174	4	(	(	PUNCT
admet-2278	174	5	11	11	NUM
admet-2278	174	6	)	)	PUNCT
admet-2278	174	7	while	while	SCONJ
admet-2278	174	8	statistically	statistically	ADV
admet-2278	174	9	,	,	PUNCT
admet-2278	174	10	the	the	DET
admet-2278	174	11	most	most	ADV
admet-2278	174	12	significant	significant	ADJ
admet-2278	174	13	pls	pls	ADJ
admet-2278	174	14	-	-	PUNCT
admet-2278	174	15	qsrr	qsrr	NOUN
admet-2278	174	16	model	model	NOUN
admet-2278	174	17	was	be	AUX
admet-2278	174	18	formed	form	VERB
admet-2278	174	19	with	with	ADP
admet-2278	174	20	6	6	NUM
admet-2278	174	21	descriptors	descriptor	NOUN
admet-2278	174	22	,	,	PUNCT
admet-2278	174	23	equation	equation	NOUN
admet-2278	174	24	(	(	PUNCT
admet-2278	174	25	12	12	NUM
admet-2278	174	26	):	):	PUNCT
admet-2278	174	27	pls	pls	NOUN
admet-2278	174	28	-	-	PUNCT
admet-2278	174	29	qsrr	qsrr	NOUN
admet-2278	174	30	(	(	PUNCT
admet-2278	174	31	log	log	NOUN
admet-2278	174	32	kw4.4	kw4.4	PRON
admet-2278	174	33	)	)	PUNCT
admet-2278	174	34	=	=	SYM
admet-2278	174	35	ƒ(h_dz(p);ve2_dz(p);spmax5_bh(e);spmax5_bh(i);sm02_ea(ri);sm04_ea(ri	ƒ(h_dz(p);ve2_dz(p);spmax5_bh(e);spmax5_bh(i);sm02_ea(ri);sm04_ea(ri	X
admet-2278	174	36	)	)	PUNCT
admet-2278	174	37	)	)	PUNCT
admet-2278	175	1	(	(	PUNCT
admet-2278	175	2	12	12	X
admet-2278	175	3	)	)	PUNCT
admet-2278	175	4	better	well	ADJ
admet-2278	175	5	regression	regression	NOUN
admet-2278	175	6	and	and	CCONJ
admet-2278	175	7	validation	validation	NOUN
admet-2278	175	8	parameters	parameter	NOUN
admet-2278	175	9	(	(	PUNCT
admet-2278	175	10	tables	table	NOUN
admet-2278	175	11	1	1	NUM
admet-2278	175	12	and	and	CCONJ
admet-2278	175	13	2	2	NUM
admet-2278	175	14	)	)	PUNCT
admet-2278	175	15	were	be	AUX
admet-2278	175	16	obtained	obtain	VERB
admet-2278	175	17	for	for	ADP
admet-2278	175	18	the	the	DET
admet-2278	175	19	pls	pls	NOUN
admet-2278	175	20	-	-	PUNCT
admet-2278	175	21	qsrr(log	qsrr(log	PROPN
admet-2278	175	22	kw4.4	kw4.4	PROPN
admet-2278	175	23	)	)	PUNCT
admet-2278	175	24	model	model	NOUN
admet-2278	175	25	(	(	PUNCT
admet-2278	175	26	q2	q2	NOUN
admet-2278	175	27	=	=	SYM
admet-2278	175	28	0.865	0.865	NUM
admet-2278	175	29	,	,	PUNCT
admet-2278	175	30	rmsep	rmsep	NOUN
admet-2278	175	31	=	=	SYM
admet-2278	175	32	0.325	0.325	NUM
admet-2278	175	33	,	,	PUNCT
admet-2278	175	34	f=	f=	PROPN
admet-2278	175	35	57.524	57.524	NUM
admet-2278	175	36	,	,	PUNCT
admet-2278	175	37	p	p	X
admet-2278	175	38	=	=	SYM
admet-2278	175	39	1.52e-08	1.52e-08	NOUN
admet-2278	175	40	)	)	PUNCT
admet-2278	175	41	compared	compare	VERB
admet-2278	175	42	to	to	ADP
admet-2278	175	43	the	the	DET
admet-2278	175	44	mlr	mlr	NOUN
admet-2278	175	45	-	-	NOUN
admet-2278	175	46	qsrr(log	qsrr(log	PROPN
admet-2278	175	47	kw4.4	kw4.4	PROPN
admet-2278	175	48	)	)	PUNCT
admet-2278	175	49	model	model	NOUN
admet-2278	175	50	(	(	PUNCT
admet-2278	175	51	q2	q2	NOUN
admet-2278	175	52	=	=	SYM
admet-2278	175	53	0.764	0.764	NUM
admet-2278	175	54	,	,	PUNCT
admet-2278	175	55	rmsep	rmsep	NOUN
admet-2278	175	56	=	=	NOUN
admet-2278	175	57	0.496	0.496	NUM
admet-2278	175	58	,	,	PUNCT
admet-2278	175	59	f	f	PROPN
admet-2278	175	60	=	=	SYM
admet-2278	175	61	23.502	23.502	NUM
admet-2278	175	62	,	,	PUNCT
admet-2278	175	63	p	p	X
admet-2278	175	64	=	=	PROPN
admet-2278	175	65	1.57e-06	1.57e-06	NUM
admet-2278	175	66	)	)	PUNCT
admet-2278	175	67	,	,	PUNCT
admet-2278	175	68	so	so	SCONJ
admet-2278	175	69	that	that	SCONJ
admet-2278	175	70	the	the	DET
admet-2278	175	71	pls	pls	NOUN
admet-2278	175	72	-	-	PUNCT
admet-2278	175	73	qsrr	qsrr	NOUN
admet-2278	175	74	(	(	PUNCT
admet-2278	175	75	log	log	PROPN
admet-2278	175	76	kw4.4	kw4.4	NOUN
admet-2278	175	77	)	)	PUNCT
admet-2278	175	78	model	model	NOUN
admet-2278	175	79	was	be	AUX
admet-2278	175	80	selected	select	VERB
admet-2278	175	81	as	as	ADP
admet-2278	175	82	optimal	optimal	ADJ
admet-2278	175	83	for	for	ADP
admet-2278	175	84	the	the	DET
admet-2278	175	85	prediction	prediction	NOUN
admet-2278	175	86	of	of	ADP
admet-2278	175	87	retention	retention	NOUN
admet-2278	175	88	behaviour	behaviour	NOUN
admet-2278	175	89	at	at	ADP
admet-2278	175	90	ph	ph	PROPN
admet-2278	175	91	4.4	4.4	NUM
admet-2278	175	92	.	.	PUNCT
admet-2278	176	1	table	table	NOUN
admet-2278	176	2	1	1	NUM
admet-2278	176	3	.	.	PUNCT
admet-2278	177	1	the	the	DET
admet-2278	177	2	most	most	ADV
admet-2278	177	3	important	important	ADJ
admet-2278	177	4	statistical	statistical	ADJ
admet-2278	177	5	parameters	parameter	NOUN
admet-2278	177	6	obtained	obtain	VERB
admet-2278	177	7	for	for	ADP
admet-2278	177	8	mlr	mlr	NOUN
admet-2278	177	9	-	-	PUNCT
admet-2278	177	10	qsrr	qsrr	PROPN
admet-2278	177	11	and	and	CCONJ
admet-2278	177	12	pls	pls	NOUN
admet-2278	177	13	-	-	PUNCT
admet-2278	177	14	qsrr	qsrr	NOUN
admet-2278	177	15	models	model	NOUN
admet-2278	177	16	model	model	PROPN
admet-2278	177	17	q2	q2	PROPN
admet-2278	177	18	r2y	r2y	PUNCT
admet-2278	177	19	f	f	PROPN
admet-2278	177	20	p	p	X
admet-2278	177	21	rmsee	rmsee	ADJ
admet-2278	177	22	rmsep	rmsep	PROPN
admet-2278	177	23	r2	r2	PROPN
admet-2278	177	24	intercept	intercept	PROPN
admet-2278	177	25	q2	q2	PROPN
admet-2278	177	26	intercept	intercept	PROPN
admet-2278	177	27	mlr	mlr	PROPN
admet-2278	177	28	-	-	PUNCT
admet-2278	177	29	qsrr	qsrr	PROPN
admet-2278	177	30	(	(	PUNCT
admet-2278	177	31	log	log	NOUN
admet-2278	177	32	kw4.4	kw4.4	VERB
admet-2278	177	33	)	)	PUNCT
admet-2278	177	34	0.764	0.764	NUM
admet-2278	177	35	0.855	0.855	NUM
admet-2278	177	36	23.502	23.502	NUM
admet-2278	177	37	1.57×10	1.57×10	NUM
admet-2278	177	38	-	-	SYM
admet-2278	177	39	6	6	NUM
admet-2278	177	40	0.369	0.369	NUM
admet-2278	177	41	0.496	0.496	NUM
admet-2278	177	42	pls	pls	NOUN
admet-2278	177	43	-	-	PUNCT
admet-2278	177	44	qsrr	qsrr	PROPN
admet-2278	177	45	(	(	PUNCT
admet-2278	177	46	log	log	NOUN
admet-2278	177	47	kw4.4	kw4.4	VERB
admet-2278	177	48	)	)	PUNCT
admet-2278	177	49	0.865	0.865	NUM
admet-2278	177	50	0.876	0.876	NUM
admet-2278	177	51	57.524	57.524	NUM
admet-2278	177	52	1.52×10	1.52×10	NUM
admet-2278	177	53	-	-	SYM
admet-2278	177	54	8	8	NUM
admet-2278	177	55	0.341	0.341	NUM
admet-2278	177	56	0.325	0.325	NUM
admet-2278	177	57	-0.0969	-0.0969	NOUN
admet-2278	177	58	-0.210	-0.210	PROPN
admet-2278	177	59	mlr	mlr	NOUN
admet-2278	177	60	-	-	PUNCT
admet-2278	177	61	qsrr	qsrr	PROPN
admet-2278	177	62	(	(	PUNCT
admet-2278	177	63	log	log	NOUN
admet-2278	177	64	kw7.4	kw7.4	VERB
admet-2278	177	65	)	)	PUNCT
admet-2278	177	66	0.846	0.846	NUM
admet-2278	177	67	0.907	0.907	NUM
admet-2278	177	68	54.995	54.995	NUM
admet-2278	177	69	5.82×10	5.82×10	NUM
admet-2278	177	70	-	-	SYM
admet-2278	177	71	9	9	NUM
admet-2278	177	72	0.365	0.365	NUM
admet-2278	177	73	0.446	0.446	NUM
admet-2278	177	74	pls	pls	NOUN
admet-2278	177	75	-	-	PUNCT
admet-2278	177	76	qsrr	qsrr	NOUN
admet-2278	177	77	(	(	PUNCT
admet-2278	177	78	log	log	NOUN
admet-2278	177	79	kw7.4	kw7.4	VERB
admet-2278	177	80	)	)	PUNCT
admet-2278	177	81	0.883	0.883	NUM
admet-2278	177	82	0.903	0.903	NUM
admet-2278	177	83	28.978	28.978	NUM
admet-2278	177	84	3.76×10	3.76×10	NUM
admet-2278	177	85	-	-	SYM
admet-2278	177	86	7	7	NUM
admet-2278	177	87	0.371	0.371	NUM
admet-2278	177	88	0.378	0.378	NUM
admet-2278	177	89	0.0091	0.0091	NUM
admet-2278	177	90	-0.279	-0.279	NUM
admet-2278	177	91	mlr	mlr	NOUN
admet-2278	177	92	-	-	NOUN
admet-2278	177	93	qsrr	qsrr	PROPN
admet-2278	177	94	(	(	PUNCT
admet-2278	177	95	log	log	NOUN
admet-2278	177	96	kw9.1	kw9.1	NUM
admet-2278	177	97	)	)	PUNCT
admet-2278	177	98	0.931	0.931	NUM
admet-2278	177	99	0.953	0.953	NUM
admet-2278	177	100	113.538	113.538	NUM
admet-2278	177	101	1.91×10	1.91×10	NUM
admet-2278	177	102	-	-	SYM
admet-2278	177	103	11	11	NUM
admet-2278	177	104	0.226	0.226	NUM
admet-2278	177	105	0.353	0.353	NUM
admet-2278	177	106	pls	pls	PROPN
admet-2278	177	107	-	-	PUNCT
admet-2278	177	108	qsrr	qsrr	NOUN
admet-2278	177	109	(	(	PUNCT
admet-2278	177	110	log	log	NOUN
admet-2278	177	111	kw9.1	kw9.1	PRON
admet-2278	177	112	)	)	PUNCT
admet-2278	177	113	0.915	0.915	NUM
admet-2278	177	114	0.924	0.924	NUM
admet-2278	177	115	96.874	96.874	NUM
admet-2278	177	116	2.32×10	2.32×10	NUM
admet-2278	177	117	-	-	SYM
admet-2278	177	118	10	10	NUM
admet-2278	177	119	0.286	0.286	NUM
admet-2278	177	120	0.359	0.359	NUM
admet-2278	177	121	-0.0781	-0.0781	NOUN
admet-2278	177	122	-0.224	-0.224	X
admet-2278	177	123	table	table	NOUN
admet-2278	177	124	2	2	NUM
admet-2278	177	125	.	.	PUNCT
admet-2278	177	126	external	external	ADJ
admet-2278	177	127	validation	validation	NOUN
admet-2278	177	128	parameters	parameter	NOUN
admet-2278	177	129	for	for	ADP
admet-2278	177	130	qsrr	qsrr	NOUN
admet-2278	177	131	models	model	NOUN
admet-2278	177	132	,	,	PUNCT
admet-2278	177	133	based	base	VERB
admet-2278	177	134	on	on	ADP
admet-2278	177	135	golbraikh	golbraikh	NOUN
admet-2278	177	136	,	,	PUNCT
admet-2278	177	137	tropsha	tropsha	PROPN
admet-2278	177	138	,	,	PUNCT
admet-2278	177	139	and	and	CCONJ
admet-2278	177	140	roy	roy	PROPN
admet-2278	177	141	[	[	X
admet-2278	177	142	22	22	NUM
admet-2278	177	143	-	-	SYM
admet-2278	177	144	24	24	NUM
admet-2278	177	145	]	]	PUNCT
admet-2278	177	146	model	model	NOUN
admet-2278	177	147	r2	r2	PROPN
admet-2278	177	148	r0	r0	PROPN
admet-2278	177	149	2	2	NUM
admet-2278	177	150	(	(	PUNCT
admet-2278	177	151	r2	r2	NOUN
admet-2278	177	152	-	-	PUNCT
admet-2278	177	153	r0	r0	NOUN
admet-2278	177	154	2)/r2	2)/r2	NUM
admet-2278	177	155	k	k	NOUN
admet-2278	177	156	r'02	r'02	PROPN
admet-2278	177	157	(	(	PUNCT
admet-2278	177	158	r2	r2	NOUN
admet-2278	177	159	-	-	PUNCT
admet-2278	177	160	r'02)/r2	r'02)/r2	NOUN
admet-2278	177	161	k	k	NOUN
admet-2278	177	162	'	'	PUNCT
admet-2278	177	163	r2	r2	NOUN
admet-2278	177	164	pred	pre	VERB
admet-2278	177	165	2	2	NUM
admet-2278	178	1	mr	mr	PROPN
admet-2278	178	2	2	2	NUM
admet-2278	178	3	mr	mr	NOUN
admet-2278	178	4	2	2	NUM
admet-2278	178	5	mr	mr	PROPN
admet-2278	178	6	2	2	NUM
admet-2278	178	7	mr	mr	NOUN
admet-2278	178	8	mlr	mlr	NOUN
admet-2278	178	9	-	-	NOUN
admet-2278	178	10	qsrr	qsrr	PROPN
admet-2278	178	11	(	(	PUNCT
admet-2278	178	12	logkw4.4	logkw4.4	PROPN
admet-2278	178	13	)	)	PUNCT
admet-2278	178	14	0.635	0.635	NUM
admet-2278	178	15	0.618	0.618	NUM
admet-2278	178	16	0.028	0.028	NUM
admet-2278	178	17	0.981	0.981	NUM
admet-2278	178	18	0.578	0.578	NUM
admet-2278	178	19	0.090	0.090	NUM
admet-2278	178	20	0.950	0.950	NUM
admet-2278	178	21	0.617	0.617	NUM
admet-2278	178	22	0.551	0.551	NUM
admet-2278	178	23	0.484	0.484	NUM
admet-2278	178	24	0.517	0.517	NUM
admet-2278	178	25	0.067	0.067	NUM
admet-2278	178	26	pls	pls	INTJ
admet-2278	178	27	-	-	PUNCT
admet-2278	178	28	qsrr	qsrr	NOUN
admet-2278	178	29	(	(	PUNCT
admet-2278	178	30	logkw4.4	logkw4.4	PROPN
admet-2278	178	31	)	)	PUNCT
admet-2278	178	32	0.835	0.835	NUM
admet-2278	178	33	0.835	0.835	NUM
admet-2278	178	34	0.000	0.000	NUM
admet-2278	178	35	1.003	1.003	NUM
admet-2278	178	36	0.806	0.806	NUM
admet-2278	178	37	0.035	0.035	NUM
admet-2278	179	1	0.968	0.968	NUM
admet-2278	179	2	0.835	0.835	NUM
admet-2278	179	3	0.830	0.830	NUM
admet-2278	179	4	0.693	0.693	NUM
admet-2278	179	5	0.762	0.762	NUM
admet-2278	179	6	0.138	0.138	NUM
admet-2278	179	7	mlr	mlr	NOUN
admet-2278	179	8	-	-	PUNCT
admet-2278	179	9	qsrr	qsrr	NOUN
admet-2278	179	10	(	(	PUNCT
admet-2278	179	11	logkw7.4	logkw7.4	PROPN
admet-2278	179	12	)	)	PUNCT
admet-2278	179	13	0.829	0.829	NUM
admet-2278	179	14	0.782	0.782	NUM
admet-2278	179	15	0.056	0.056	NUM
admet-2278	179	16	0.943	0.943	NUM
admet-2278	179	17	0.827	0.827	NUM
admet-2278	179	18	0.002	0.002	NUM
admet-2278	179	19	1.015	1.015	NUM
admet-2278	179	20	0.766	0.766	NUM
admet-2278	179	21	0.650	0.650	NUM
admet-2278	179	22	0.793	0.793	NUM
admet-2278	179	23	0.722	0.722	NUM
admet-2278	179	24	0.144	0.144	NUM
admet-2278	179	25	pls	pls	NOUN
admet-2278	179	26	-	-	PUNCT
admet-2278	179	27	qsrr	qsrr	NOUN
admet-2278	180	1	(	(	PUNCT
admet-2278	180	2	logkw7.4	logkw7.4	PROPN
admet-2278	180	3	)	)	PUNCT
admet-2278	180	4	0.854	0.854	NUM
admet-2278	180	5	0.839	0.839	NUM
admet-2278	180	6	0.018	0.018	NUM
admet-2278	180	7	0.962	0.962	NUM
admet-2278	180	8	0.854	0.854	NUM
admet-2278	180	9	0.000	0.000	NUM
admet-2278	180	10	1.006	1.006	NUM
admet-2278	180	11	0.832	0.832	NUM
admet-2278	180	12	0.748	0.748	NUM
admet-2278	180	13	0.843	0.843	NUM
admet-2278	180	14	0.796	0.796	NUM
admet-2278	180	15	0.095	0.095	NUM
admet-2278	180	16	mlr	mlr	NOUN
admet-2278	180	17	-	-	PUNCT
admet-2278	180	18	qsrr	qsrr	PROPN
admet-2278	180	19	(	(	PUNCT
admet-2278	180	20	logkw9.1	logkw9.1	PROPN
admet-2278	180	21	)	)	PUNCT
admet-2278	180	22	0.910	0.910	NUM
admet-2278	180	23	0.877	0.877	NUM
admet-2278	180	24	0.036	0.036	NUM
admet-2278	180	25	0.960	0.960	NUM
admet-2278	180	26	0.802	0.802	NUM
admet-2278	180	27	0.118	0.118	NUM
admet-2278	180	28	1.022	1.022	NUM
admet-2278	180	29	0.872	0.872	NUM
admet-2278	180	30	0.745	0.745	NUM
admet-2278	180	31	0.611	0.611	NUM
admet-2278	180	32	0.678	0.678	NUM
admet-2278	180	33	0.134	0.134	NUM
admet-2278	180	34	pls	pls	NOUN
admet-2278	180	35	-	-	PUNCT
admet-2278	180	36	qsrr	qsrr	NOUN
admet-2278	180	37	(	(	PUNCT
admet-2278	180	38	logkw9.1	logkw9.1	X
admet-2278	180	39	)	)	PUNCT
admet-2278	181	1	0.874	0.874	NUM
admet-2278	182	1	0.872	0.872	NUM
admet-2278	182	2	0.002	0.002	NUM
admet-2278	182	3	0.960	0.960	NUM
admet-2278	182	4	0.868	0.868	NUM
admet-2278	182	5	0.007	0.007	NUM
admet-2278	182	6	1.022	1.022	NUM
admet-2278	182	7	0.868	0.868	NUM
admet-2278	182	8	0.838	0.838	NUM
admet-2278	182	9	0.805	0.805	NUM
admet-2278	182	10	0.822	0.822	NUM
admet-2278	182	11	0.033	0.033	NUM
admet-2278	182	12	https://doi.org/10.5599/admet.2278	https://doi.org/10.5599/admet.2278	PROPN
admet-2278	182	13	s.	s.	PROPN
admet-2278	182	14	oljacic	oljacic	VERB
admet-2278	182	15	et	et	PROPN
admet-2278	182	16	al	al	PROPN
admet-2278	182	17	.	.	PROPN
admet-2278	182	18	admet	admet	PROPN
admet-2278	182	19	&	&	CCONJ
admet-2278	182	20	dmpk	dmpk	PROPN
admet-2278	182	21	12(5	12(5	NUM
admet-2278	182	22	)	)	PUNCT
admet-2278	182	23	(	(	PUNCT
admet-2278	182	24	2024	2024	NUM
admet-2278	182	25	)	)	PUNCT
admet-2278	182	26	737	737	NUM
admet-2278	182	27	-	-	SYM
admet-2278	182	28	757	757	NUM
admet-2278	182	29	746	746	NUM
admet-2278	182	30	the	the	DET
admet-2278	182	31	qsrr	qsrr	NOUN
admet-2278	182	32	models	model	NOUN
admet-2278	182	33	at	at	ADP
admet-2278	182	34	ph	ph	PROPN
admet-2278	182	35	7.4	7.4	NUM
admet-2278	182	36	were	be	AUX
admet-2278	182	37	created	create	VERB
admet-2278	182	38	with	with	ADP
admet-2278	182	39	a	a	DET
admet-2278	182	40	training	training	NOUN
admet-2278	182	41	set	set	NOUN
admet-2278	182	42	of	of	ADP
admet-2278	182	43	21	21	NUM
admet-2278	182	44	compounds	compound	NOUN
admet-2278	182	45	,	,	PUNCT
admet-2278	182	46	while	while	SCONJ
admet-2278	182	47	the	the	DET
admet-2278	182	48	remaining	remain	VERB
admet-2278	182	49	7	7	NUM
admet-2278	182	50	compounds	compound	NOUN
admet-2278	182	51	(	(	PUNCT
admet-2278	182	52	clonidine	clonidine	NOUN
admet-2278	182	53	,	,	PUNCT
admet-2278	182	54	ephedrine	ephedrine	NOUN
admet-2278	182	55	,	,	PUNCT
admet-2278	182	56	maprotiline	maprotiline	ADJ
admet-2278	182	57	,	,	PUNCT
admet-2278	182	58	olanzapine	olanzapine	NOUN
admet-2278	182	59	,	,	PUNCT
admet-2278	182	60	tizanidine	tizanidine	NOUN
admet-2278	182	61	,	,	PUNCT
admet-2278	182	62	triamterene	triamterene	NOUN
admet-2278	182	63	,	,	PUNCT
admet-2278	182	64	xylometazoline	xylometazoline	PROPN
admet-2278	182	65	)	)	PUNCT
admet-2278	182	66	were	be	AUX
admet-2278	182	67	used	use	VERB
admet-2278	182	68	in	in	ADP
admet-2278	182	69	the	the	DET
admet-2278	182	70	test	test	NOUN
admet-2278	182	71	set	set	NOUN
admet-2278	182	72	.	.	PUNCT
admet-2278	183	1	the	the	DET
admet-2278	183	2	best	good	ADJ
admet-2278	183	3	mlr	mlr	NOUN
admet-2278	183	4	-	-	PUNCT
admet-2278	183	5	qsrr	qsrr	PROPN
admet-2278	183	6	model	model	NOUN
admet-2278	183	7	was	be	AUX
admet-2278	183	8	obtained	obtain	VERB
admet-2278	183	9	with	with	ADP
admet-2278	183	10	3	3	NUM
admet-2278	183	11	descriptors	descriptor	NOUN
admet-2278	183	12	,	,	PUNCT
admet-2278	183	13	equation	equation	NOUN
admet-2278	183	14	(	(	PUNCT
admet-2278	183	15	13	13	NUM
admet-2278	183	16	):	):	PUNCT
admet-2278	183	17	mlr	mlr	NOUN
admet-2278	183	18	-	-	NOUN
admet-2278	183	19	qsrr(log	qsrr(log	NOUN
admet-2278	183	20	kw7.4	kw7.4	NUM
admet-2278	183	21	)	)	PUNCT
admet-2278	183	22	=	=	PRON
admet-2278	184	1	5.91899	5.91899	NUM
admet-2278	184	2	22.05690×ve2_dt	22.05690×ve2_dt	NUM
admet-2278	184	3	+	+	CCONJ
admet-2278	184	4	0.00274×qxxp	0.00274×qxxp	NUM
admet-2278	184	5	+	+	CCONJ
admet-2278	184	6	0.02905×f02[c	0.02905×f02[c	NOUN
admet-2278	184	7	-	-	PUNCT
admet-2278	184	8	c	c	NOUN
admet-2278	184	9	]	]	X
admet-2278	184	10	(	(	PUNCT
admet-2278	184	11	13	13	NUM
admet-2278	184	12	)	)	PUNCT
admet-2278	184	13	the	the	DET
admet-2278	184	14	pls	pls	NOUN
admet-2278	184	15	analysis	analysis	NOUN
admet-2278	184	16	resulted	result	VERB
admet-2278	184	17	in	in	ADP
admet-2278	184	18	the	the	DET
admet-2278	184	19	model	model	NOUN
admet-2278	184	20	with	with	ADP
admet-2278	184	21	five	five	NUM
admet-2278	184	22	important	important	ADJ
admet-2278	184	23	descriptors	descriptor	NOUN
admet-2278	184	24	,	,	PUNCT
admet-2278	184	25	equation	equation	NOUN
admet-2278	184	26	(	(	PUNCT
admet-2278	184	27	14	14	NUM
admet-2278	184	28	):	):	PUNCT
admet-2278	184	29	pls	pls	NOUN
admet-2278	184	30	-	-	PUNCT
admet-2278	184	31	qsrr	qsrr	NOUN
admet-2278	184	32	(	(	PUNCT
admet-2278	184	33	log	log	NOUN
admet-2278	184	34	kw7.4	kw7.4	NUM
admet-2278	184	35	)	)	PUNCT
admet-2278	184	36	=	=	SYM
admet-2278	185	1	ƒ(ho_dt	ƒ(ho_dt	PROPN
admet-2278	185	2	;	;	PUNCT
admet-2278	185	3	sm3_dt	sm3_dt	NUM
admet-2278	185	4	;	;	PUNCT
admet-2278	185	5	ve2_dt	ve2_dt	NUM
admet-2278	185	6	;	;	PUNCT
admet-2278	185	7	h_d	h_d	SYM
admet-2278	185	8	/	/	SYM
admet-2278	185	9	dt	dt	PROPN
admet-2278	185	10	;	;	PUNCT
admet-2278	185	11	logd	logd	VERB
admet-2278	185	12	7.4	7.4	NUM
admet-2278	185	13	)	)	PUNCT
admet-2278	185	14	(	(	PUNCT
admet-2278	185	15	14	14	NUM
admet-2278	185	16	)	)	PUNCT
admet-2278	185	17	although	although	SCONJ
admet-2278	185	18	the	the	DET
admet-2278	185	19	mlr	mlr	NOUN
admet-2278	185	20	-	-	PUNCT
admet-2278	185	21	qsrr	qsrr	PROPN
admet-2278	185	22	(	(	PUNCT
admet-2278	185	23	log	log	PROPN
admet-2278	185	24	kw7.4	kw7.4	VERB
admet-2278	185	25	)	)	PUNCT
admet-2278	185	26	model	model	NOUN
admet-2278	185	27	has	have	VERB
admet-2278	185	28	statistically	statistically	ADV
admet-2278	185	29	more	more	ADV
admet-2278	185	30	significant	significant	ADJ
admet-2278	185	31	values	value	NOUN
admet-2278	185	32	for	for	ADP
admet-2278	185	33	f	f	PROPN
admet-2278	185	34	,	,	PUNCT
admet-2278	185	35	p	p	NOUN
admet-2278	185	36	and	and	CCONJ
admet-2278	185	37	r2	r2	PROPN
admet-2278	185	38	than	than	ADP
admet-2278	185	39	the	the	DET
admet-2278	185	40	pls	pls	NOUN
admet-2278	185	41	-	-	PUNCT
admet-2278	185	42	qsrr	qsrr	NOUN
admet-2278	185	43	(	(	PUNCT
admet-2278	185	44	log	log	NOUN
admet-2278	185	45	kw7.4	kw7.4	VERB
admet-2278	185	46	)	)	PUNCT
admet-2278	185	47	model	model	NOUN
admet-2278	185	48	,	,	PUNCT
admet-2278	185	49	better	well	ADJ
admet-2278	185	50	validation	validation	NOUN
admet-2278	185	51	parameters	parameter	NOUN
admet-2278	185	52	(	(	PUNCT
admet-2278	185	53	q2	q2	NOUN
admet-2278	185	54	=	=	PUNCT
admet-2278	185	55	0.883	0.883	NUM
admet-2278	185	56	;	;	PUNCT
admet-2278	185	57	r2	r2	PROPN
admet-2278	185	58	test=0.854	test=0.854	NUM
admet-2278	185	59	;	;	PUNCT
admet-2278	185	60	rmsep	rmsep	NOUN
admet-2278	185	61	=	=	SYM
admet-2278	185	62	0.378	0.378	NUM
admet-2278	185	63	)	)	PUNCT
admet-2278	185	64	for	for	ADP
admet-2278	185	65	the	the	DET
admet-2278	185	66	pls	pls	PROPN
admet-2278	185	67	model	model	NOUN
admet-2278	185	68	compared	compare	VERB
admet-2278	185	69	to	to	ADP
admet-2278	185	70	the	the	DET
admet-2278	185	71	mlr	mlr	NOUN
admet-2278	185	72	model	model	NOUN
admet-2278	185	73	(	(	PUNCT
admet-2278	185	74	(	(	PUNCT
admet-2278	185	75	q2	q2	NOUN
admet-2278	185	76	=	=	SYM
admet-2278	185	77	0.846	0.846	NUM
admet-2278	185	78	;	;	PUNCT
admet-2278	185	79	r2	r2	PROPN
admet-2278	185	80	test	test	NOUN
admet-2278	185	81	=	=	PUNCT
admet-2278	185	82	0.829	0.829	NUM
admet-2278	185	83	;	;	PUNCT
admet-2278	185	84	rmsep	rmsep	NOUN
admet-2278	185	85	=	=	NOUN
admet-2278	185	86	0.446	0.446	NUM
admet-2278	185	87	)	)	PUNCT
admet-2278	185	88	(	(	PUNCT
admet-2278	185	89	tables	table	NOUN
admet-2278	185	90	1	1	NUM
admet-2278	185	91	and	and	CCONJ
admet-2278	185	92	2	2	NUM
admet-2278	185	93	)	)	PUNCT
admet-2278	185	94	were	be	AUX
admet-2278	185	95	allocateed	allocate	VERB
admet-2278	185	96	this	this	DET
admet-2278	185	97	regression	regression	NOUN
admet-2278	185	98	model	model	NOUN
admet-2278	185	99	as	as	ADP
admet-2278	185	100	more	more	ADV
admet-2278	185	101	reliable	reliable	ADJ
admet-2278	185	102	for	for	ADP
admet-2278	185	103	predicting	predict	VERB
admet-2278	185	104	the	the	DET
admet-2278	185	105	retention	retention	NOUN
admet-2278	185	106	behaviour	behaviour	NOUN
admet-2278	185	107	of	of	ADP
admet-2278	185	108	related	relate	VERB
admet-2278	185	109	compounds	compound	NOUN
admet-2278	185	110	at	at	ADP
admet-2278	185	111	ph	ph	PROPN
admet-2278	185	112	7.4	7.4	NUM
admet-2278	185	113	.	.	PUNCT
admet-2278	186	1	at	at	ADP
admet-2278	186	2	ph	ph	PROPN
admet-2278	186	3	9.1	9.1	NUM
admet-2278	186	4	,	,	PUNCT
admet-2278	186	5	the	the	DET
admet-2278	186	6	test	test	NOUN
admet-2278	186	7	set	set	NOUN
admet-2278	186	8	consisted	consist	VERB
admet-2278	186	9	of	of	ADP
admet-2278	186	10	7	7	NUM
admet-2278	186	11	compounds	compound	NOUN
admet-2278	186	12	(	(	PUNCT
admet-2278	186	13	clozapine	clozapine	NOUN
admet-2278	186	14	,	,	PUNCT
admet-2278	186	15	efaroxan	efaroxan	NOUN
admet-2278	186	16	,	,	PUNCT
admet-2278	186	17	ephedrine	ephedrine	NOUN
admet-2278	186	18	,	,	PUNCT
admet-2278	186	19	maprotiline	maprotiline	PROPN
admet-2278	186	20	,	,	PUNCT
admet-2278	186	21	tizanidine	tizanidine	NOUN
admet-2278	186	22	,	,	PUNCT
admet-2278	186	23	triamterene	triamterene	NOUN
admet-2278	186	24	,	,	PUNCT
admet-2278	186	25	xylometazoline	xylometazoline	PROPN
admet-2278	186	26	)	)	PUNCT
admet-2278	186	27	and	and	CCONJ
admet-2278	186	28	a	a	DET
admet-2278	186	29	training	training	NOUN
admet-2278	186	30	set	set	NOUN
admet-2278	186	31	of	of	ADP
admet-2278	186	32	21	21	NUM
admet-2278	186	33	compounds	compound	NOUN
admet-2278	186	34	.	.	PUNCT
admet-2278	187	1	the	the	DET
admet-2278	187	2	most	most	ADV
admet-2278	187	3	significant	significant	ADJ
admet-2278	187	4	mlr	mlr	NOUN
admet-2278	187	5	model	model	NOUN
admet-2278	187	6	describing	describe	VERB
admet-2278	187	7	the	the	DET
admet-2278	187	8	retention	retention	NOUN
admet-2278	187	9	behaviour	behaviour	NOUN
admet-2278	187	10	at	at	ADP
admet-2278	187	11	ph	ph	PROPN
admet-2278	187	12	9.1	9.1	NUM
admet-2278	187	13	consists	consist	NOUN
admet-2278	187	14	of	of	ADP
admet-2278	187	15	3	3	NUM
admet-2278	187	16	molecular	molecular	ADJ
admet-2278	187	17	descriptors	descriptor	NOUN
admet-2278	187	18	,	,	PUNCT
admet-2278	187	19	equation	equation	NOUN
admet-2278	187	20	(	(	PUNCT
admet-2278	187	21	15	15	NUM
admet-2278	187	22	):	):	PUNCT
admet-2278	187	23	mlr	mlr	NOUN
admet-2278	187	24	-	-	PUNCT
admet-2278	187	25	qsrr	qsrr	PROPN
admet-2278	187	26	(	(	PUNCT
admet-2278	187	27	log	log	PROPN
admet-2278	187	28	kw9.1)=	kw9.1)=	X
admet-2278	187	29	-0.53081	-0.53081	PUNCT
admet-2278	188	1	+	+	ADP
admet-2278	188	2	0.09255×nbm	0.09255×nbm	PROPN
admet-2278	188	3	+	+	ADJ
admet-2278	188	4	0.70852×spmin6_bh(p	0.70852×spmin6_bh(p	NOUN
admet-2278	188	5	)	)	PUNCT
admet-2278	188	6	+	+	CCONJ
admet-2278	188	7	0.58125×log	0.58125×log	PROPN
admet-2278	188	8	d	d	X
admet-2278	188	9	9.1	9.1	NUM
admet-2278	188	10	(	(	PUNCT
admet-2278	188	11	15	15	NUM
admet-2278	188	12	)	)	PUNCT
admet-2278	188	13	the	the	DET
admet-2278	188	14	statistically	statistically	ADV
admet-2278	188	15	best	good	ADJ
admet-2278	188	16	pls	pls	NOUN
admet-2278	188	17	model	model	NOUN
admet-2278	188	18	was	be	AUX
admet-2278	188	19	formed	form	VERB
admet-2278	188	20	with	with	ADP
admet-2278	188	21	5	5	NUM
admet-2278	188	22	descriptors	descriptor	NOUN
admet-2278	188	23	,	,	PUNCT
admet-2278	188	24	equation	equation	NOUN
admet-2278	188	25	(	(	PUNCT
admet-2278	188	26	16	16	NUM
admet-2278	188	27	):	):	PUNCT
admet-2278	188	28	pls	pls	NOUN
admet-2278	188	29	-	-	PUNCT
admet-2278	188	30	qsrr	qsrr	NOUN
admet-2278	188	31	(	(	PUNCT
admet-2278	188	32	log	log	NOUN
admet-2278	188	33	kw9.1	kw9.1	PRON
admet-2278	188	34	)	)	PUNCT
admet-2278	188	35	=	=	PUNCT
admet-2278	189	1	ƒ(ve2_dt	ƒ(ve2_dt	PROPN
admet-2278	189	2	;	;	PUNCT
admet-2278	189	3	h_d	h_d	SYM
admet-2278	189	4	/	/	SYM
admet-2278	189	5	dt	dt	NOUN
admet-2278	189	6	;	;	PUNCT
admet-2278	189	7	f04[c	f04[c	NOUN
admet-2278	189	8	-	-	PUNCT
admet-2278	189	9	c	c	NOUN
admet-2278	189	10	]	]	X
admet-2278	189	11	;	;	PUNCT
admet-2278	189	12	alogp	alogp	NOUN
admet-2278	189	13	;	;	PUNCT
admet-2278	189	14	log	log	NOUN
admet-2278	189	15	d	d	NOUN
admet-2278	189	16	9.1	9.1	NUM
admet-2278	189	17	)	)	PUNCT
admet-2278	189	18	(	(	PUNCT
admet-2278	189	19	16	16	NUM
admet-2278	189	20	)	)	PUNCT
admet-2278	189	21	the	the	DET
admet-2278	189	22	analysis	analysis	NOUN
admet-2278	189	23	of	of	ADP
admet-2278	189	24	the	the	DET
admet-2278	189	25	calculated	calculate	VERB
admet-2278	189	26	statistical	statistical	ADJ
admet-2278	189	27	parameters	parameter	NOUN
admet-2278	189	28	(	(	PUNCT
admet-2278	189	29	tables	table	NOUN
admet-2278	189	30	1	1	NUM
admet-2278	189	31	and	and	CCONJ
admet-2278	189	32	2	2	NUM
admet-2278	189	33	)	)	PUNCT
admet-2278	189	34	obtained	obtain	VERB
admet-2278	189	35	for	for	ADP
admet-2278	189	36	the	the	DET
admet-2278	189	37	created	create	VERB
admet-2278	189	38	models	model	NOUN
admet-2278	189	39	at	at	ADP
admet-2278	189	40	ph	ph	PROPN
admet-2278	189	41	9.1	9.1	NUM
admet-2278	189	42	,	,	PUNCT
admet-2278	189	43	suggests	suggest	VERB
admet-2278	189	44	that	that	SCONJ
admet-2278	189	45	the	the	DET
admet-2278	189	46	mlr	mlr	NOUN
admet-2278	189	47	-	-	PUNCT
admet-2278	189	48	qsrr	qsrr	PROPN
admet-2278	189	49	(	(	PUNCT
admet-2278	189	50	log	log	NOUN
admet-2278	189	51	kw9.1	kw9.1	NOUN
admet-2278	189	52	)	)	PUNCT
admet-2278	189	53	model	model	NOUN
admet-2278	189	54	can	can	AUX
admet-2278	189	55	be	be	AUX
admet-2278	189	56	selected	select	VERB
admet-2278	189	57	as	as	ADP
admet-2278	189	58	an	an	DET
admet-2278	189	59	optimal	optimal	ADJ
admet-2278	189	60	and	and	CCONJ
admet-2278	189	61	reliable	reliable	ADJ
admet-2278	189	62	model	model	NOUN
admet-2278	189	63	for	for	ADP
admet-2278	189	64	predicting	predict	VERB
admet-2278	189	65	the	the	DET
admet-2278	189	66	retention	retention	NOUN
admet-2278	189	67	behaviour	behaviour	NOUN
admet-2278	189	68	of	of	ADP
admet-2278	189	69	α	α	NOUN
admet-2278	189	70	-	-	ADJ
admet-2278	189	71	adrenergic	adrenergic	ADJ
admet-2278	189	72	and	and	CCONJ
admet-2278	189	73	imidazoline	imidazoline	NOUN
admet-2278	189	74	receptor	receptor	NOUN
admet-2278	189	75	ligands	ligand	NOUN
admet-2278	189	76	in	in	ADP
admet-2278	189	77	an	an	DET
admet-2278	189	78	alkaline	alkaline	NOUN
admet-2278	189	79	environment	environment	NOUN
admet-2278	189	80	.	.	PUNCT
admet-2278	190	1	in	in	ADP
admet-2278	190	2	addition	addition	NOUN
admet-2278	190	3	,	,	PUNCT
admet-2278	190	4	it	it	PRON
admet-2278	190	5	should	should	AUX
admet-2278	190	6	be	be	AUX
admet-2278	190	7	emphasised	emphasise	VERB
admet-2278	190	8	that	that	SCONJ
admet-2278	190	9	all	all	PRON
admet-2278	190	10	created	create	VERB
admet-2278	190	11	mlr	mlr	NOUN
admet-2278	190	12	-	-	PUNCT
admet-2278	190	13	qsrr	qsrr	PROPN
admet-2278	190	14	and	and	CCONJ
admet-2278	190	15	pls	pls	NOUN
admet-2278	190	16	-	-	PUNCT
admet-2278	190	17	qsrr	qsrr	NOUN
admet-2278	190	18	models	model	NOUN
admet-2278	190	19	meet	meet	VERB
admet-2278	190	20	the	the	DET
admet-2278	190	21	external	external	ADJ
admet-2278	190	22	validation	validation	NOUN
admet-2278	190	23	criteria	criterion	NOUN
admet-2278	190	24	proposed	propose	VERB
admet-2278	190	25	by	by	ADP
admet-2278	190	26	golbraikh	golbraikh	NOUN
admet-2278	190	27	,	,	PUNCT
admet-2278	190	28	tropsha	tropsha	PROPN
admet-2278	190	29	and	and	CCONJ
admet-2278	190	30	roy	roy	PROPN
admet-2278	190	31	(	(	PUNCT
admet-2278	190	32	table	table	NOUN
admet-2278	190	33	2	2	NUM
admet-2278	190	34	)	)	PUNCT
admet-2278	191	1	[	[	X
admet-2278	191	2	22	22	NUM
admet-2278	191	3	-	-	SYM
admet-2278	191	4	24	24	NUM
admet-2278	191	5	]	]	PUNCT
admet-2278	191	6	.	.	PUNCT
admet-2278	192	1	plots	plot	NOUN
admet-2278	192	2	of	of	ADP
admet-2278	192	3	observed	observe	VERB
admet-2278	192	4	vs.	vs.	ADP
admet-2278	192	5	predicted	predict	VERB
admet-2278	192	6	values	value	NOUN
admet-2278	192	7	for	for	ADP
admet-2278	192	8	compounds	compound	NOUN
admet-2278	192	9	in	in	ADP
admet-2278	192	10	the	the	DET
admet-2278	192	11	training	training	NOUN
admet-2278	192	12	and	and	CCONJ
admet-2278	192	13	test	test	NOUN
admet-2278	192	14	sets	set	NOUN
admet-2278	192	15	in	in	ADP
admet-2278	192	16	selected	select	VERB
admet-2278	192	17	qsrr	qsrr	NOUN
admet-2278	192	18	models	model	NOUN
admet-2278	192	19	are	be	AUX
admet-2278	192	20	depicted	depict	VERB
admet-2278	192	21	in	in	ADP
admet-2278	192	22	figure	figure	NOUN
admet-2278	192	23	1	1	NUM
admet-2278	192	24	.	.	PUNCT
admet-2278	193	1	the	the	DET
admet-2278	193	2	values	value	NOUN
admet-2278	193	3	of	of	ADP
admet-2278	193	4	molecular	molecular	ADJ
admet-2278	193	5	descriptors	descriptor	NOUN
admet-2278	193	6	in	in	ADP
admet-2278	193	7	selected	select	VERB
admet-2278	193	8	qsrr	qsrr	NOUN
admet-2278	193	9	models	model	NOUN
admet-2278	193	10	are	be	AUX
admet-2278	193	11	listed	list	VERB
admet-2278	193	12	in	in	ADP
admet-2278	193	13	table	table	NOUN
admet-2278	193	14	s3	s3	PROPN
admet-2278	193	15	.	.	PUNCT
admet-2278	194	1	figure	figure	NOUN
admet-2278	194	2	1	1	NUM
admet-2278	194	3	.	.	PUNCT
admet-2278	195	1	observed	observe	VERB
admet-2278	195	2	vs.	vs.	ADP
admet-2278	195	3	predicted	predict	VERB
admet-2278	195	4	values	value	NOUN
admet-2278	195	5	in	in	ADP
admet-2278	195	6	selected	select	VERB
admet-2278	195	7	qsrr	qsrr	NOUN
admet-2278	195	8	models	model	NOUN
admet-2278	195	9	:	:	PUNCT
admet-2278	195	10	a	a	DET
admet-2278	195	11	pls	pls	NOUN
admet-2278	195	12	-	-	PUNCT
admet-2278	195	13	qsrr	qsrr	NOUN
admet-2278	195	14	(	(	PUNCT
admet-2278	195	15	log	log	NOUN
admet-2278	195	16	kw4.4	kw4.4	VERB
admet-2278	195	17	)	)	PUNCT
admet-2278	195	18	;	;	PUNCT
admet-2278	195	19	b	b	X
admet-2278	195	20	pls	pls	ADV
admet-2278	195	21	-	-	PUNCT
admet-2278	195	22	qsrr	qsrr	NOUN
admet-2278	195	23	(	(	PUNCT
admet-2278	195	24	log	log	NOUN
admet-2278	195	25	kw7.4	kw7.4	NUM
admet-2278	195	26	)	)	PUNCT
admet-2278	195	27	;	;	PUNCT
admet-2278	195	28	c	c	PROPN
admet-2278	195	29	mlr	mlr	PROPN
admet-2278	195	30	-	-	PUNCT
admet-2278	195	31	qsrr	qsrr	PROPN
admet-2278	195	32	(	(	PUNCT
admet-2278	195	33	log	log	NOUN
admet-2278	195	34	kw9.1	kw9.1	NOUN
admet-2278	195	35	)	)	PUNCT
admet-2278	195	36	admet	admet	PROPN
admet-2278	195	37	&	&	CCONJ
admet-2278	195	38	dmpk	dmpk	PROPN
admet-2278	195	39	12(5	12(5	NUM
admet-2278	195	40	)	)	PUNCT
admet-2278	195	41	(	(	PUNCT
admet-2278	195	42	2024	2024	NUM
admet-2278	195	43	)	)	PUNCT
admet-2278	195	44	737	737	NUM
admet-2278	195	45	-	-	SYM
admet-2278	195	46	757	757	NUM
admet-2278	195	47	imidazoline	imidazoline	NOUN
admet-2278	195	48	and	and	CCONJ
admet-2278	195	49	alpha	alpha	NOUN
admet-2278	195	50	adrenergic	adrenergic	NOUN
admet-2278	195	51	receptors	receptor	NOUN
admet-2278	195	52	ligands	ligand	NOUN
admet-2278	195	53	doi	doi	NOUN
admet-2278	195	54	:	:	PUNCT
admet-2278	195	55	https://doi.org/10.5599/admet.2278	https://doi.org/10.5599/admet.2278	PROPN
admet-2278	195	56	747	747	NUM
admet-2278	195	57	quantitative	quantitative	ADJ
admet-2278	195	58	structure	structure	NOUN
admet-2278	195	59	-	-	PUNCT
admet-2278	195	60	mobility	mobility	NOUN
admet-2278	195	61	relationship	relationship	NOUN
admet-2278	195	62	modelling	model	VERB
admet-2278	195	63	determination	determination	NOUN
admet-2278	195	64	of	of	ADP
admet-2278	195	65	effective	effective	ADJ
admet-2278	195	66	electrophoretic	electrophoretic	ADJ
admet-2278	195	67	mobility	mobility	NOUN
admet-2278	195	68	the	the	DET
admet-2278	195	69	effective	effective	ADJ
admet-2278	195	70	electrophoretic	electrophoretic	ADJ
admet-2278	195	71	mobility	mobility	NOUN
admet-2278	195	72	of	of	ADP
admet-2278	195	73	the	the	DET
admet-2278	195	74	investigated	investigate	VERB
admet-2278	195	75	compounds	compound	NOUN
admet-2278	195	76	was	be	AUX
admet-2278	195	77	determined	determine	VERB
admet-2278	195	78	in	in	ADP
admet-2278	195	79	the	the	DET
admet-2278	195	80	presence	presence	NOUN
admet-2278	195	81	of	of	ADP
admet-2278	195	82	acetone	acetone	NOUN
admet-2278	195	83	as	as	ADP
admet-2278	195	84	a	a	DET
admet-2278	195	85	neutral	neutral	ADJ
admet-2278	195	86	marker	marker	NOUN
admet-2278	195	87	,	,	PUNCT
admet-2278	195	88	and	and	CCONJ
admet-2278	195	89	the	the	DET
admet-2278	195	90	results	result	NOUN
admet-2278	195	91	obtained	obtain	VERB
admet-2278	195	92	under	under	ADP
admet-2278	195	93	the	the	DET
admet-2278	195	94	examined	examine	VERB
admet-2278	195	95	conditions	condition	NOUN
admet-2278	195	96	(	(	PUNCT
admet-2278	195	97	ph	ph	NOUN
admet-2278	195	98	4.4	4.4	NUM
admet-2278	195	99	,	,	PUNCT
admet-2278	195	100	7.4	7.4	NUM
admet-2278	195	101	and	and	CCONJ
admet-2278	195	102	9.1	9.1	NUM
admet-2278	195	103	)	)	PUNCT
admet-2278	195	104	are	be	AUX
admet-2278	195	105	presented	present	VERB
admet-2278	195	106	in	in	ADP
admet-2278	195	107	table	table	NOUN
admet-2278	195	108	s4	s4	PROPN
admet-2278	195	109	(	(	PUNCT
admet-2278	195	110	supplementary	supplementary	ADJ
admet-2278	195	111	material	material	NOUN
admet-2278	195	112	)	)	PUNCT
admet-2278	195	113	.	.	PUNCT
admet-2278	196	1	at	at	ADP
admet-2278	196	2	ph	ph	PROPN
admet-2278	196	3	4.4	4.4	NUM
admet-2278	196	4	,	,	PUNCT
admet-2278	196	5	27	27	NUM
admet-2278	196	6	compounds	compound	NOUN
admet-2278	196	7	that	that	PRON
admet-2278	196	8	move	move	VERB
admet-2278	196	9	faster	fast	ADV
admet-2278	196	10	than	than	SCONJ
admet-2278	196	11	the	the	DET
admet-2278	196	12	neutral	neutral	ADJ
admet-2278	196	13	marker	marker	NOUN
admet-2278	196	14	are	be	AUX
admet-2278	196	15	in	in	ADP
admet-2278	196	16	the	the	DET
admet-2278	196	17	form	form	NOUN
admet-2278	196	18	of	of	ADP
admet-2278	196	19	cations	cation	NOUN
admet-2278	196	20	and	and	CCONJ
admet-2278	196	21	reach	reach	VERB
admet-2278	196	22	their	their	PRON
admet-2278	196	23	maximum	maximum	ADJ
admet-2278	196	24	effective	effective	ADJ
admet-2278	196	25	mobility	mobility	NOUN
admet-2278	196	26	,	,	PUNCT
admet-2278	196	27	while	while	SCONJ
admet-2278	196	28	the	the	DET
admet-2278	196	29	effective	effective	ADJ
admet-2278	196	30	mobility	mobility	NOUN
admet-2278	196	31	of	of	ADP
admet-2278	196	32	clopamide	clopamide	NOUN
admet-2278	196	33	and	and	CCONJ
admet-2278	196	34	indapamide	indapamide	ADV
admet-2278	196	35	,	,	PUNCT
admet-2278	196	36	which	which	PRON
admet-2278	196	37	are	be	AUX
admet-2278	196	38	in	in	ADP
admet-2278	196	39	neutral	neutral	ADJ
admet-2278	196	40	form	form	NOUN
admet-2278	196	41	under	under	ADP
admet-2278	196	42	the	the	DET
admet-2278	196	43	studied	study	VERB
admet-2278	196	44	conditions	condition	NOUN
admet-2278	196	45	,	,	PUNCT
admet-2278	196	46	is	be	AUX
admet-2278	196	47	zero	zero	NUM
admet-2278	196	48	.	.	PUNCT
admet-2278	197	1	the	the	DET
admet-2278	197	2	range	range	NOUN
admet-2278	197	3	of	of	ADP
admet-2278	197	4	the	the	DET
admet-2278	197	5	obtained	obtain	VERB
admet-2278	197	6	µeff4.4	µeff4.4	PUNCT
admet-2278	197	7	values	value	NOUN
admet-2278	197	8	is	be	AUX
admet-2278	197	9	between	between	ADP
admet-2278	197	10	0	0	NUM
admet-2278	197	11	(	(	PUNCT
admet-2278	197	12	indapamide	indapamide	ADJ
admet-2278	197	13	,	,	PUNCT
admet-2278	197	14	clopamide	clopamide	PROPN
admet-2278	197	15	)	)	PUNCT
admet-2278	197	16	and	and	CCONJ
admet-2278	197	17	28.19×10	28.19×10	NUM
admet-2278	197	18	-	-	SYM
admet-2278	197	19	5	5	NUM
admet-2278	197	20	cm2	cm2	PROPN
admet-2278	197	21	/	/	SYM
admet-2278	197	22	v	v	NOUN
admet-2278	197	23	s	s	X
admet-2278	197	24	(	(	PUNCT
admet-2278	197	25	harmane	harmane	NOUN
admet-2278	197	26	)	)	PUNCT
admet-2278	197	27	.	.	PUNCT
admet-2278	198	1	at	at	ADP
admet-2278	198	2	a	a	DET
admet-2278	198	3	physiological	physiological	ADJ
admet-2278	198	4	ph	ph	NOUN
admet-2278	198	5	of	of	ADP
admet-2278	198	6	7.4	7.4	NUM
admet-2278	198	7	,	,	PUNCT
admet-2278	198	8	compounds	compound	NOUN
admet-2278	198	9	with	with	ADP
admet-2278	198	10	pka	pka	PROPN
admet-2278	198	11	values	value	NOUN
admet-2278	198	12	around	around	ADP
admet-2278	198	13	7.4	7.4	NUM
admet-2278	198	14	have	have	AUX
admet-2278	198	15	reached	reach	VERB
admet-2278	198	16	their	their	PRON
admet-2278	198	17	intermediate	intermediate	ADJ
admet-2278	198	18	mobility	mobility	NOUN
admet-2278	198	19	,	,	PUNCT
admet-2278	198	20	indapamide	indapamide	ADJ
admet-2278	198	21	and	and	CCONJ
admet-2278	198	22	clopamide	clopamide	NOUN
admet-2278	198	23	co	co	NOUN
admet-2278	198	24	-	-	NOUN
admet-2278	198	25	migrate	migrate	VERB
admet-2278	198	26	with	with	ADP
admet-2278	198	27	the	the	DET
admet-2278	198	28	eof	eof	NOUN
admet-2278	198	29	marker	marker	NOUN
admet-2278	198	30	(	(	PUNCT
admet-2278	198	31	μeff	μeff	NOUN
admet-2278	198	32	=	=	SYM
admet-2278	198	33	0	0	NUM
admet-2278	198	34	)	)	PUNCT
admet-2278	198	35	,	,	PUNCT
admet-2278	198	36	and	and	CCONJ
admet-2278	198	37	compounds	compound	VERB
admet-2278	198	38	with	with	ADP
admet-2278	198	39	a	a	DET
admet-2278	198	40	pka	pka	NOUN
admet-2278	198	41	value	value	NOUN
admet-2278	198	42	above	above	ADP
admet-2278	198	43	10	10	NUM
admet-2278	198	44	(	(	PUNCT
admet-2278	198	45	table	table	NOUN
admet-2278	198	46	s1	s1	NOUN
admet-2278	198	47	,	,	PUNCT
admet-2278	198	48	supplementary	supplementary	ADJ
admet-2278	198	49	material	material	NOUN
admet-2278	198	50	)	)	PUNCT
admet-2278	198	51	,	,	PUNCT
admet-2278	198	52	a	a	DET
admet-2278	198	53	high	high	ADJ
admet-2278	198	54	percentage	percentage	NOUN
admet-2278	198	55	of	of	ADP
admet-2278	198	56	which	which	PRON
admet-2278	198	57	are	be	AUX
admet-2278	198	58	in	in	ADP
admet-2278	198	59	the	the	DET
admet-2278	198	60	form	form	NOUN
admet-2278	198	61	of	of	ADP
admet-2278	198	62	cations	cation	NOUN
admet-2278	198	63	under	under	ADP
admet-2278	198	64	the	the	DET
admet-2278	198	65	given	give	VERB
admet-2278	198	66	conditions	condition	NOUN
admet-2278	198	67	,	,	PUNCT
admet-2278	198	68	have	have	AUX
admet-2278	198	69	maintained	maintain	VERB
admet-2278	198	70	an	an	DET
admet-2278	198	71	effective	effective	ADJ
admet-2278	198	72	mobility	mobility	NOUN
admet-2278	198	73	similar	similar	ADJ
admet-2278	198	74	to	to	ADP
admet-2278	198	75	that	that	PRON
admet-2278	198	76	in	in	ADP
admet-2278	198	77	an	an	DET
admet-2278	198	78	acidic	acidic	ADJ
admet-2278	198	79	environment	environment	NOUN
admet-2278	198	80	.	.	PUNCT
admet-2278	199	1	the	the	DET
admet-2278	199	2	resulting	result	VERB
admet-2278	199	3	range	range	NOUN
admet-2278	199	4	of	of	ADP
admet-2278	199	5	effective	effective	ADJ
admet-2278	199	6	mobility	mobility	NOUN
admet-2278	199	7	is	be	AUX
admet-2278	199	8	between	between	ADP
admet-2278	199	9	0	0	NUM
admet-2278	199	10	and	and	CCONJ
admet-2278	199	11	24.18×10	24.18×10	NUM
admet-2278	199	12	-	-	SYM
admet-2278	199	13	5	5	NUM
admet-2278	199	14	cm2	cm2	PROPN
admet-2278	199	15	/	/	SYM
admet-2278	199	16	v	v	NOUN
admet-2278	199	17	s	s	X
admet-2278	199	18	(	(	PUNCT
admet-2278	199	19	naphazoline	naphazoline	PROPN
admet-2278	199	20	)	)	PUNCT
admet-2278	199	21	.	.	PUNCT
admet-2278	200	1	in	in	ADP
admet-2278	200	2	an	an	DET
admet-2278	200	3	alkaline	alkaline	NOUN
admet-2278	200	4	environment	environment	NOUN
admet-2278	200	5	at	at	ADP
admet-2278	200	6	ph	ph	PROPN
admet-2278	200	7	9.1	9.1	NUM
admet-2278	200	8	,	,	PUNCT
admet-2278	200	9	negatively	negatively	ADV
admet-2278	200	10	charged	charge	VERB
admet-2278	200	11	ions	ion	NOUN
admet-2278	200	12	of	of	ADP
admet-2278	200	13	clopamide	clopamide	NOUN
admet-2278	200	14	and	and	CCONJ
admet-2278	200	15	indapamide	indapamide	NOUN
admet-2278	200	16	migrate	migrate	NOUN
admet-2278	200	17	to	to	ADP
admet-2278	200	18	the	the	DET
admet-2278	200	19	cathode	cathode	NOUN
admet-2278	200	20	more	more	ADV
admet-2278	200	21	slowly	slowly	ADV
admet-2278	200	22	than	than	ADP
admet-2278	200	23	eof	eof	NOUN
admet-2278	200	24	markers	marker	NOUN
admet-2278	200	25	and	and	CCONJ
admet-2278	200	26	exhibit	exhibit	VERB
admet-2278	200	27	negative	negative	ADJ
admet-2278	200	28	values	value	NOUN
admet-2278	200	29	of	of	ADP
admet-2278	200	30	effective	effective	ADJ
admet-2278	200	31	mobility	mobility	NOUN
admet-2278	200	32	.	.	PUNCT
admet-2278	201	1	uncharged	uncharged	ADJ
admet-2278	201	2	compounds	compound	NOUN
admet-2278	201	3	migrate	migrate	VERB
admet-2278	201	4	together	together	ADV
admet-2278	201	5	with	with	ADP
admet-2278	201	6	the	the	DET
admet-2278	201	7	eof	eof	NOUN
admet-2278	201	8	marker	marker	NOUN
admet-2278	201	9	and	and	CCONJ
admet-2278	201	10	their	their	PRON
admet-2278	201	11	mobility	mobility	NOUN
admet-2278	201	12	is	be	AUX
admet-2278	201	13	zero	zero	NUM
admet-2278	201	14	,	,	PUNCT
admet-2278	201	15	while	while	SCONJ
admet-2278	201	16	the	the	DET
admet-2278	201	17	derivatives	derivative	NOUN
admet-2278	201	18	of	of	ADP
admet-2278	201	19	2	2	NUM
admet-2278	201	20	-	-	PUNCT
admet-2278	201	21	methylimidazoline	methylimidazoline	NOUN
admet-2278	201	22	with	with	ADP
admet-2278	201	23	pka	pka	PROPN
admet-2278	201	24	values	value	NOUN
admet-2278	201	25	above	above	ADP
admet-2278	201	26	10	10	NUM
admet-2278	201	27	maintain	maintain	VERB
admet-2278	201	28	a	a	DET
admet-2278	201	29	high	high	ADJ
admet-2278	201	30	degree	degree	NOUN
admet-2278	201	31	of	of	ADP
admet-2278	201	32	mobility	mobility	NOUN
admet-2278	201	33	(	(	PUNCT
admet-2278	201	34	μeff	μeff	NOUN
admet-2278	201	35	=	=	SYM
admet-2278	201	36	25.05×10	25.05×10	NUM
admet-2278	201	37	-	-	SYM
admet-2278	201	38	5	5	NUM
admet-2278	201	39	cm2	cm2	PROPN
admet-2278	201	40	/	/	SYM
admet-2278	201	41	v	v	PROPN
admet-2278	201	42	s	s	NOUN
admet-2278	201	43	,	,	PUNCT
admet-2278	201	44	tetrahydrozoline	tetrahydrozoline	NOUN
admet-2278	201	45	)	)	PUNCT
admet-2278	201	46	(	(	PUNCT
admet-2278	201	47	table	table	NOUN
admet-2278	201	48	s1	s1	NOUN
admet-2278	201	49	and	and	CCONJ
admet-2278	201	50	table	table	NOUN
admet-2278	201	51	s4	s4	PROPN
admet-2278	201	52	)	)	PUNCT
admet-2278	201	53	.	.	PUNCT
admet-2278	202	1	quantitative	quantitative	ADJ
admet-2278	202	2	structure	structure	NOUN
admet-2278	202	3	-	-	PUNCT
admet-2278	202	4	mobility	mobility	NOUN
admet-2278	202	5	relationship	relationship	NOUN
admet-2278	202	6	models	model	NOUN
admet-2278	202	7	as	as	ADP
admet-2278	202	8	a	a	DET
admet-2278	202	9	result	result	NOUN
admet-2278	202	10	of	of	ADP
admet-2278	202	11	the	the	DET
admet-2278	202	12	qsmr	qsmr	NOUN
admet-2278	202	13	studies	study	NOUN
admet-2278	202	14	applied	apply	VERB
admet-2278	202	15	to	to	ADP
admet-2278	202	16	the	the	DET
admet-2278	202	17	μeff	μeff	PROPN
admet-2278	202	18	data	datum	NOUN
admet-2278	202	19	obtained	obtain	VERB
admet-2278	202	20	at	at	ADP
admet-2278	202	21	three	three	NUM
admet-2278	202	22	ph	ph	ADJ
admet-2278	202	23	values	value	NOUN
admet-2278	202	24	(	(	PUNCT
admet-2278	202	25	μeff4.4	μeff4.4	NUM
admet-2278	202	26	,	,	PUNCT
admet-2278	202	27	μeff7.4	μeff7.4	NUM
admet-2278	202	28	and	and	CCONJ
admet-2278	202	29	μeff9.1	μeff9.1	NUM
admet-2278	202	30	)	)	PUNCT
admet-2278	202	31	,	,	PUNCT
admet-2278	202	32	six	six	NUM
admet-2278	202	33	models	model	NOUN
admet-2278	202	34	were	be	AUX
admet-2278	202	35	created	create	VERB
admet-2278	202	36	:	:	PUNCT
admet-2278	202	37	mlr	mlr	NOUN
admet-2278	202	38	-	-	PUNCT
admet-2278	202	39	qsmr	qsmr	NOUN
admet-2278	202	40	(	(	PUNCT
admet-2278	202	41	μeff4.4	μeff4.4	NUM
admet-2278	202	42	)	)	PUNCT
admet-2278	202	43	,	,	PUNCT
admet-2278	202	44	pls	pls	NOUN
admet-2278	202	45	-	-	PUNCT
admet-2278	202	46	qsmr	qsmr	NOUN
admet-2278	202	47	(	(	PUNCT
admet-2278	202	48	μeff4.4	μeff4.4	NUM
admet-2278	202	49	)	)	PUNCT
admet-2278	202	50	,	,	PUNCT
admet-2278	202	51	mlr	mlr	NOUN
admet-2278	202	52	-	-	PUNCT
admet-2278	202	53	qsmr	qsmr	NOUN
admet-2278	202	54	(	(	PUNCT
admet-2278	202	55	μeff7.4	μeff7.4	NUM
admet-2278	202	56	)	)	PUNCT
admet-2278	202	57	,	,	PUNCT
admet-2278	202	58	pls	pls	NOUN
admet-2278	202	59	-	-	PUNCT
admet-2278	202	60	qsmr	qsmr	NOUN
admet-2278	202	61	(	(	PUNCT
admet-2278	202	62	μeff7.4	μeff7.4	NUM
admet-2278	202	63	)	)	PUNCT
admet-2278	202	64	,	,	PUNCT
admet-2278	202	65	mlr	mlr	NOUN
admet-2278	202	66	-	-	PUNCT
admet-2278	202	67	qsmr	qsmr	NOUN
admet-2278	202	68	(	(	PUNCT
admet-2278	202	69	μeff9.1	μeff9.1	NUM
admet-2278	202	70	)	)	PUNCT
admet-2278	202	71	,	,	PUNCT
admet-2278	202	72	and	and	CCONJ
admet-2278	202	73	pls	pls	NOUN
admet-2278	202	74	-	-	PUNCT
admet-2278	202	75	qsmr	qsmr	NOUN
admet-2278	202	76	(	(	PUNCT
admet-2278	202	77	μeff9.1	μeff9.1	NUM
admet-2278	202	78	)	)	PUNCT
admet-2278	202	79	.	.	PUNCT
admet-2278	203	1	the	the	DET
admet-2278	203	2	qsmr	qsmr	NOUN
admet-2278	203	3	models	model	NOUN
admet-2278	203	4	,	,	PUNCT
admet-2278	203	5	which	which	PRON
admet-2278	203	6	describe	describe	VERB
admet-2278	203	7	the	the	DET
admet-2278	203	8	mobility	mobility	NOUN
admet-2278	203	9	of	of	ADP
admet-2278	203	10	the	the	DET
admet-2278	203	11	investigated	investigate	VERB
admet-2278	203	12	compounds	compound	NOUN
admet-2278	203	13	at	at	ADP
admet-2278	203	14	a	a	DET
admet-2278	203	15	ph	ph	NOUN
admet-2278	203	16	of	of	ADP
admet-2278	203	17	4.4	4.4	NUM
admet-2278	203	18	,	,	PUNCT
admet-2278	203	19	were	be	AUX
admet-2278	203	20	created	create	VERB
admet-2278	203	21	with	with	ADP
admet-2278	203	22	20	20	NUM
admet-2278	203	23	compounds	compound	NOUN
admet-2278	203	24	in	in	ADP
admet-2278	203	25	the	the	DET
admet-2278	203	26	training	training	NOUN
admet-2278	203	27	set	set	NOUN
admet-2278	203	28	.	.	PUNCT
admet-2278	204	1	three	three	NUM
admet-2278	204	2	compounds	compound	NOUN
admet-2278	204	3	,	,	PUNCT
admet-2278	204	4	one	one	NUM
admet-2278	204	5	with	with	ADP
admet-2278	204	6	the	the	DET
admet-2278	204	7	highest	high	ADJ
admet-2278	204	8	electrophoretic	electrophoretic	ADJ
admet-2278	204	9	mobility	mobility	NOUN
admet-2278	204	10	(	(	PUNCT
admet-2278	204	11	olanzapine	olanzapine	NOUN
admet-2278	204	12	µeff4.4	µeff4.4	PUNCT
admet-2278	204	13	=	=	SYM
admet-2278	204	14	33.632	33.632	NUM
admet-2278	204	15	±	±	NUM
admet-2278	204	16	0.036	0.036	NUM
admet-2278	204	17	10	10	NUM
admet-2278	204	18	-	-	SYM
admet-2278	204	19	5	5	NUM
admet-2278	204	20	cm2	cm2	PROPN
admet-2278	204	21	/	/	SYM
admet-2278	204	22	v	v	NOUN
admet-2278	204	23	s	s	NOUN
admet-2278	204	24	)	)	PUNCT
admet-2278	204	25	and	and	CCONJ
admet-2278	204	26	two	two	NUM
admet-2278	204	27	with	with	ADP
admet-2278	204	28	the	the	DET
admet-2278	204	29	lowest	low	ADJ
admet-2278	204	30	electrophoretic	electrophoretic	ADJ
admet-2278	204	31	mobility	mobility	NOUN
admet-2278	204	32	(	(	PUNCT
admet-2278	204	33	clopamide	clopamide	VERB
admet-2278	204	34	µeff4.4	µeff4.4	PUNCT
admet-2278	204	35	=	=	SYM
admet-2278	204	36	0.000	0.000	NUM
admet-2278	204	37	±	±	NUM
admet-2278	204	38	0.000	0.000	NUM
admet-2278	204	39	and	and	CCONJ
admet-2278	204	40	indapamide	indapamide	ADV
admet-2278	204	41	µeff4.4	µeff4.4	PUNCT
admet-2278	204	42	=	=	SYM
admet-2278	204	43	0.000	0.000	NUM
admet-2278	204	44	±	±	NUM
admet-2278	204	45	0.000	0.000	NUM
admet-2278	204	46	)	)	PUNCT
admet-2278	204	47	clearly	clearly	ADV
admet-2278	204	48	showed	show	VERB
admet-2278	204	49	a	a	DET
admet-2278	204	50	significant	significant	ADJ
admet-2278	204	51	deviation	deviation	NOUN
admet-2278	204	52	from	from	ADP
admet-2278	204	53	the	the	DET
admet-2278	204	54	regression	regression	NOUN
admet-2278	204	55	line	line	NOUN
admet-2278	204	56	on	on	ADP
admet-2278	204	57	the	the	DET
admet-2278	204	58	t1	t1	NOUN
admet-2278	204	59	vs.	vs.	ADP
admet-2278	204	60	u1	u1	PROPN
admet-2278	204	61	scater	scater	NOUN
admet-2278	204	62	plot	plot	NOUN
admet-2278	204	63	and	and	CCONJ
admet-2278	204	64	were	be	AUX
admet-2278	204	65	therefore	therefore	ADV
admet-2278	204	66	identified	identify	VERB
admet-2278	204	67	as	as	ADP
admet-2278	204	68	outliers	outlier	NOUN
admet-2278	204	69	.	.	PUNCT
admet-2278	205	1	the	the	DET
admet-2278	205	2	remaining	remain	VERB
admet-2278	205	3	6	6	NUM
admet-2278	205	4	compounds	compound	NOUN
admet-2278	205	5	(	(	PUNCT
admet-2278	205	6	amiloride	amiloride	ADV
admet-2278	205	7	,	,	PUNCT
admet-2278	205	8	carvedilol	carvedilol	PROPN
admet-2278	205	9	,	,	PUNCT
admet-2278	205	10	ephedrine	ephedrine	NOUN
admet-2278	205	11	,	,	PUNCT
admet-2278	205	12	mianserin	mianserin	NOUN
admet-2278	205	13	,	,	PUNCT
admet-2278	205	14	tizanidine	tizanidine	NOUN
admet-2278	205	15	and	and	CCONJ
admet-2278	205	16	xylometazoline	xylometazoline	PROPN
admet-2278	205	17	)	)	PUNCT
admet-2278	205	18	were	be	AUX
admet-2278	205	19	used	use	VERB
admet-2278	205	20	for	for	ADP
admet-2278	205	21	external	external	ADJ
admet-2278	205	22	validation	validation	NOUN
admet-2278	205	23	.	.	PUNCT
admet-2278	206	1	the	the	DET
admet-2278	206	2	most	most	ADV
admet-2278	206	3	significant	significant	ADJ
admet-2278	206	4	mlr	mlr	NOUN
admet-2278	206	5	-	-	PUNCT
admet-2278	206	6	qsmr	qsmr	NOUN
admet-2278	206	7	model	model	NOUN
admet-2278	206	8	at	at	ADP
admet-2278	206	9	ph	ph	PROPN
admet-2278	206	10	4.4	4.4	NUM
admet-2278	206	11	was	be	AUX
admet-2278	206	12	formed	form	VERB
admet-2278	206	13	with	with	ADP
admet-2278	206	14	4	4	NUM
admet-2278	206	15	descriptors	descriptor	NOUN
admet-2278	206	16	,	,	PUNCT
admet-2278	206	17	equation	equation	NOUN
admet-2278	206	18	(	(	PUNCT
admet-2278	206	19	17	17	NUM
admet-2278	206	20	):	):	PUNCT
admet-2278	206	21	mlr	mlr	NOUN
admet-2278	206	22	-	-	PUNCT
admet-2278	206	23	qsmr	qsmr	NOUN
admet-2278	206	24	(	(	PUNCT
admet-2278	206	25	µeff	µeff	PROPN
admet-2278	206	26	4.4	4.4	NUM
admet-2278	206	27	)	)	PUNCT
admet-2278	206	28	=	=	NOUN
admet-2278	207	1	45.51010	45.51010	NUM
admet-2278	207	2	3.93697×ats6s	3.93697×ats6s	NUM
admet-2278	207	3	0.12728×atsc6	0.12728×atsc6	NOUN
admet-2278	207	4	m	m	NOUN
admet-2278	207	5	+	+	NOUN
admet-2278	207	6	1.09327×mor30i	1.09327×mor30i	NUM
admet-2278	208	1	+	+	CCONJ
admet-2278	208	2	0.03226×atsc8	0.03226×atsc8	NOUN
admet-2278	208	3	m	m	NOUN
admet-2278	208	4	(	(	PUNCT
admet-2278	208	5	17	17	NUM
admet-2278	208	6	)	)	PUNCT
admet-2278	208	7	the	the	DET
admet-2278	208	8	pls	pls	NOUN
admet-2278	208	9	analysis	analysis	NOUN
admet-2278	208	10	also	also	ADV
admet-2278	208	11	selected	select	VERB
admet-2278	208	12	the	the	DET
admet-2278	208	13	model	model	NOUN
admet-2278	208	14	with	with	ADP
admet-2278	208	15	the	the	DET
admet-2278	208	16	four	four	NUM
admet-2278	208	17	descriptors	descriptor	NOUN
admet-2278	208	18	that	that	PRON
admet-2278	208	19	showed	show	VERB
admet-2278	208	20	the	the	DET
admet-2278	208	21	greatest	great	ADJ
admet-2278	208	22	influence	influence	NOUN
admet-2278	208	23	on	on	ADP
admet-2278	208	24	the	the	DET
admet-2278	208	25	dependent	dependent	ADJ
admet-2278	208	26	variable	variable	ADJ
admet-2278	208	27	μeff	μeff	PROPN
admet-2278	208	28	4.4	4.4	NUM
admet-2278	208	29	,	,	PUNCT
admet-2278	208	30	equation	equation	NOUN
admet-2278	208	31	(	(	PUNCT
admet-2278	208	32	18	18	NUM
admet-2278	208	33	)	)	PUNCT
admet-2278	208	34	pls	pls	NOUN
admet-2278	208	35	-	-	PUNCT
admet-2278	208	36	qsmr	qsmr	NOUN
admet-2278	208	37	(	(	PUNCT
admet-2278	208	38	µeff	µeff	PROPN
admet-2278	208	39	4.4	4.4	NUM
admet-2278	208	40	)	)	PUNCT
admet-2278	208	41	=	=	SYM
admet-2278	208	42	ƒ(ho_dz(e	ƒ(ho_dz(e	ADJ
admet-2278	208	43	)	)	PUNCT
admet-2278	208	44	;	;	PUNCT
admet-2278	209	1	ats6s	ats6s	PROPN
admet-2278	209	2	;	;	PUNCT
admet-2278	209	3	ats7s	ats7s	NUM
admet-2278	209	4	;	;	PUNCT
admet-2278	209	5	atsc6	atsc6	PROPN
admet-2278	209	6	m	m	PROPN
admet-2278	209	7	(	(	PUNCT
admet-2278	209	8	18	18	NUM
admet-2278	209	9	)	)	PUNCT
admet-2278	209	10	according	accord	VERB
admet-2278	209	11	to	to	ADP
admet-2278	209	12	the	the	DET
admet-2278	209	13	better	well	ADJ
admet-2278	209	14	statistical	statistical	ADJ
admet-2278	209	15	parameters	parameter	NOUN
admet-2278	209	16	of	of	ADP
admet-2278	209	17	the	the	DET
admet-2278	209	18	pls	pls	NOUN
admet-2278	209	19	-	-	PUNCT
admet-2278	209	20	qsmr	qsmr	NOUN
admet-2278	209	21	model	model	NOUN
admet-2278	209	22	(	(	PUNCT
admet-2278	209	23	q2	q2	NOUN
admet-2278	209	24	=	=	NOUN
admet-2278	209	25	0.931	0.931	NUM
admet-2278	209	26	,	,	PUNCT
admet-2278	209	27	f	f	PROPN
admet-2278	209	28	=	=	SYM
admet-2278	209	29	115.508	115.508	NUM
admet-2278	209	30	,	,	PUNCT
admet-2278	209	31	p	p	NOUN
admet-2278	209	32	=	=	NOUN
admet-2278	209	33	1.28×10	1.28×10	NUM
admet-2278	209	34	-	-	SYM
admet-2278	209	35	10	10	NUM
admet-2278	209	36	,	,	PUNCT
admet-2278	209	37	r2	r2	PROPN
admet-2278	209	38	test	test	NOUN
admet-2278	209	39	=	=	NOUN
admet-2278	209	40	0.897	0.897	NUM
admet-2278	209	41	and	and	CCONJ
admet-2278	209	42	rmsep	rmsep	NOUN
admet-2278	209	43	=	=	NOUN
admet-2278	209	44	0.984	0.984	NUM
admet-2278	209	45	)	)	PUNCT
admet-2278	209	46	compared	compare	VERB
admet-2278	209	47	to	to	ADP
admet-2278	209	48	the	the	DET
admet-2278	209	49	mlr	mlr	NOUN
admet-2278	209	50	-	-	PUNCT
admet-2278	209	51	qsmr	qsmr	NOUN
admet-2278	209	52	model	model	NOUN
admet-2278	209	53	(	(	PUNCT
admet-2278	209	54	q2	q2	NOUN
admet-2278	209	55	=	=	PUNCT
admet-2278	209	56	0.880	0.880	NUM
admet-2278	209	57	,	,	PUNCT
admet-2278	209	58	f	f	PROPN
admet-2278	209	59	=	=	SYM
admet-2278	209	60	64.338	64.338	PROPN
admet-2278	209	61	,	,	PUNCT
admet-2278	209	62	p	p	NOUN
admet-2278	209	63	=	=	NOUN
admet-2278	209	64	2.92×10	2.92×10	NUM
admet-2278	209	65	-	-	SYM
admet-2278	209	66	9	9	NUM
admet-2278	209	67	,	,	PUNCT
admet-2278	209	68	r2	r2	PROPN
admet-2278	209	69	test	test	NOUN
admet-2278	209	70	=	=	PUNCT
admet-2278	209	71	0.876	0.876	NUM
admet-2278	209	72	and	and	CCONJ
admet-2278	209	73	rmsep	rmsep	NOUN
admet-2278	209	74	=	=	NOUN
admet-2278	209	75	1.063	1.063	NUM
admet-2278	209	76	)	)	PUNCT
admet-2278	209	77	(	(	PUNCT
admet-2278	209	78	tables	table	NOUN
admet-2278	209	79	3	3	NUM
admet-2278	209	80	and	and	CCONJ
admet-2278	209	81	4	4	NUM
admet-2278	209	82	)	)	PUNCT
admet-2278	209	83	,	,	PUNCT
admet-2278	209	84	the	the	DET
admet-2278	209	85	pls	pls	NOUN
admet-2278	209	86	-	-	PUNCT
admet-2278	209	87	qsmr	qsmr	NOUN
admet-2278	209	88	model	model	NOUN
admet-2278	209	89	can	can	AUX
admet-2278	209	90	be	be	AUX
admet-2278	209	91	selected	select	VERB
admet-2278	209	92	as	as	ADP
admet-2278	209	93	the	the	DET
admet-2278	209	94	optimal	optimal	ADJ
admet-2278	209	95	and	and	CCONJ
admet-2278	209	96	reliable	reliable	ADJ
admet-2278	209	97	model	model	NOUN
admet-2278	209	98	for	for	ADP
admet-2278	209	99	predicting	predict	VERB
admet-2278	209	100	the	the	DET
admet-2278	209	101	electrophoretic	electrophoretic	ADJ
admet-2278	209	102	mobility	mobility	NOUN
admet-2278	209	103	of	of	ADP
admet-2278	209	104	related	related	ADJ
admet-2278	209	105	compounds	compound	NOUN
admet-2278	209	106	at	at	ADP
admet-2278	209	107	ph	ph	PROPN
admet-2278	209	108	4.4	4.4	NUM
admet-2278	209	109	.	.	PUNCT
admet-2278	210	1	qsmr	qsmr	NOUN
admet-2278	210	2	models	model	NOUN
admet-2278	210	3	at	at	ADP
admet-2278	210	4	ph	ph	PROPN
admet-2278	210	5	7.4	7.4	NUM
admet-2278	210	6	were	be	AUX
admet-2278	210	7	formed	form	VERB
admet-2278	210	8	with	with	ADP
admet-2278	210	9	20	20	NUM
admet-2278	210	10	compounds	compound	NOUN
admet-2278	210	11	in	in	ADP
admet-2278	210	12	the	the	DET
admet-2278	210	13	training	training	NOUN
admet-2278	210	14	set	set	NOUN
admet-2278	210	15	,	,	PUNCT
admet-2278	210	16	while	while	SCONJ
admet-2278	210	17	5	5	NUM
admet-2278	210	18	compounds	compound	NOUN
admet-2278	210	19	(	(	PUNCT
admet-2278	210	20	ephedrine	ephedrine	NOUN
admet-2278	210	21	,	,	PUNCT
admet-2278	210	22	olanzapine	olanzapine	NOUN
admet-2278	210	23	,	,	PUNCT
admet-2278	210	24	oxymetazoline	oxymetazoline	NOUN
admet-2278	210	25	,	,	PUNCT
admet-2278	210	26	tamsulosin	tamsulosin	NOUN
admet-2278	210	27	and	and	CCONJ
admet-2278	210	28	tizanidine	tizanidine	NOUN
admet-2278	210	29	)	)	PUNCT
admet-2278	210	30	were	be	AUX
admet-2278	210	31	retained	retain	VERB
admet-2278	210	32	in	in	ADP
admet-2278	210	33	the	the	DET
admet-2278	210	34	test	test	NOUN
admet-2278	210	35	set	set	NOUN
admet-2278	210	36	.	.	PUNCT
admet-2278	211	1	considering	consider	VERB
admet-2278	211	2	the	the	DET
admet-2278	211	3	fact	fact	NOUN
admet-2278	211	4	that	that	SCONJ
admet-2278	211	5	the	the	DET
admet-2278	211	6	investigated	investigated	ADJ
admet-2278	211	7	data	data	NOUN
admet-2278	211	8	sets	set	NOUN
admet-2278	211	9	are	be	AUX
admet-2278	211	10	very	very	ADV
admet-2278	211	11	different	different	ADJ
admet-2278	211	12	in	in	ADP
admet-2278	211	13	their	their	PRON
admet-2278	211	14	acid	acid	NOUN
admet-2278	211	15	-	-	PUNCT
admet-2278	211	16	base	base	NOUN
admet-2278	211	17	properties	property	NOUN
admet-2278	211	18	,	,	PUNCT
admet-2278	211	19	the	the	DET
admet-2278	211	20	resulting	result	VERB
admet-2278	211	21	differences	difference	NOUN
admet-2278	211	22	in	in	ADP
admet-2278	211	23	effective	effective	ADJ
admet-2278	211	24	electrophoretic	electrophoretic	ADJ
admet-2278	211	25	mobility	mobility	NOUN
admet-2278	211	26	are	be	AUX
admet-2278	211	27	significant	significant	ADJ
admet-2278	211	28	(	(	PUNCT
admet-2278	211	29	table	table	NOUN
admet-2278	211	30	s1	s1	NOUN
admet-2278	211	31	,	,	PUNCT
admet-2278	211	32	supplementary	supplementary	ADJ
admet-2278	211	33	material	material	NOUN
admet-2278	211	34	)	)	PUNCT
admet-2278	211	35	.	.	PUNCT
admet-2278	212	1	clopamide	clopamide	NOUN
admet-2278	212	2	and	and	CCONJ
admet-2278	212	3	indapamide	indapamide	ADV
admet-2278	212	4	,	,	PUNCT
admet-2278	212	5	which	which	PRON
admet-2278	212	6	carry	carry	VERB
admet-2278	212	7	a	a	DET
admet-2278	212	8	weakly	weakly	ADJ
admet-2278	212	9	acidic	acidic	ADJ
admet-2278	212	10	sulfonamide	sulfonamide	NOUN
admet-2278	212	11	group	group	NOUN
admet-2278	212	12	,	,	PUNCT
admet-2278	212	13	are	be	AUX
admet-2278	212	14	still	still	ADV
admet-2278	212	15	predominantly	predominantly	ADV
admet-2278	212	16	unionized	unionize	VERB
admet-2278	212	17	at	at	ADP
admet-2278	212	18	ph	ph	PROPN
admet-2278	212	19	7.4	7.4	NUM
admet-2278	212	20	and	and	CCONJ
admet-2278	212	21	move	move	VERB
admet-2278	212	22	together	together	ADV
admet-2278	212	23	with	with	ADP
admet-2278	212	24	the	the	DET
admet-2278	212	25	electroosmotic	electroosmotic	ADJ
admet-2278	212	26	flow	flow	NOUN
admet-2278	212	27	,	,	PUNCT
admet-2278	212	28	resulting	result	VERB
admet-2278	212	29	in	in	ADP
admet-2278	212	30	an	an	DET
admet-2278	212	31	electrophoretic	electrophoretic	ADJ
admet-2278	212	32	mobility	mobility	NOUN
admet-2278	212	33	of	of	ADP
admet-2278	212	34	zero	zero	NUM
admet-2278	212	35	.	.	PUNCT
admet-2278	213	1	https://doi.org/10.5599/admet.2278	https://doi.org/10.5599/admet.2278	PROPN
admet-2278	213	2	s.	s.	PROPN
admet-2278	213	3	oljacic	oljacic	VERB
admet-2278	214	1	et	et	PROPN
admet-2278	214	2	al	al	PROPN
admet-2278	214	3	.	.	PROPN
admet-2278	214	4	admet	admet	PROPN
admet-2278	214	5	&	&	CCONJ
admet-2278	214	6	dmpk	dmpk	PROPN
admet-2278	214	7	12(5	12(5	NUM
admet-2278	214	8	)	)	PUNCT
admet-2278	214	9	(	(	PUNCT
admet-2278	214	10	2024	2024	NUM
admet-2278	214	11	)	)	PUNCT
admet-2278	214	12	737	737	NUM
admet-2278	214	13	-	-	SYM
admet-2278	214	14	757	757	NUM
admet-2278	214	15	748	748	NUM
admet-2278	214	16	table	table	NOUN
admet-2278	214	17	3	3	NUM
admet-2278	214	18	.	.	PUNCT
admet-2278	215	1	the	the	DET
admet-2278	215	2	most	most	ADV
admet-2278	215	3	important	important	ADJ
admet-2278	215	4	statistical	statistical	ADJ
admet-2278	215	5	parameters	parameter	NOUN
admet-2278	215	6	obtained	obtain	VERB
admet-2278	215	7	for	for	ADP
admet-2278	215	8	mlr	mlr	NOUN
admet-2278	215	9	-	-	PUNCT
admet-2278	215	10	qsmr	qsmr	NOUN
admet-2278	215	11	and	and	CCONJ
admet-2278	215	12	pls	pls	NOUN
admet-2278	215	13	-	-	PUNCT
admet-2278	215	14	qsmr	qsmr	NOUN
admet-2278	215	15	models	model	NOUN
admet-2278	215	16	model	model	PROPN
admet-2278	215	17	q2	q2	PROPN
admet-2278	215	18	r2	r2	PROPN
admet-2278	216	1	f	f	PROPN
admet-2278	217	1	p	p	PROPN
admet-2278	217	2	rmsee	rmsee	ADJ
admet-2278	217	3	rmsep	rmsep	PROPN
admet-2278	217	4	r2	r2	PROPN
admet-2278	217	5	intercept	intercept	PROPN
admet-2278	217	6	q2	q2	PROPN
admet-2278	217	7	intercept	intercept	PROPN
admet-2278	217	8	mlr	mlr	NOUN
admet-2278	217	9	-	-	PUNCT
admet-2278	217	10	qsmr	qsmr	NOUN
admet-2278	217	11	(	(	PUNCT
admet-2278	217	12	μeff	μeff	PROPN
admet-2278	217	13	4.4	4.4	NUM
admet-2278	217	14	)	)	PUNCT
admet-2278	217	15	0.880	0.880	NUM
admet-2278	217	16	0.945	0.945	NUM
admet-2278	217	17	64.338	64.338	NUM
admet-2278	217	18	2.92e-09	2.92e-09	NUM
admet-2278	217	19	0.739	0.739	NUM
admet-2278	217	20	1.063	1.063	NUM
admet-2278	217	21	pls	pls	NOUN
admet-2278	217	22	-	-	PUNCT
admet-2278	217	23	qsmr	qsmr	NOUN
admet-2278	217	24	(	(	PUNCT
admet-2278	217	25	μeff	μeff	NOUN
admet-2278	217	26	4.4	4.4	NUM
admet-2278	217	27	)	)	PUNCT
admet-2278	217	28	0.931	0.931	NUM
admet-2278	217	29	0.939	0.939	NUM
admet-2278	217	30	115.508	115.508	NUM
admet-2278	217	31	1.28e-10	1.28e-10	NUM
admet-2278	217	32	0.776	0.776	NUM
admet-2278	217	33	0.984	0.984	NUM
admet-2278	217	34	-0.111	-0.111	X
admet-2278	217	35	-0.228	-0.228	PROPN
admet-2278	217	36	mlr	mlr	NOUN
admet-2278	217	37	-	-	PUNCT
admet-2278	217	38	qsmr	qsmr	NOUN
admet-2278	217	39	(	(	PUNCT
admet-2278	217	40	μeff	μeff	NOUN
admet-2278	217	41	7.4	7.4	NUM
admet-2278	217	42	)	)	PUNCT
admet-2278	217	43	0.858	0.858	NUM
admet-2278	217	44	0.932	0.932	NUM
admet-2278	217	45	51.412	51.412	NUM
admet-2278	217	46	1.4e-08	1.4e-08	NUM
admet-2278	217	47	1.569	1.569	NUM
admet-2278	217	48	2.216	2.216	NUM
admet-2278	217	49	pls	pls	NOUN
admet-2278	217	50	-	-	PUNCT
admet-2278	217	51	qsmr	qsmr	NOUN
admet-2278	217	52	(	(	PUNCT
admet-2278	217	53	μeff	μeff	NOUN
admet-2278	217	54	7.4	7.4	NUM
admet-2278	217	55	)	)	PUNCT
admet-2278	217	56	0.855	0.855	NUM
admet-2278	217	57	0.870	0.870	NUM
admet-2278	217	58	50.098	50.098	NUM
admet-2278	217	59	7.47e-08	7.47e-08	NUM
admet-2278	217	60	2.170	2.170	NUM
admet-2278	217	61	3.244	3.244	NUM
admet-2278	217	62	-0.0245	-0.0245	NOUN
admet-2278	217	63	-0.225	-0.225	PUNCT
admet-2278	217	64	mlr	mlr	NOUN
admet-2278	217	65	-	-	PUNCT
admet-2278	217	66	qsmr	qsmr	NOUN
admet-2278	217	67	(	(	PUNCT
admet-2278	217	68	μeff	μeff	PROPN
admet-2278	217	69	9.1	9.1	NUM
admet-2278	217	70	)	)	PUNCT
admet-2278	217	71	0.891	0.891	NUM
admet-2278	217	72	0.936	0.936	NUM
admet-2278	217	73	58.736	58.736	NUM
admet-2278	217	74	2.32e-09	2.32e-09	NUM
admet-2278	217	75	2.640	2.640	NUM
admet-2278	217	76	3.794	3.794	NUM
admet-2278	217	77	pls	pls	NOUN
admet-2278	217	78	-	-	PUNCT
admet-2278	217	79	qsmr	qsmr	NOUN
admet-2278	217	80	(	(	PUNCT
admet-2278	217	81	μeff	μeff	PROPN
admet-2278	217	82	9.1	9.1	NUM
admet-2278	217	83	)	)	PUNCT
admet-2278	217	84	0.882	0.882	NUM
admet-2278	217	85	0.916	0.916	NUM
admet-2278	217	86	29.464	29.464	NUM
admet-2278	217	87	3.35e-07	3.35e-07	NUM
admet-2278	217	88	3.033	3.033	NUM
admet-2278	217	89	4.290	4.290	NUM
admet-2278	217	90	0.046	0.046	NUM
admet-2278	217	91	-0.329	-0.329	PUNCT
admet-2278	217	92	table	table	NOUN
admet-2278	217	93	4	4	NUM
admet-2278	217	94	.	.	PUNCT
admet-2278	217	95	external	external	ADJ
admet-2278	217	96	validation	validation	NOUN
admet-2278	217	97	parameters	parameter	NOUN
admet-2278	217	98	for	for	ADP
admet-2278	217	99	qsmr	qsmr	NOUN
admet-2278	217	100	models	model	NOUN
admet-2278	217	101	,	,	PUNCT
admet-2278	217	102	based	base	VERB
admet-2278	217	103	on	on	ADP
admet-2278	217	104	golbraikh	golbraikh	NOUN
admet-2278	217	105	,	,	PUNCT
admet-2278	217	106	tropsha	tropsha	PROPN
admet-2278	217	107	,	,	PUNCT
admet-2278	217	108	and	and	CCONJ
admet-2278	217	109	roy	roy	PROPN
admet-2278	217	110	[	[	X
admet-2278	217	111	22	22	NUM
admet-2278	217	112	-	-	SYM
admet-2278	217	113	24	24	NUM
admet-2278	217	114	]	]	PUNCT
admet-2278	217	115	model	model	NOUN
admet-2278	217	116	r2	r2	PROPN
admet-2278	217	117	r0	r0	PROPN
admet-2278	217	118	2	2	NUM
admet-2278	217	119	(	(	PUNCT
admet-2278	217	120	r2	r2	NOUN
admet-2278	217	121	-	-	PUNCT
admet-2278	217	122	r0	r0	NOUN
admet-2278	217	123	2)/r2	2)/r2	NUM
admet-2278	217	124	k	k	NOUN
admet-2278	217	125	r'02	r'02	PROPN
admet-2278	217	126	(	(	PUNCT
admet-2278	217	127	r2	r2	NOUN
admet-2278	217	128	-	-	PUNCT
admet-2278	217	129	r'02)/r2	r'02)/r2	NOUN
admet-2278	217	130	k	k	NOUN
admet-2278	217	131	'	'	PUNCT
admet-2278	217	132	r2	r2	NOUN
admet-2278	217	133	pred	pre	VERB
admet-2278	217	134	2	2	NUM
admet-2278	217	135	mr	mr	PROPN
admet-2278	217	136	2	2	NUM
admet-2278	217	137	mr	mr	NOUN
admet-2278	217	138	2	2	NUM
admet-2278	217	139	mr	mr	PROPN
admet-2278	217	140	2	2	NUM
admet-2278	217	141	mr	mr	NOUN
admet-2278	217	142	mlr	mlr	NOUN
admet-2278	217	143	-	-	PUNCT
admet-2278	217	144	qsmr	qsmr	NOUN
admet-2278	217	145	(	(	PUNCT
admet-2278	217	146	μeff	μeff	NOUN
admet-2278	217	147	4.4	4.4	NUM
admet-2278	217	148	)	)	PUNCT
admet-2278	217	149	0.876	0.876	NUM
admet-2278	217	150	0.862	0.862	NUM
admet-2278	217	151	0.016	0.016	NUM
admet-2278	217	152	0.999	0.999	NUM
admet-2278	217	153	0.876	0.876	NUM
admet-2278	217	154	0.000	0.000	NUM
admet-2278	217	155	0.999	0.999	NUM
admet-2278	217	156	0.869	0.869	NUM
admet-2278	217	157	0.772	0.772	NUM
admet-2278	217	158	0.865	0.865	NUM
admet-2278	217	159	0.819	0.819	NUM
admet-2278	217	160	0.094	0.094	NUM
admet-2278	217	161	pls	pls	NOUN
admet-2278	217	162	qsmr	qsmr	NOUN
admet-2278	217	163	(	(	PUNCT
admet-2278	217	164	μeff	μeff	NOUN
admet-2278	217	165	4.4	4.4	NUM
admet-2278	217	166	)	)	PUNCT
admet-2278	217	167	0.893	0.893	NUM
admet-2278	217	168	0.882	0.882	NUM
admet-2278	217	169	0.013	0.013	NUM
admet-2278	217	170	1.002	1.002	NUM
admet-2278	217	171	0.893	0.893	NUM
admet-2278	217	172	0.000	0.000	NUM
admet-2278	217	173	0.996	0.996	NUM
admet-2278	217	174	0.888	0.888	NUM
admet-2278	217	175	0.798	0.798	NUM
admet-2278	217	176	0.888	0.888	NUM
admet-2278	217	177	0.843	0.843	NUM
admet-2278	217	178	0.089	0.089	NUM
admet-2278	217	179	mlr	mlr	NOUN
admet-2278	217	180	-	-	PUNCT
admet-2278	217	181	qsmr	qsmr	NOUN
admet-2278	217	182	(	(	PUNCT
admet-2278	217	183	μeff	μeff	NOUN
admet-2278	217	184	7.4	7.4	NUM
admet-2278	217	185	)	)	PUNCT
admet-2278	217	186	0.788	0.788	NUM
admet-2278	217	187	0.771	0.771	NUM
admet-2278	217	188	0.022	0.022	NUM
admet-2278	217	189	1.003	1.003	NUM
admet-2278	217	190	0.781	0.781	NUM
admet-2278	217	191	0.009	0.009	NUM
admet-2278	217	192	0.980	0.980	NUM
admet-2278	217	193	0.799	0.799	NUM
admet-2278	217	194	0.685	0.685	NUM
admet-2278	217	195	0.722	0.722	NUM
admet-2278	217	196	0.703	0.703	NUM
admet-2278	217	197	0.037	0.037	NUM
admet-2278	217	198	pls	pls	NOUN
admet-2278	217	199	-	-	PUNCT
admet-2278	217	200	qsmr	qsmr	NOUN
admet-2278	217	201	(	(	PUNCT
admet-2278	217	202	μeff	μeff	NOUN
admet-2278	217	203	7.4	7.4	NUM
admet-2278	217	204	)	)	PUNCT
admet-2278	217	205	0.686	0.686	NUM
admet-2278	217	206	0.563	0.563	NUM
admet-2278	217	207	0.178	0.178	NUM
admet-2278	217	208	0.938	0.938	NUM
admet-2278	217	209	-0.818	-0.818	NUM
admet-2278	217	210	2.192	2.192	NUM
admet-2278	217	211	1.030	1.030	NUM
admet-2278	217	212	0.570	0.570	NUM
admet-2278	217	213	0.446	0.446	NUM
admet-2278	217	214	-0.155	-0.155	NOUN
admet-2278	217	215	0.145	0.145	NUM
admet-2278	217	216	0.601	0.601	NUM
admet-2278	217	217	mlr	mlr	NOUN
admet-2278	217	218	-	-	PUNCT
admet-2278	217	219	qsmr	qsmr	NOUN
admet-2278	217	220	(	(	PUNCT
admet-2278	217	221	μeff	μeff	PROPN
admet-2278	217	222	9.1	9.1	NUM
admet-2278	217	223	)	)	PUNCT
admet-2278	217	224	0.879	0.879	NUM
admet-2278	217	225	0.860	0.860	NUM
admet-2278	217	226	0.022	0.022	NUM
admet-2278	217	227	0.843	0.843	NUM
admet-2278	217	228	0.814	0.814	NUM
admet-2278	217	229	0.075	0.075	NUM
admet-2278	217	230	1.096	1.096	NUM
admet-2278	217	231	0.802	0.802	NUM
admet-2278	217	232	0.758	0.758	NUM
admet-2278	217	233	0.654	0.654	NUM
admet-2278	217	234	0.706	0.706	NUM
admet-2278	217	235	0.104	0.104	PRON
admet-2278	217	236	pls	pls	NOUN
admet-2278	217	237	-	-	PUNCT
admet-2278	217	238	qsmr	qsmr	NOUN
admet-2278	217	239	(	(	PUNCT
admet-2278	217	240	μeff	μeff	PROPN
admet-2278	217	241	9.1	9.1	NUM
admet-2278	217	242	)	)	PUNCT
admet-2278	217	243	0.873	0.873	NUM
admet-2278	217	244	0.834	0.834	NUM
admet-2278	217	245	0.045	0.045	NUM
admet-2278	217	246	0.813	0.813	NUM
admet-2278	217	247	0.750	0.750	NUM
admet-2278	217	248	0.141	0.141	NUM
admet-2278	217	249	1.118	1.118	NUM
admet-2278	217	250	0.747	0.747	NUM
admet-2278	217	251	0.701	0.701	NUM
admet-2278	217	252	0.567	0.567	NUM
admet-2278	217	253	0.634	0.634	NUM
admet-2278	217	254	0.134	0.134	NUM
admet-2278	217	255	a	a	DET
admet-2278	217	256	very	very	ADV
admet-2278	217	257	low	low	ADJ
admet-2278	217	258	effective	effective	ADJ
admet-2278	217	259	electrophoretic	electrophoretic	ADJ
admet-2278	217	260	mobility	mobility	NOUN
admet-2278	217	261	is	be	AUX
admet-2278	217	262	also	also	ADV
admet-2278	217	263	obtained	obtain	VERB
admet-2278	217	264	for	for	ADP
admet-2278	217	265	triamterene	triamterene	NOUN
admet-2278	217	266	(	(	PUNCT
admet-2278	217	267	µeff7.4	µeff7.4	PROPN
admet-2278	217	268	=	=	SYM
admet-2278	217	269	1.140±0.053×	1.140±0.053×	NUM
admet-2278	217	270	×10	×10	NOUN
admet-2278	217	271	-	-	SYM
admet-2278	217	272	5	5	NUM
admet-2278	217	273	cm2	cm2	PROPN
admet-2278	217	274	/	/	SYM
admet-2278	217	275	v	v	NOUN
admet-2278	217	276	s	s	NOUN
admet-2278	217	277	)	)	PUNCT
admet-2278	217	278	as	as	ADP
admet-2278	217	279	a	a	DET
admet-2278	217	280	weak	weak	ADJ
admet-2278	217	281	base	base	NOUN
admet-2278	217	282	and	and	CCONJ
admet-2278	217	283	guanfacine	guanfacine	NOUN
admet-2278	217	284	(	(	PUNCT
admet-2278	217	285	µeff7.4	µeff7.4	X
admet-2278	217	286	=	=	PUNCT
admet-2278	217	287	5.083	5.083	NUM
admet-2278	217	288	±	±	NOUN
admet-2278	217	289	0.025×10	0.025×10	NOUN
admet-2278	217	290	-	-	SYM
admet-2278	217	291	5	5	NUM
admet-2278	217	292	cm2	cm2	PROPN
admet-2278	217	293	/	/	SYM
admet-2278	217	294	v	v	NOUN
admet-2278	217	295	s	s	NOUN
admet-2278	217	296	)	)	PUNCT
admet-2278	217	297	.	.	PUNCT
admet-2278	218	1	the	the	DET
admet-2278	218	2	y	y	NOUN
admet-2278	218	3	-	-	PUNCT
admet-2278	218	4	values	value	NOUN
admet-2278	218	5	of	of	ADP
admet-2278	218	6	these	these	DET
admet-2278	218	7	compounds	compound	NOUN
admet-2278	218	8	in	in	ADP
admet-2278	218	9	relation	relation	NOUN
admet-2278	218	10	to	to	ADP
admet-2278	218	11	the	the	DET
admet-2278	218	12	calculated	calculated	ADJ
admet-2278	218	13	x	x	NOUN
admet-2278	218	14	-	-	NOUN
admet-2278	218	15	values	value	NOUN
admet-2278	218	16	showed	show	VERB
admet-2278	218	17	a	a	DET
admet-2278	218	18	significant	significant	ADJ
admet-2278	218	19	deviation	deviation	NOUN
admet-2278	218	20	in	in	ADP
admet-2278	218	21	the	the	DET
admet-2278	218	22	scatter	scatter	NOUN
admet-2278	218	23	plot	plot	NOUN
admet-2278	218	24	t1	t1	NOUN
admet-2278	218	25	vs.	vs.	ADP
admet-2278	218	26	u1	u1	NOUN
admet-2278	218	27	and	and	CCONJ
admet-2278	218	28	were	be	AUX
admet-2278	218	29	identified	identify	VERB
admet-2278	218	30	as	as	ADP
admet-2278	218	31	outliers	outlier	NOUN
admet-2278	218	32	.	.	PUNCT
admet-2278	219	1	the	the	DET
admet-2278	219	2	most	most	ADV
admet-2278	219	3	significant	significant	ADJ
admet-2278	219	4	mlr	mlr	NOUN
admet-2278	219	5	-	-	PUNCT
admet-2278	219	6	qsmr	qsmr	NOUN
admet-2278	219	7	model	model	NOUN
admet-2278	219	8	is	be	AUX
admet-2278	219	9	composed	compose	VERB
admet-2278	219	10	of	of	ADP
admet-2278	219	11	4	4	NUM
admet-2278	219	12	descriptors	descriptor	NOUN
admet-2278	219	13	,	,	PUNCT
admet-2278	219	14	equation	equation	NOUN
admet-2278	219	15	(	(	PUNCT
admet-2278	219	16	19	19	NUM
admet-2278	219	17	):	):	PUNCT
admet-2278	219	18	mlr	mlr	NOUN
admet-2278	219	19	-	-	PUNCT
admet-2278	219	20	qsmr	qsmr	NOUN
admet-2278	219	21	(	(	PUNCT
admet-2278	219	22	µeff7.4	µeff7.4	NUM
admet-2278	219	23	)	)	PUNCT
admet-2278	219	24	=	=	PUNCT
admet-2278	220	1	34.68883	34.68883	NUM
admet-2278	220	2	31.30360×ggi6	31.30360×ggi6	NUM
admet-2278	220	3	-158.70600×r7u+	-158.70600×r7u+	NOUN
admet-2278	220	4	+	+	CCONJ
admet-2278	220	5	1.21557×mor28s	1.21557×mor28s	NUM
admet-2278	220	6	10.57450×hats2i	10.57450×hats2i	NUM
admet-2278	220	7	(	(	PUNCT
admet-2278	220	8	19	19	NUM
admet-2278	220	9	)	)	PUNCT
admet-2278	220	10	using	use	VERB
admet-2278	220	11	pls	pls	NOUN
admet-2278	220	12	analysis	analysis	NOUN
admet-2278	220	13	,	,	PUNCT
admet-2278	220	14	a	a	DET
admet-2278	220	15	model	model	NOUN
admet-2278	220	16	was	be	AUX
admet-2278	220	17	constructed	construct	VERB
admet-2278	220	18	with	with	ADP
admet-2278	220	19	5	5	NUM
admet-2278	220	20	molecular	molecular	ADJ
admet-2278	220	21	descriptors	descriptor	NOUN
admet-2278	220	22	that	that	PRON
admet-2278	220	23	significantly	significantly	ADV
admet-2278	220	24	affect	affect	VERB
admet-2278	220	25	the	the	DET
admet-2278	220	26	electrophoretic	electrophoretic	ADJ
admet-2278	220	27	mobility	mobility	NOUN
admet-2278	220	28	of	of	ADP
admet-2278	220	29	the	the	DET
admet-2278	220	30	studied	study	VERB
admet-2278	220	31	compounds	compound	NOUN
admet-2278	220	32	at	at	ADP
admet-2278	220	33	ph	ph	ADJ
admet-2278	220	34	7.4	7.4	NUM
admet-2278	220	35	,	,	PUNCT
admet-2278	220	36	equation	equation	NOUN
admet-2278	220	37	(	(	PUNCT
admet-2278	220	38	19	19	NUM
admet-2278	220	39	):	):	PUNCT
admet-2278	220	40	pls	pls	NOUN
admet-2278	220	41	-	-	PUNCT
admet-2278	220	42	qsmr	qsmr	NOUN
admet-2278	220	43	(	(	PUNCT
admet-2278	220	44	µeff	µeff	NOUN
admet-2278	220	45	7.4	7.4	NUM
admet-2278	220	46	)	)	PUNCT
admet-2278	220	47	=	=	PUNCT
admet-2278	221	1	ƒ(ggi6	ƒ(ggi6	ADJ
admet-2278	221	2	;	;	PUNCT
admet-2278	221	3	spmaxa_ea(dm	spmaxa_ea(dm	PROPN
admet-2278	221	4	)	)	PUNCT
admet-2278	221	5	;	;	PUNCT
admet-2278	221	6	g1	g1	X
admet-2278	221	7	;	;	PUNCT
admet-2278	221	8	rdf045e	rdf045e	NOUN
admet-2278	221	9	;	;	PUNCT
admet-2278	221	10	mor32	mor32	NOUN
admet-2278	221	11	m	m	PROPN
admet-2278	221	12	)	)	PUNCT
admet-2278	221	13	(	(	PUNCT
admet-2278	221	14	20	20	NUM
admet-2278	221	15	)	)	PUNCT
admet-2278	221	16	for	for	ADP
admet-2278	221	17	the	the	DET
admet-2278	221	18	mlr	mlr	NOUN
admet-2278	221	19	-	-	PUNCT
admet-2278	221	20	qsmr	qsmr	NOUN
admet-2278	221	21	model	model	NOUN
admet-2278	221	22	,	,	PUNCT
admet-2278	221	23	lower	low	ADJ
admet-2278	221	24	values	value	NOUN
admet-2278	221	25	for	for	ADP
admet-2278	221	26	rmsee	rmsee	NOUN
admet-2278	221	27	and	and	CCONJ
admet-2278	221	28	rmsep	rmsep	NOUN
admet-2278	221	29	,	,	PUNCT
admet-2278	221	30	slightly	slightly	ADV
admet-2278	221	31	better	well	ADJ
admet-2278	221	32	parameters	parameter	NOUN
admet-2278	221	33	q2	q2	NOUN
admet-2278	221	34	and	and	CCONJ
admet-2278	221	35	f	f	PROPN
admet-2278	221	36	value	value	NOUN
admet-2278	221	37	as	as	ADV
admet-2278	221	38	well	well	ADV
admet-2278	221	39	as	as	ADP
admet-2278	221	40	significantly	significantly	ADV
admet-2278	221	41	higher	high	ADJ
admet-2278	221	42	values	value	NOUN
admet-2278	221	43	for	for	ADP
admet-2278	221	44	r2	r2	PROPN
admet-2278	221	45	trening	trening	PROPN
admet-2278	221	46	and	and	CCONJ
admet-2278	221	47	r2	r2	PROPN
admet-2278	221	48	test	test	NOUN
admet-2278	221	49	were	be	AUX
admet-2278	221	50	obtained	obtain	VERB
admet-2278	221	51	compared	compare	VERB
admet-2278	221	52	to	to	ADP
admet-2278	221	53	the	the	DET
admet-2278	221	54	pls	pls	NOUN
admet-2278	221	55	-	-	PUNCT
admet-2278	221	56	qsmr	qsmr	NOUN
admet-2278	221	57	model	model	NOUN
admet-2278	221	58	(	(	PUNCT
admet-2278	221	59	tables	table	NOUN
admet-2278	221	60	3	3	NUM
admet-2278	221	61	and	and	CCONJ
admet-2278	221	62	4	4	NUM
admet-2278	221	63	)	)	PUNCT
admet-2278	221	64	.	.	PUNCT
admet-2278	222	1	in	in	ADP
admet-2278	222	2	addition	addition	NOUN
admet-2278	222	3	,	,	PUNCT
admet-2278	222	4	the	the	DET
admet-2278	222	5	pls	pls	NOUN
admet-2278	222	6	-	-	PUNCT
admet-2278	222	7	qsmr	qsmr	NOUN
admet-2278	222	8	model	model	NOUN
admet-2278	222	9	did	do	AUX
admet-2278	222	10	not	not	PART
admet-2278	222	11	meet	meet	VERB
admet-2278	222	12	external	external	ADJ
admet-2278	222	13	validation	validation	NOUN
admet-2278	222	14	criteria	criterion	NOUN
admet-2278	222	15	established	establish	VERB
admet-2278	222	16	by	by	ADP
admet-2278	222	17	golbraikh	golbraikh	NOUN
admet-2278	222	18	and	and	CCONJ
admet-2278	222	19	tropsha	tropsha	NOUN
admet-2278	223	1	[	[	X
admet-2278	223	2	22	22	NUM
admet-2278	223	3	]	]	PUNCT
admet-2278	224	1	[	[	X
admet-2278	224	2	(	(	PUNCT
admet-2278	224	3	r2	r2	PROPN
admet-2278	224	4	2	2	NUM
admet-2278	224	5	0r	0r	X
admet-2278	224	6	)	)	PUNCT
admet-2278	224	7	/	/	SYM
admet-2278	224	8	r2	r2	NOUN
admet-2278	224	9	=	=	PUNCT
admet-2278	224	10	0.178	0.178	NUM
admet-2278	224	11	>	>	SYM
admet-2278	224	12	0.1	0.1	NUM
admet-2278	224	13	;	;	PUNCT
admet-2278	224	14	r'02=	r'02=	PROPN
admet-2278	224	15	-0.818	-0.818	NUM
admet-2278	224	16	;	;	PUNCT
admet-2278	224	17	(	(	PUNCT
admet-2278	224	18	r2r'02	r2r'02	NOUN
admet-2278	224	19	)	)	PUNCT
admet-2278	224	20	/	/	SYM
admet-2278	224	21	r2	r2	NOUN
admet-2278	224	22	=	=	PUNCT
admet-2278	224	23	2.192	2.192	NUM
admet-2278	224	24	>	>	SYM
admet-2278	224	25	0.1	0.1	NUM
admet-2278	224	26	]	]	PUNCT
admet-2278	224	27	(	(	PUNCT
admet-2278	224	28	table	table	NOUN
admet-2278	224	29	4	4	NUM
admet-2278	224	30	)	)	PUNCT
admet-2278	224	31	;	;	PUNCT
admet-2278	224	32	and	and	CCONJ
admet-2278	224	33	roy	roy	PROPN
admet-2278	225	1	[	[	X
admet-2278	225	2	23,24	23,24	X
admet-2278	225	3	]	]	X
admet-2278	225	4	[	[	PUNCT
admet-2278	225	5	2	2	NUM
admet-2278	225	6	mr	mr	PROPN
admet-2278	225	7	=	=	PROPN
admet-2278	225	8	0.446	0.446	NUM
admet-2278	225	9	and	and	CCONJ
admet-2278	225	10	2	2	NUM
admet-2278	225	11	mr	mr	NOUN
admet-2278	225	12	=	=	SYM
admet-2278	225	13	-0.155	-0.155	PUNCT
admet-2278	225	14	are	be	AUX
admet-2278	225	15	not	not	PART
admet-2278	225	16	closed	closed	ADJ
admet-2278	225	17	;	;	PUNCT
admet-2278	225	18	2	2	NUM
admet-2278	225	19	mr	mr	NOUN
admet-2278	225	20	=	=	PROPN
admet-2278	225	21	0.145	0.145	NUM
admet-2278	225	22	<	<	X
admet-2278	225	23	0.5	0.5	NUM
admet-2278	225	24	;	;	PUNCT
admet-2278	225	25	2	2	NUM
admet-2278	225	26	mr	mr	NOUN
admet-2278	225	27	=	=	SYM
admet-2278	225	28	0.601	0.601	NUM
admet-2278	225	29	>	>	PUNCT
admet-2278	225	30	0.2	0.2	NUM
admet-2278	225	31	]	]	PUNCT
admet-2278	225	32	(	(	PUNCT
admet-2278	225	33	table	table	NOUN
admet-2278	225	34	4	4	NUM
admet-2278	225	35	)	)	PUNCT
admet-2278	225	36	indicating	indicate	VERB
admet-2278	225	37	that	that	SCONJ
admet-2278	225	38	the	the	DET
admet-2278	225	39	mlr	mlr	NOUN
admet-2278	225	40	-	-	PUNCT
admet-2278	225	41	qsmr	qsmr	NOUN
admet-2278	225	42	regression	regression	NOUN
admet-2278	225	43	equation	equation	NOUN
admet-2278	225	44	can	can	AUX
admet-2278	225	45	be	be	AUX
admet-2278	225	46	reliably	reliably	ADV
admet-2278	225	47	applied	apply	VERB
admet-2278	225	48	to	to	PART
admet-2278	225	49	predict	predict	VERB
admet-2278	225	50	the	the	DET
admet-2278	225	51	electrophoretic	electrophoretic	ADJ
admet-2278	225	52	mobility	mobility	NOUN
admet-2278	225	53	of	of	ADP
admet-2278	225	54	related	related	ADJ
admet-2278	225	55	compounds	compound	NOUN
admet-2278	225	56	at	at	ADP
admet-2278	225	57	ph	ph	PROPN
admet-2278	225	58	7.4	7.4	NUM
admet-2278	225	59	.	.	PUNCT
admet-2278	226	1	at	at	ADP
admet-2278	226	2	a	a	DET
admet-2278	226	3	ph	ph	NOUN
admet-2278	226	4	of	of	ADP
admet-2278	226	5	9.1	9.1	NUM
admet-2278	226	6	,	,	PUNCT
admet-2278	226	7	nine	nine	NUM
admet-2278	226	8	compounds	compound	NOUN
admet-2278	226	9	migrate	migrate	VERB
admet-2278	226	10	together	together	ADV
admet-2278	226	11	with	with	ADP
admet-2278	226	12	eof	eof	NOUN
admet-2278	226	13	and	and	CCONJ
admet-2278	226	14	have	have	VERB
admet-2278	226	15	an	an	DET
admet-2278	226	16	effective	effective	ADJ
admet-2278	226	17	mobility	mobility	NOUN
admet-2278	226	18	of	of	ADP
admet-2278	226	19	0	0	NUM
admet-2278	226	20	.	.	PUNCT
admet-2278	227	1	five	five	NUM
admet-2278	227	2	compounds	compound	NOUN
admet-2278	227	3	with	with	ADP
admet-2278	227	4	an	an	DET
admet-2278	227	5	effective	effective	ADJ
admet-2278	227	6	mobility	mobility	NOUN
admet-2278	227	7	of	of	ADP
admet-2278	227	8	zero	zero	NUM
admet-2278	227	9	remain	remain	VERB
admet-2278	227	10	in	in	ADP
admet-2278	227	11	the	the	DET
admet-2278	227	12	training	training	NOUN
admet-2278	227	13	set	set	NOUN
admet-2278	227	14	,	,	PUNCT
admet-2278	227	15	while	while	SCONJ
admet-2278	227	16	four	four	NUM
admet-2278	227	17	compounds	compound	NOUN
admet-2278	227	18	move	move	VERB
admet-2278	227	19	to	to	ADP
admet-2278	227	20	the	the	DET
admet-2278	227	21	test	test	NOUN
admet-2278	227	22	set	set	NOUN
admet-2278	227	23	taking	take	VERB
admet-2278	227	24	into	into	ADP
admet-2278	227	25	account	account	NOUN
admet-2278	227	26	that	that	SCONJ
admet-2278	227	27	all	all	DET
admet-2278	227	28	chemical	chemical	NOUN
admet-2278	227	29	clusters	cluster	NOUN
admet-2278	227	30	have	have	VERB
admet-2278	227	31	a	a	DET
admet-2278	227	32	representative	representative	NOUN
admet-2278	227	33	in	in	ADP
admet-2278	227	34	the	the	DET
admet-2278	227	35	test	test	NOUN
admet-2278	227	36	set	set	NOUN
admet-2278	227	37	.	.	PUNCT
admet-2278	228	1	since	since	SCONJ
admet-2278	228	2	all	all	DET
admet-2278	228	3	created	create	VERB
admet-2278	228	4	models	model	NOUN
admet-2278	228	5	were	be	AUX
admet-2278	228	6	unable	unable	ADJ
admet-2278	228	7	to	to	PART
admet-2278	228	8	predict	predict	VERB
admet-2278	228	9	the	the	DET
admet-2278	228	10	mobility	mobility	NOUN
admet-2278	228	11	of	of	ADP
admet-2278	228	12	harman	harman	NOUN
admet-2278	228	13	and	and	CCONJ
admet-2278	228	14	mianserin	mianserin	PROPN
admet-2278	228	15	(	(	PUNCT
admet-2278	228	16	µeff	µeff	NOUN
admet-2278	228	17	=	=	SYM
admet-2278	228	18	0	0	NUM
admet-2278	228	19	)	)	PUNCT
admet-2278	228	20	and	and	CCONJ
admet-2278	228	21	taking	take	VERB
admet-2278	228	22	into	into	ADP
admet-2278	228	23	account	account	NOUN
admet-2278	228	24	that	that	SCONJ
admet-2278	228	25	these	these	DET
admet-2278	228	26	two	two	NUM
admet-2278	228	27	compounds	compound	NOUN
admet-2278	228	28	had	have	VERB
admet-2278	228	29	the	the	DET
admet-2278	228	30	greatest	great	ADJ
admet-2278	228	31	deviation	deviation	NOUN
admet-2278	228	32	on	on	ADP
admet-2278	228	33	the	the	DET
admet-2278	228	34	t1	t1	NOUN
admet-2278	228	35	vs.	vs.	ADP
admet-2278	228	36	u1	u1	PROPN
admet-2278	228	37	plot	plot	NOUN
admet-2278	228	38	,	,	PUNCT
admet-2278	228	39	among	among	ADP
admet-2278	228	40	others	other	NOUN
admet-2278	228	41	from	from	ADP
admet-2278	228	42	the	the	DET
admet-2278	228	43	training	training	NOUN
admet-2278	228	44	set	set	VERB
admet-2278	228	45	with	with	ADP
admet-2278	228	46	zero	zero	NUM
admet-2278	228	47	mobility	mobility	NOUN
admet-2278	228	48	,	,	PUNCT
admet-2278	228	49	these	these	DET
admet-2278	228	50	two	two	NUM
admet-2278	228	51	compounds	compound	NOUN
admet-2278	228	52	were	be	AUX
admet-2278	228	53	excluded	exclude	VERB
admet-2278	228	54	from	from	ADP
admet-2278	228	55	further	further	ADJ
admet-2278	228	56	analysis	analysis	NOUN
admet-2278	228	57	.	.	PUNCT
admet-2278	229	1	qsmr	qsmr	NOUN
admet-2278	229	2	models	model	NOUN
admet-2278	229	3	at	at	ADP
admet-2278	229	4	ph	ph	PROPN
admet-2278	229	5	9.1	9.1	NUM
admet-2278	229	6	were	be	AUX
admet-2278	229	7	created	create	VERB
admet-2278	229	8	with	with	ADP
admet-2278	229	9	21	21	NUM
admet-2278	229	10	compounds	compound	NOUN
admet-2278	229	11	in	in	ADP
admet-2278	229	12	the	the	DET
admet-2278	229	13	training	training	NOUN
admet-2278	229	14	set	set	NOUN
admet-2278	229	15	,	,	PUNCT
admet-2278	229	16	while	while	SCONJ
admet-2278	229	17	6	6	NUM
admet-2278	229	18	compounds	compound	NOUN
admet-2278	229	19	(	(	PUNCT
admet-2278	229	20	doxazosin	doxazosin	PROPN
admet-2278	229	21	,	,	PUNCT
admet-2278	229	22	ephedrine	ephedrine	NOUN
admet-2278	229	23	,	,	PUNCT
admet-2278	229	24	idazoxan	idazoxan	PROPN
admet-2278	229	25	,	,	PUNCT
admet-2278	229	26	olanzapine	olanzapine	PROPN
admet-2278	229	27	,	,	PUNCT
admet-2278	229	28	tizanidine	tizanidine	NOUN
admet-2278	229	29	,	,	PUNCT
admet-2278	229	30	xylometazoline	xylometazoline	PROPN
admet-2278	229	31	)	)	PUNCT
admet-2278	229	32	were	be	AUX
admet-2278	229	33	used	use	VERB
admet-2278	229	34	for	for	ADP
admet-2278	229	35	external	external	ADJ
admet-2278	229	36	validation	validation	NOUN
admet-2278	229	37	.	.	PUNCT
admet-2278	230	1	by	by	ADP
admet-2278	230	2	mlr	mlr	NOUN
admet-2278	230	3	analysis	analysis	NOUN
admet-2278	230	4	,	,	PUNCT
admet-2278	230	5	four	four	NUM
admet-2278	230	6	significant	significant	ADJ
admet-2278	230	7	molecular	molecular	ADJ
admet-2278	230	8	descriptors	descriptor	NOUN
admet-2278	230	9	were	be	AUX
admet-2278	230	10	selected	select	VERB
admet-2278	230	11	,	,	PUNCT
admet-2278	230	12	equation	equation	NOUN
admet-2278	230	13	(	(	PUNCT
admet-2278	230	14	21	21	NUM
admet-2278	230	15	):	):	PUNCT
admet-2278	230	16	mlr	mlr	NOUN
admet-2278	230	17	-	-	PUNCT
admet-2278	230	18	qsmr	qsmr	NOUN
admet-2278	230	19	(	(	PUNCT
admet-2278	230	20	µeff	µeff	NOUN
admet-2278	230	21	9.1	9.1	NUM
admet-2278	230	22	)	)	PUNCT
admet-2278	230	23	=	=	NOUN
admet-2278	230	24	60.98426	60.98426	NUM
admet-2278	230	25	15.11770×sm1_dz(z	15.11770×sm1_dz(z	NUM
admet-2278	230	26	)	)	PUNCT
admet-2278	231	1	+	+	CCONJ
admet-2278	231	2	1.00148×sm15	1.00148×sm15	NUM
admet-2278	231	3	ea(dm	ea(dm	PROPN
admet-2278	231	4	)	)	PUNCT
admet-2278	231	5	29.9053×homo[b3lyp/3	29.9053×homo[b3lyp/3	NOUN
admet-2278	231	6	-	-	SYM
admet-2278	231	7	21g(d	21g(d	PROPN
admet-2278	231	8	,	,	PUNCT
admet-2278	231	9	p	p	NOUN
admet-2278	231	10	)	)	PUNCT
admet-2278	231	11	]	]	PUNCT
admet-2278	231	12	–	–	PUNCT
admet-2278	231	13	60.3708×ish	60.3708×ish	NUM
admet-2278	231	14	(	(	PUNCT
admet-2278	231	15	21	21	NUM
admet-2278	231	16	)	)	PUNCT
admet-2278	231	17	while	while	SCONJ
admet-2278	231	18	the	the	DET
admet-2278	231	19	statistically	statistically	ADV
admet-2278	231	20	best	good	ADJ
admet-2278	231	21	pls	pls	NOUN
admet-2278	231	22	model	model	NOUN
admet-2278	231	23	was	be	AUX
admet-2278	231	24	formed	form	VERB
admet-2278	231	25	with	with	ADP
admet-2278	231	26	5	5	NUM
admet-2278	231	27	important	important	ADJ
admet-2278	231	28	molecular	molecular	ADJ
admet-2278	231	29	parameters	parameter	NOUN
admet-2278	231	30	,	,	PUNCT
admet-2278	231	31	equation	equation	NOUN
admet-2278	231	32	(	(	PUNCT
admet-2278	231	33	22	22	NUM
admet-2278	231	34	):	):	PUNCT
admet-2278	231	35	pls	pls	NOUN
admet-2278	231	36	-	-	PUNCT
admet-2278	231	37	qsmr	qsmr	NOUN
admet-2278	231	38	(	(	PUNCT
admet-2278	231	39	µeff9.1	µeff9.1	VERB
admet-2278	231	40	)	)	PUNCT
admet-2278	231	41	=	=	VERB
admet-2278	231	42	ƒ(zm1mulper	ƒ(zm1mulper	ADJ
admet-2278	231	43	;	;	PUNCT
admet-2278	231	44	aac	aac	NOUN
admet-2278	231	45	;	;	PUNCT
admet-2278	231	46	sm1_dz(z	sm1_dz(z	NUM
admet-2278	231	47	)	)	PUNCT
admet-2278	231	48	;	;	PUNCT
admet-2278	231	49	sm11_ea(dm	sm11_ea(dm	PROPN
admet-2278	231	50	)	)	PUNCT
admet-2278	231	51	;	;	PUNCT
admet-2278	231	52	ish	ish	PROPN
admet-2278	231	53	)	)	PUNCT
admet-2278	231	54	(	(	PUNCT
admet-2278	231	55	22	22	X
admet-2278	231	56	)	)	PUNCT
admet-2278	231	57	admet	admet	PROPN
admet-2278	231	58	&	&	CCONJ
admet-2278	231	59	dmpk	dmpk	PROPN
admet-2278	231	60	12(5	12(5	NUM
admet-2278	231	61	)	)	PUNCT
admet-2278	231	62	(	(	PUNCT
admet-2278	231	63	2024	2024	NUM
admet-2278	231	64	)	)	PUNCT
admet-2278	231	65	737	737	NUM
admet-2278	231	66	-	-	SYM
admet-2278	231	67	757	757	NUM
admet-2278	231	68	imidazoline	imidazoline	NOUN
admet-2278	231	69	and	and	CCONJ
admet-2278	231	70	alpha	alpha	NOUN
admet-2278	231	71	adrenergic	adrenergic	NOUN
admet-2278	231	72	receptors	receptor	NOUN
admet-2278	231	73	ligands	ligand	NOUN
admet-2278	231	74	doi	doi	NOUN
admet-2278	231	75	:	:	PUNCT
admet-2278	231	76	https://doi.org/10.5599/admet.2278	https://doi.org/10.5599/admet.2278	PROPN
admet-2278	231	77	749	749	NUM
admet-2278	231	78	appropriate	appropriate	ADJ
admet-2278	231	79	validation	validation	NOUN
admet-2278	231	80	criteria	criterion	NOUN
admet-2278	231	81	were	be	AUX
admet-2278	231	82	met	meet	VERB
admet-2278	231	83	for	for	ADP
admet-2278	231	84	both	both	DET
admet-2278	231	85	mlr	mlr	NOUN
admet-2278	231	86	-	-	PUNCT
admet-2278	231	87	qsmr	qsmr	NOUN
admet-2278	231	88	/	/	SYM
admet-2278	231	89	pls	pls	NOUN
admet-2278	231	90	-	-	PUNCT
admet-2278	231	91	qsmr	qsmr	NOUN
admet-2278	231	92	models	model	NOUN
admet-2278	231	93	created	create	VERB
admet-2278	231	94	(	(	PUNCT
admet-2278	231	95	tables	table	NOUN
admet-2278	231	96	3	3	NUM
admet-2278	231	97	and	and	CCONJ
admet-2278	231	98	4	4	NUM
admet-2278	231	99	)	)	PUNCT
admet-2278	231	100	,	,	PUNCT
admet-2278	231	101	with	with	ADP
admet-2278	231	102	the	the	DET
admet-2278	231	103	exception	exception	NOUN
admet-2278	231	104	of	of	ADP
admet-2278	231	105	the	the	DET
admet-2278	231	106	value	value	NOUN
admet-2278	231	107	(	(	PUNCT
admet-2278	231	108	r2	r2	NOUN
admet-2278	231	109	-	-	PUNCT
admet-2278	231	110	r'02)/r2	r'02)/r2	NOUN
admet-2278	231	111	0.141	0.141	NUM
admet-2278	231	112	>	>	SYM
admet-2278	231	113	0.1	0.1	NUM
admet-2278	231	114	of	of	ADP
admet-2278	231	115	the	the	DET
admet-2278	231	116	pls	pls	NOUN
admet-2278	231	117	-	-	PUNCT
admet-2278	231	118	qsmr	qsmr	NOUN
admet-2278	231	119	(	(	PUNCT
admet-2278	231	120	µeff9.1	µeff9.1	NOUN
admet-2278	231	121	)	)	PUNCT
admet-2278	231	122	model	model	NOUN
admet-2278	231	123	(	(	PUNCT
admet-2278	231	124	table	table	NOUN
admet-2278	231	125	4	4	NUM
admet-2278	231	126	)	)	PUNCT
admet-2278	231	127	.	.	PUNCT
admet-2278	232	1	due	due	ADP
admet-2278	232	2	to	to	ADP
admet-2278	232	3	the	the	DET
admet-2278	232	4	higher	high	ADJ
admet-2278	232	5	values	value	NOUN
admet-2278	232	6	of	of	ADP
admet-2278	232	7	q2	q2	NOUN
admet-2278	232	8	,	,	PUNCT
admet-2278	232	9	f	f	PROPN
admet-2278	232	10	,	,	PUNCT
admet-2278	232	11	r2	r2	PROPN
admet-2278	232	12	trening	trening	PROPN
admet-2278	232	13	,	,	PUNCT
admet-2278	232	14	r2	r2	PROPN
admet-2278	232	15	test	test	NOUN
admet-2278	232	16	(	(	PUNCT
admet-2278	232	17	q2	q2	NOUN
admet-2278	232	18	=	=	SYM
admet-2278	232	19	0.891	0.891	NUM
admet-2278	232	20	,	,	PUNCT
admet-2278	232	21	f	f	PROPN
admet-2278	232	22	=	=	SYM
admet-2278	232	23	58.736	58.736	NUM
admet-2278	232	24	,	,	PUNCT
admet-2278	232	25	r2	r2	NOUN
admet-2278	232	26	traning	traning	NOUN
admet-2278	232	27	=	=	PUNCT
admet-2278	232	28	0.936	0.936	NUM
admet-2278	232	29	and	and	CCONJ
admet-2278	232	30	r2	r2	PROPN
admet-2278	232	31	test	test	NOUN
admet-2278	232	32	=	=	NOUN
admet-2278	232	33	0.879	0.879	NUM
admet-2278	232	34	)	)	PUNCT
admet-2278	232	35	for	for	ADP
admet-2278	232	36	the	the	DET
admet-2278	232	37	mlr	mlr	NOUN
admet-2278	232	38	model	model	NOUN
admet-2278	232	39	than	than	ADP
admet-2278	232	40	for	for	ADP
admet-2278	232	41	the	the	DET
admet-2278	232	42	pls	pls	PROPN
admet-2278	232	43	model	model	NOUN
admet-2278	232	44	(	(	PUNCT
admet-2278	232	45	q2	q2	NOUN
admet-2278	232	46	=	=	PUNCT
admet-2278	232	47	0.882	0.882	NUM
admet-2278	232	48	,	,	PUNCT
admet-2278	232	49	f	f	PROPN
admet-2278	232	50	=	=	SYM
admet-2278	232	51	29.464	29.464	NUM
admet-2278	232	52	,	,	PUNCT
admet-2278	232	53	r2	r2	PROPN
admet-2278	232	54	trening	trening	NOUN
admet-2278	232	55	=	=	PUNCT
admet-2278	232	56	0.916	0.916	NUM
admet-2278	232	57	and	and	CCONJ
admet-2278	232	58	r2	r2	PROPN
admet-2278	232	59	test	test	NOUN
admet-2278	232	60	=	=	PUNCT
admet-2278	232	61	0.873	0.873	NUM
admet-2278	232	62	)	)	PUNCT
admet-2278	232	63	and	and	CCONJ
admet-2278	232	64	the	the	DET
admet-2278	232	65	lower	low	ADJ
admet-2278	232	66	rmsee	rmsee	NOUN
admet-2278	232	67	and	and	CCONJ
admet-2278	232	68	rmsep	rmsep	PROPN
admet-2278	232	69	(	(	PUNCT
admet-2278	232	70	rmsee	rmsee	ADJ
admet-2278	232	71	=	=	PROPN
admet-2278	232	72	2.640	2.640	NUM
admet-2278	232	73	and	and	CCONJ
admet-2278	232	74	rmsep	rmsep	NOUN
admet-2278	232	75	=	=	SYM
admet-2278	232	76	3.794	3.794	NUM
admet-2278	232	77	)	)	PUNCT
admet-2278	232	78	for	for	ADP
admet-2278	232	79	the	the	DET
admet-2278	232	80	mlr	mlr	NOUN
admet-2278	232	81	model	model	NOUN
admet-2278	232	82	than	than	ADP
admet-2278	232	83	for	for	ADP
admet-2278	232	84	the	the	DET
admet-2278	232	85	pls	pls	NOUN
admet-2278	232	86	model	model	NOUN
admet-2278	232	87	(	(	PUNCT
admet-2278	232	88	rmsee=3.033	rmsee=3.033	NOUN
admet-2278	232	89	and	and	CCONJ
admet-2278	232	90	rmsep	rmsep	NOUN
admet-2278	232	91	=	=	NOUN
admet-2278	232	92	4.290	4.290	NUM
admet-2278	232	93	)	)	PUNCT
admet-2278	232	94	,	,	PUNCT
admet-2278	232	95	the	the	DET
admet-2278	232	96	mlr	mlr	NOUN
admet-2278	232	97	-	-	PUNCT
admet-2278	232	98	qsmr	qsmr	NOUN
admet-2278	232	99	model	model	NOUN
admet-2278	232	100	:	:	PUNCT
admet-2278	232	101	mlr	mlr	NOUN
admet-2278	232	102	-	-	PUNCT
admet-2278	232	103	qsmr	qsmr	NOUN
admet-2278	232	104	(	(	PUNCT
admet-2278	232	105	μeff9.1	μeff9.1	NUM
admet-2278	232	106	)	)	PUNCT
admet-2278	232	107	=	=	SYM
admet-2278	232	108	ƒ(sm1_dz	ƒ(sm1_dz	PUNCT
admet-2278	232	109	(	(	PUNCT
admet-2278	232	110	z	z	NOUN
admet-2278	232	111	)	)	PUNCT
admet-2278	232	112	;	;	PUNCT
admet-2278	232	113	sm15_ea	sm15_ea	PROPN
admet-2278	232	114	(	(	PUNCT
admet-2278	232	115	dm	dm	PROPN
admet-2278	232	116	)	)	PUNCT
admet-2278	232	117	;	;	PUNCT
admet-2278	232	118	homo	homo	NOUN
admet-2278	232	119	[	[	X
admet-2278	232	120	b3lyp/3	b3lyp/3	NOUN
admet-2278	232	121	-21	-21	PROPN
admet-2278	232	122	g	g	PROPN
admet-2278	232	123	(	(	PUNCT
admet-2278	232	124	d	d	PROPN
admet-2278	232	125	,	,	PUNCT
admet-2278	232	126	p	p	NOUN
admet-2278	232	127	)	)	PUNCT
admet-2278	232	128	]	]	PUNCT
admet-2278	232	129	;	;	PUNCT
admet-2278	232	130	ish	ish	PROPN
admet-2278	232	131	)	)	PUNCT
admet-2278	232	132	was	be	AUX
admet-2278	232	133	selected	select	VERB
admet-2278	232	134	as	as	ADP
admet-2278	232	135	the	the	DET
admet-2278	232	136	optimal	optimal	ADJ
admet-2278	232	137	model	model	NOUN
admet-2278	232	138	for	for	ADP
admet-2278	232	139	predicting	predict	VERB
admet-2278	232	140	the	the	DET
admet-2278	232	141	effective	effective	ADJ
admet-2278	232	142	mobility	mobility	NOUN
admet-2278	232	143	of	of	ADP
admet-2278	232	144	related	related	ADJ
admet-2278	232	145	compounds	compound	NOUN
admet-2278	232	146	at	at	ADP
admet-2278	232	147	a	a	DET
admet-2278	232	148	given	give	VERB
admet-2278	232	149	ph	ph	NOUN
admet-2278	232	150	of	of	ADP
admet-2278	232	151	9.1	9.1	NUM
admet-2278	232	152	.	.	PUNCT
admet-2278	233	1	plots	plot	NOUN
admet-2278	233	2	of	of	ADP
admet-2278	233	3	observed	observe	VERB
admet-2278	233	4	vs.	vs.	ADP
admet-2278	233	5	predicted	predict	VERB
admet-2278	233	6	values	value	NOUN
admet-2278	233	7	for	for	ADP
admet-2278	233	8	compounds	compound	NOUN
admet-2278	233	9	in	in	ADP
admet-2278	233	10	the	the	DET
admet-2278	233	11	training	training	NOUN
admet-2278	233	12	and	and	CCONJ
admet-2278	233	13	test	test	NOUN
admet-2278	233	14	sets	set	NOUN
admet-2278	233	15	of	of	ADP
admet-2278	233	16	the	the	DET
admet-2278	233	17	selected	select	VERB
admet-2278	233	18	qsmr	qsmr	NOUN
admet-2278	233	19	models	model	NOUN
admet-2278	233	20	are	be	AUX
admet-2278	233	21	depicted	depict	VERB
admet-2278	233	22	in	in	ADP
admet-2278	233	23	figure	figure	NOUN
admet-2278	233	24	2	2	NUM
admet-2278	233	25	.	.	PUNCT
admet-2278	234	1	it	it	PRON
admet-2278	234	2	is	be	AUX
admet-2278	234	3	interesting	interesting	ADJ
admet-2278	234	4	to	to	PART
admet-2278	234	5	note	note	VERB
admet-2278	234	6	that	that	SCONJ
admet-2278	234	7	in	in	ADP
admet-2278	234	8	figure	figure	NOUN
admet-2278	234	9	2b	2b	NOUN
admet-2278	234	10	,	,	PUNCT
admet-2278	234	11	which	which	PRON
admet-2278	234	12	shows	show	VERB
admet-2278	234	13	the	the	DET
admet-2278	234	14	correlation	correlation	NOUN
admet-2278	234	15	between	between	ADP
admet-2278	234	16	the	the	DET
admet-2278	234	17	calculated	calculate	VERB
admet-2278	234	18	and	and	CCONJ
admet-2278	234	19	predicted	predict	VERB
admet-2278	234	20	values	value	NOUN
admet-2278	234	21	of	of	ADP
admet-2278	234	22	the	the	DET
admet-2278	234	23	qsmr	qsmr	NOUN
admet-2278	234	24	model	model	NOUN
admet-2278	234	25	at	at	ADP
admet-2278	234	26	ph	ph	PROPN
admet-2278	234	27	7.4	7.4	NUM
admet-2278	234	28	,	,	PUNCT
admet-2278	234	29	two	two	NUM
admet-2278	234	30	clusters	cluster	NOUN
admet-2278	234	31	of	of	ADP
admet-2278	234	32	data	datum	NOUN
admet-2278	234	33	can	can	AUX
admet-2278	234	34	be	be	AUX
admet-2278	234	35	observed	observe	VERB
admet-2278	234	36	.	.	PUNCT
admet-2278	235	1	the	the	DET
admet-2278	235	2	upper	upper	ADJ
admet-2278	235	3	cluster	cluster	NOUN
admet-2278	235	4	includes	include	VERB
admet-2278	235	5	compounds	compound	NOUN
admet-2278	235	6	whose	whose	DET
admet-2278	235	7	experimentally	experimentally	ADV
admet-2278	235	8	determined	determine	VERB
admet-2278	235	9	effective	effective	ADJ
admet-2278	235	10	mobility	mobility	NOUN
admet-2278	235	11	is	be	AUX
admet-2278	235	12	greater	great	ADJ
admet-2278	235	13	than	than	SCONJ
admet-2278	235	14	19×10	19×10	NUM
admet-2278	235	15	-	-	SYM
admet-2278	235	16	5	5	NUM
admet-2278	235	17	cm2	cm2	PROPN
admet-2278	235	18	/	/	SYM
admet-2278	235	19	v	v	NOUN
admet-2278	235	20	s	s	PART
admet-2278	235	21	and	and	CCONJ
admet-2278	235	22	experimental	experimental	ADJ
admet-2278	235	23	pka	pka	PROPN
admet-2278	235	24	value	value	NOUN
admet-2278	235	25	is	be	AUX
admet-2278	235	26	greater	great	ADJ
admet-2278	235	27	than	than	ADP
admet-2278	235	28	8	8	NUM
admet-2278	235	29	,	,	PUNCT
admet-2278	235	30	and	and	CCONJ
admet-2278	235	31	the	the	DET
admet-2278	235	32	lower	low	ADJ
admet-2278	235	33	cluster	cluster	NOUN
admet-2278	235	34	includes	include	VERB
admet-2278	235	35	compounds	compound	NOUN
admet-2278	235	36	with	with	ADP
admet-2278	235	37	experimental	experimental	ADJ
admet-2278	235	38	effective	effective	ADJ
admet-2278	235	39	mobility	mobility	NOUN
admet-2278	235	40	of	of	ADP
admet-2278	235	41	less	less	ADJ
admet-2278	235	42	than	than	ADP
admet-2278	235	43	15×10	15×10	NUM
admet-2278	235	44	-	-	SYM
admet-2278	235	45	5	5	NUM
admet-2278	235	46	cm2	cm2	NOUN
admet-2278	235	47	/	/	SYM
admet-2278	235	48	v	v	NOUN
admet-2278	235	49	s	s	PART
admet-2278	235	50	and	and	CCONJ
admet-2278	235	51	pka	pka	NOUN
admet-2278	235	52	value	value	NOUN
admet-2278	235	53	less	less	ADJ
admet-2278	235	54	than	than	ADP
admet-2278	235	55	8	8	NUM
admet-2278	235	56	(	(	PUNCT
admet-2278	235	57	table	table	NOUN
admet-2278	235	58	s1	s1	NOUN
admet-2278	235	59	and	and	CCONJ
admet-2278	235	60	s4	s4	PROPN
admet-2278	235	61	,	,	PUNCT
admet-2278	235	62	supplementary	supplementary	ADJ
admet-2278	235	63	material	material	NOUN
admet-2278	235	64	)	)	PUNCT
admet-2278	235	65	.	.	PUNCT
admet-2278	236	1	the	the	DET
admet-2278	236	2	selected	select	VERB
admet-2278	236	3	mlr	mlr	NOUN
admet-2278	236	4	-	-	PUNCT
admet-2278	236	5	qsmr	qsmr	NOUN
admet-2278	236	6	model	model	NOUN
admet-2278	236	7	could	could	AUX
admet-2278	236	8	be	be	AUX
admet-2278	236	9	used	use	VERB
admet-2278	236	10	for	for	ADP
admet-2278	236	11	a	a	DET
admet-2278	236	12	rough	rough	ADJ
admet-2278	236	13	prediction	prediction	NOUN
admet-2278	236	14	of	of	ADP
admet-2278	236	15	the	the	DET
admet-2278	236	16	pka	pka	PROPN
admet-2278	236	17	values	value	NOUN
admet-2278	236	18	of	of	ADP
admet-2278	236	19	new	new	ADJ
admet-2278	236	20	imidazoline	imidazoline	NOUN
admet-2278	236	21	analogs	analog	NOUN
admet-2278	236	22	.	.	PUNCT
admet-2278	237	1	figure	figure	NOUN
admet-2278	237	2	2	2	NUM
admet-2278	237	3	.	.	PUNCT
admet-2278	238	1	observed	observe	VERB
admet-2278	238	2	vs.	vs.	ADP
admet-2278	238	3	predicted	predict	VERB
admet-2278	238	4	values	value	NOUN
admet-2278	238	5	in	in	ADP
admet-2278	238	6	selected	select	VERB
admet-2278	238	7	qsmr	qsmr	NOUN
admet-2278	238	8	models	model	NOUN
admet-2278	238	9	:	:	PUNCT
admet-2278	238	10	a	a	DET
admet-2278	238	11	pls	pls	NOUN
admet-2278	238	12	-	-	PUNCT
admet-2278	238	13	qsmr	qsmr	NOUN
admet-2278	238	14	(	(	PUNCT
admet-2278	238	15	µeff4.4	µeff4.4	NUM
admet-2278	238	16	)	)	PUNCT
admet-2278	238	17	;	;	PUNCT
admet-2278	238	18	b	b	X
admet-2278	238	19	mlr	mlr	NOUN
admet-2278	238	20	-	-	PUNCT
admet-2278	238	21	qsmr	qsmr	NOUN
admet-2278	238	22	(	(	PUNCT
admet-2278	238	23	µeff7.4	µeff7.4	NUM
admet-2278	238	24	)	)	PUNCT
admet-2278	238	25	;	;	PUNCT
admet-2278	238	26	c	c	PROPN
admet-2278	238	27	mlr	mlr	NOUN
admet-2278	238	28	-	-	PUNCT
admet-2278	238	29	qsmr	qsmr	NOUN
admet-2278	238	30	(	(	PUNCT
admet-2278	238	31	µeff9.1	µeff9.1	VERB
admet-2278	238	32	)	)	PUNCT
admet-2278	238	33	the	the	DET
admet-2278	238	34	values	value	NOUN
admet-2278	238	35	of	of	ADP
admet-2278	238	36	the	the	DET
admet-2278	238	37	molecular	molecular	ADJ
admet-2278	238	38	descriptors	descriptor	NOUN
admet-2278	238	39	in	in	ADP
admet-2278	238	40	the	the	DET
admet-2278	238	41	selected	select	VERB
admet-2278	238	42	qsmr	qsmr	NOUN
admet-2278	238	43	models	model	NOUN
admet-2278	238	44	are	be	AUX
admet-2278	238	45	listed	list	VERB
admet-2278	238	46	in	in	ADP
admet-2278	238	47	table	table	NOUN
admet-2278	238	48	s5	s5	PROPN
admet-2278	238	49	(	(	PUNCT
admet-2278	238	50	supplementary	supplementary	ADJ
admet-2278	238	51	material	material	NOUN
admet-2278	238	52	)	)	PUNCT
admet-2278	238	53	.	.	PUNCT
admet-2278	239	1	https://doi.org/10.5599/admet.2278	https://doi.org/10.5599/admet.2278	PROPN
admet-2278	239	2	s.	s.	PROPN
admet-2278	239	3	oljacic	oljacic	VERB
admet-2278	239	4	et	et	PROPN
admet-2278	239	5	al	al	PROPN
admet-2278	239	6	.	.	PROPN
admet-2278	239	7	admet	admet	PROPN
admet-2278	239	8	&	&	CCONJ
admet-2278	239	9	dmpk	dmpk	PROPN
admet-2278	239	10	12(5	12(5	NUM
admet-2278	239	11	)	)	PUNCT
admet-2278	239	12	(	(	PUNCT
admet-2278	239	13	2024	2024	NUM
admet-2278	239	14	)	)	PUNCT
admet-2278	239	15	737	737	NUM
admet-2278	239	16	-	-	SYM
admet-2278	239	17	757	757	NUM
admet-2278	239	18	750	750	NUM
admet-2278	239	19	interpretation	interpretation	NOUN
admet-2278	239	20	and	and	CCONJ
admet-2278	239	21	comparison	comparison	NOUN
admet-2278	239	22	of	of	ADP
admet-2278	239	23	selected	select	VERB
admet-2278	239	24	quantitative	quantitative	ADJ
admet-2278	239	25	structure	structure	NOUN
admet-2278	239	26	-	-	PUNCT
admet-2278	239	27	retention	retention	NOUN
admet-2278	239	28	relationship	relationship	NOUN
admet-2278	239	29	and	and	CCONJ
admet-2278	239	30	quantitative	quantitative	ADJ
admet-2278	239	31	structure	structure	NOUN
admet-2278	239	32	-	-	PUNCT
admet-2278	239	33	mobility	mobility	NOUN
admet-2278	239	34	relationship	relationship	NOUN
admet-2278	239	35	models	model	NOUN
admet-2278	239	36	based	base	VERB
admet-2278	239	37	on	on	ADP
admet-2278	239	38	the	the	DET
admet-2278	239	39	presented	present	VERB
admet-2278	239	40	statistical	statistical	ADJ
admet-2278	239	41	results	result	NOUN
admet-2278	239	42	(	(	PUNCT
admet-2278	239	43	tables	table	NOUN
admet-2278	239	44	1	1	NUM
admet-2278	239	45	-	-	SYM
admet-2278	239	46	4	4	NUM
admet-2278	239	47	)	)	PUNCT
admet-2278	239	48	obtained	obtain	VERB
admet-2278	239	49	after	after	ADP
admet-2278	239	50	internal	internal	ADJ
admet-2278	239	51	and	and	CCONJ
admet-2278	239	52	rigorous	rigorous	ADJ
admet-2278	239	53	external	external	ADJ
admet-2278	239	54	validation	validation	NOUN
admet-2278	239	55	,	,	PUNCT
admet-2278	239	56	optimal	optimal	ADJ
admet-2278	239	57	qsrr	qsrr	NOUN
admet-2278	239	58	and	and	CCONJ
admet-2278	239	59	qsmr	qsmr	NOUN
admet-2278	239	60	models	model	NOUN
admet-2278	239	61	were	be	AUX
admet-2278	239	62	selected	select	VERB
admet-2278	239	63	for	for	ADP
admet-2278	239	64	each	each	DET
admet-2278	239	65	investigated	investigate	VERB
admet-2278	239	66	ph	ph	NOUN
admet-2278	239	67	value	value	NOUN
admet-2278	239	68	.	.	PUNCT
admet-2278	240	1	the	the	DET
admet-2278	240	2	classes	class	NOUN
admet-2278	240	3	of	of	ADP
admet-2278	240	4	descriptors	descriptor	NOUN
admet-2278	240	5	in	in	ADP
admet-2278	240	6	the	the	DET
admet-2278	240	7	selected	select	VERB
admet-2278	240	8	models	model	NOUN
admet-2278	240	9	and	and	CCONJ
admet-2278	240	10	their	their	PRON
admet-2278	240	11	descriptions	description	NOUN
admet-2278	240	12	are	be	AUX
admet-2278	240	13	presented	present	VERB
admet-2278	240	14	in	in	ADP
admet-2278	240	15	tables	table	NOUN
admet-2278	240	16	5	5	NUM
admet-2278	240	17	and	and	CCONJ
admet-2278	240	18	6	6	NUM
admet-2278	240	19	.	.	PUNCT
admet-2278	241	1	the	the	DET
admet-2278	241	2	descriptors	descriptor	NOUN
admet-2278	241	3	selected	select	VERB
admet-2278	241	4	for	for	ADP
admet-2278	241	5	the	the	DET
admet-2278	241	6	optimal	optimal	ADJ
admet-2278	241	7	pls	pls	NOUN
admet-2278	241	8	-	-	PUNCT
admet-2278	241	9	qsrr	qsrr	NOUN
admet-2278	241	10	(	(	PUNCT
admet-2278	241	11	log	log	PROPN
admet-2278	241	12	kw4.4	kw4.4	NOUN
admet-2278	241	13	)	)	PUNCT
admet-2278	241	14	model	model	NOUN
admet-2278	241	15	belong	belong	VERB
admet-2278	241	16	to	to	ADP
admet-2278	241	17	three	three	NUM
admet-2278	241	18	different	different	ADJ
admet-2278	241	19	descriptor	descriptor	NOUN
admet-2278	241	20	classes	class	NOUN
admet-2278	241	21	(	(	PUNCT
admet-2278	241	22	table	table	NOUN
admet-2278	241	23	5	5	NUM
admet-2278	241	24	)	)	PUNCT
admet-2278	241	25	,	,	PUNCT
admet-2278	241	26	such	such	ADJ
admet-2278	241	27	as	as	ADP
admet-2278	241	28	2d	2d	NUM
admet-2278	241	29	matrix	matrix	NOUN
admet-2278	241	30	-	-	PUNCT
admet-2278	241	31	based	base	VERB
admet-2278	241	32	descriptors	descriptor	NOUN
admet-2278	241	33	(	(	PUNCT
admet-2278	241	34	h_dz(p	h_dz(p	ADJ
admet-2278	241	35	)	)	PUNCT
admet-2278	241	36	,	,	PUNCT
admet-2278	241	37	ve2_dz(p	ve2_dz(p	PROPN
admet-2278	241	38	)	)	PUNCT
admet-2278	241	39	)	)	PUNCT
admet-2278	241	40	,	,	PUNCT
admet-2278	241	41	burden	burden	NOUN
admet-2278	241	42	eigenvalues	eigenvalues	PROPN
admet-2278	241	43	(	(	PUNCT
admet-2278	241	44	spmax5_bh(e	spmax5_bh(e	NOUN
admet-2278	241	45	)	)	PUNCT
admet-2278	241	46	,	,	PUNCT
admet-2278	241	47	spmax5_bh(i	spmax5_bh(i	PROPN
admet-2278	241	48	)	)	PUNCT
admet-2278	241	49	)	)	PUNCT
admet-2278	241	50	and	and	CCONJ
admet-2278	241	51	edge	edge	NOUN
admet-2278	241	52	adjacency	adjacency	NOUN
admet-2278	241	53	indices	index	NOUN
admet-2278	241	54	(	(	PUNCT
admet-2278	241	55	sm02_ea(ri	sm02_ea(ri	NOUN
admet-2278	241	56	)	)	PUNCT
admet-2278	241	57	,	,	PUNCT
admet-2278	241	58	sm04_ea(ri	sm04_ea(ri	NOUN
admet-2278	241	59	)	)	PUNCT
admet-2278	241	60	)	)	PUNCT
admet-2278	241	61	.	.	PUNCT
admet-2278	242	1	table	table	NOUN
admet-2278	242	2	5	5	NUM
admet-2278	242	3	.	.	PUNCT
admet-2278	243	1	the	the	DET
admet-2278	243	2	most	most	ADV
admet-2278	243	3	important	important	ADJ
admet-2278	243	4	descriptors	descriptor	NOUN
admet-2278	243	5	in	in	ADP
admet-2278	243	6	selected	select	VERB
admet-2278	243	7	qsrr	qsrr	NOUN
admet-2278	243	8	models	model	NOUN
admet-2278	243	9	selected	select	VERB
admet-2278	243	10	descriptors	descriptor	NOUN
admet-2278	243	11	description	description	NOUN
admet-2278	243	12	class	class	NOUN
admet-2278	243	13	of	of	ADP
admet-2278	243	14	descriptors	descriptor	NOUN
admet-2278	243	15	h_dz(p	h_dz(p	ADV
admet-2278	243	16	)	)	PUNCT
admet-2278	243	17	harary	harary	NOUN
admet-2278	243	18	-	-	PUNCT
admet-2278	243	19	like	like	ADJ
admet-2278	243	20	index	index	NOUN
admet-2278	243	21	from	from	ADP
admet-2278	243	22	barysz	barysz	NOUN
admet-2278	243	23	matrix	matrix	NOUN
admet-2278	243	24	weighted	weight	VERB
admet-2278	243	25	by	by	ADP
admet-2278	243	26	polarizability	polarizability	NOUN
admet-2278	243	27	2d	2d	NUM
admet-2278	243	28	matrix	matrix	NOUN
admet-2278	243	29	-	-	PUNCT
admet-2278	243	30	based	base	VERB
admet-2278	243	31	descriptors	descriptor	NOUN
admet-2278	243	32	ve2_dz(p	ve2_dz(p	NOUN
admet-2278	243	33	)	)	PUNCT
admet-2278	243	34	average	average	ADJ
admet-2278	243	35	coefficient	coefficient	NOUN
admet-2278	243	36	of	of	ADP
admet-2278	243	37	the	the	DET
admet-2278	243	38	last	last	ADJ
admet-2278	243	39	eigenvector	eigenvector	NOUN
admet-2278	243	40	from	from	ADP
admet-2278	243	41	barysz	barysz	NOUN
admet-2278	243	42	matrix	matrix	NOUN
admet-2278	243	43	weighted	weight	VERB
admet-2278	243	44	by	by	ADP
admet-2278	243	45	polarizability	polarizability	NOUN
admet-2278	243	46	2d	2d	NUM
admet-2278	243	47	matrix	matrix	NOUN
admet-2278	243	48	-	-	PUNCT
admet-2278	243	49	based	base	VERB
admet-2278	243	50	descriptors	descriptors	PROPN
admet-2278	243	51	spmax5_bh(e	spmax5_bh(e	PROPN
admet-2278	243	52	)	)	PUNCT
admet-2278	243	53	largest	large	ADJ
admet-2278	243	54	eigenvalue	eigenvalue	ADJ
admet-2278	243	55	n.	n.	NOUN
admet-2278	243	56	5	5	NUM
admet-2278	243	57	of	of	ADP
admet-2278	243	58	burden	burden	NOUN
admet-2278	243	59	matrix	matrix	NOUN
admet-2278	243	60	weighted	weight	VERB
admet-2278	243	61	by	by	ADP
admet-2278	243	62	sanderson	sanderson	PROPN
admet-2278	243	63	electronegativity	electronegativity	PROPN
admet-2278	243	64	burden	burden	NOUN
admet-2278	243	65	eigenvalues	eigenvalue	VERB
admet-2278	243	66	spmax5_bh(i	spmax5_bh(i	PROPN
admet-2278	243	67	)	)	PUNCT
admet-2278	243	68	largest	large	ADJ
admet-2278	243	69	eigenvalue	eigenvalue	ADJ
admet-2278	243	70	n.	n.	NOUN
admet-2278	243	71	5	5	NUM
admet-2278	243	72	of	of	ADP
admet-2278	243	73	burden	burden	NOUN
admet-2278	243	74	matrix	matrix	NOUN
admet-2278	243	75	weighted	weight	VERB
admet-2278	243	76	by	by	ADP
admet-2278	243	77	ionization	ionization	NOUN
admet-2278	243	78	potential	potential	ADJ
admet-2278	243	79	burden	burden	NOUN
admet-2278	243	80	eigenvalues	eigenvalue	VERB
admet-2278	243	81	sm02_ea(ri	sm02_ea(ri	NOUN
admet-2278	243	82	)	)	PUNCT
admet-2278	243	83	spectral	spectral	ADJ
admet-2278	243	84	moments	moment	NOUN
admet-2278	243	85	of	of	ADP
admet-2278	243	86	order	order	NOUN
admet-2278	243	87	2	2	NUM
admet-2278	243	88	from	from	ADP
admet-2278	243	89	edge	edge	NOUN
admet-2278	243	90	adjacency	adjacency	PROPN
admet-2278	243	91	mat	mat	PROPN
admet-2278	243	92	.	.	PROPN
admet-2278	243	93	weighted	weight	VERB
admet-2278	243	94	by	by	ADP
admet-2278	243	95	resonance	resonance	NOUN
admet-2278	243	96	integral	integral	ADJ
admet-2278	243	97	edge	edge	NOUN
admet-2278	243	98	adjacency	adjacency	NOUN
admet-2278	243	99	indices	index	NOUN
admet-2278	243	100	sm04_ea(ri	sm04_ea(ri	NOUN
admet-2278	243	101	)	)	PUNCT
admet-2278	243	102	spectral	spectral	ADJ
admet-2278	243	103	moments	moment	NOUN
admet-2278	243	104	of	of	ADP
admet-2278	243	105	order	order	NOUN
admet-2278	243	106	4	4	NUM
admet-2278	243	107	from	from	ADP
admet-2278	243	108	edge	edge	NOUN
admet-2278	243	109	adjacency	adjacency	PROPN
admet-2278	243	110	mat	mat	PROPN
admet-2278	243	111	.	.	PROPN
admet-2278	243	112	weighted	weight	VERB
admet-2278	243	113	by	by	ADP
admet-2278	243	114	resonance	resonance	NOUN
admet-2278	243	115	integral	integral	ADJ
admet-2278	243	116	edge	edge	NOUN
admet-2278	243	117	adjacency	adjacency	NOUN
admet-2278	243	118	indices	indice	VERB
admet-2278	243	119	ho_dt	ho_dt	PROPN
admet-2278	243	120	hosoya	hosoya	NOUN
admet-2278	243	121	-	-	PUNCT
admet-2278	243	122	like	like	ADJ
admet-2278	243	123	index	index	NOUN
admet-2278	243	124	(	(	PUNCT
admet-2278	243	125	log	log	NOUN
admet-2278	243	126	function	function	NOUN
admet-2278	243	127	)	)	PUNCT
admet-2278	243	128	from	from	ADP
admet-2278	243	129	detour	detour	NOUN
admet-2278	243	130	matrix	matrix	NOUN
admet-2278	243	131	2d	2d	NUM
admet-2278	243	132	matrix	matrix	NOUN
admet-2278	243	133	-	-	PUNCT
admet-2278	243	134	based	base	VERB
admet-2278	243	135	descriptors	descriptor	NOUN
admet-2278	243	136	sm3_dt	sm3_dt	VERB
admet-2278	243	137	spectral	spectral	ADJ
admet-2278	243	138	moment	moment	NOUN
admet-2278	243	139	of	of	ADP
admet-2278	243	140	order	order	NOUN
admet-2278	243	141	3	3	NUM
admet-2278	243	142	from	from	ADP
admet-2278	243	143	detour	detour	NOUN
admet-2278	243	144	matrix	matrix	NOUN
admet-2278	243	145	2d	2d	NUM
admet-2278	243	146	matrix	matrix	NOUN
admet-2278	243	147	-	-	PUNCT
admet-2278	243	148	based	base	VERB
admet-2278	243	149	descriptors	descriptor	NOUN
admet-2278	243	150	ve2_dt	ve2_dt	PROPN
admet-2278	243	151	average	average	ADJ
admet-2278	243	152	coefficient	coefficient	NOUN
admet-2278	243	153	of	of	ADP
admet-2278	243	154	the	the	DET
admet-2278	243	155	last	last	ADJ
admet-2278	243	156	eigenvector	eigenvector	NOUN
admet-2278	243	157	from	from	ADP
admet-2278	243	158	detour	detour	NOUN
admet-2278	243	159	matrix	matrix	NOUN
admet-2278	243	160	2d	2d	NUM
admet-2278	243	161	matrix	matrix	NOUN
admet-2278	243	162	-	-	PUNCT
admet-2278	243	163	based	base	VERB
admet-2278	243	164	descriptors	descriptor	NOUN
admet-2278	243	165	h_d	h_d	PART
admet-2278	243	166	/	/	SYM
admet-2278	243	167	dt	dt	NOUN
admet-2278	243	168	harary	harary	NOUN
admet-2278	243	169	-	-	PUNCT
admet-2278	243	170	like	like	ADJ
admet-2278	243	171	index	index	NOUN
admet-2278	243	172	from	from	ADP
admet-2278	243	173	distance	distance	NOUN
admet-2278	243	174	/	/	SYM
admet-2278	243	175	detour	detour	NOUN
admet-2278	243	176	matrix	matrix	NOUN
admet-2278	243	177	2d	2d	NUM
admet-2278	243	178	matrix	matrix	NOUN
admet-2278	243	179	-	-	PUNCT
admet-2278	243	180	based	base	VERB
admet-2278	243	181	descriptors	descriptor	NOUN
admet-2278	243	182	log	log	VERB
admet-2278	244	1	d7.4	d7.4	NOUN
admet-2278	244	2	logarithm	logarithm	NOUN
admet-2278	244	3	of	of	ADP
admet-2278	244	4	distribution	distribution	NOUN
admet-2278	244	5	coefficient	coefficient	NOUN
admet-2278	244	6	at	at	ADP
admet-2278	244	7	ph	ph	PROPN
admet-2278	244	8	7.4	7.4	NUM
admet-2278	244	9	molecular	molecular	ADJ
admet-2278	244	10	properties	property	NOUN
admet-2278	244	11	nbm	nbm	PROPN
admet-2278	244	12	number	number	NOUN
admet-2278	244	13	of	of	ADP
admet-2278	244	14	multiple	multiple	ADJ
admet-2278	244	15	bonds	bond	NOUN
admet-2278	244	16	constitutional	constitutional	ADJ
admet-2278	244	17	indices	index	NOUN
admet-2278	244	18	spmin6_bh(p	spmin6_bh(p	PROPN
admet-2278	244	19	)	)	PUNCT
admet-2278	244	20	smallest	small	ADJ
admet-2278	244	21	eigenvalue	eigenvalue	NOUN
admet-2278	244	22	n.	n.	NOUN
admet-2278	244	23	6	6	NUM
admet-2278	244	24	of	of	ADP
admet-2278	244	25	burden	burden	NOUN
admet-2278	244	26	matrix	matrix	NOUN
admet-2278	244	27	weighted	weight	VERB
admet-2278	244	28	by	by	ADP
admet-2278	244	29	polarizability	polarizability	NOUN
admet-2278	244	30	burden	burden	NOUN
admet-2278	244	31	eigenvalues	eigenvalue	VERB
admet-2278	244	32	log	log	NOUN
admet-2278	244	33	d9.1	d9.1	PROPN
admet-2278	244	34	logarithm	logarithm	NOUN
admet-2278	244	35	of	of	ADP
admet-2278	244	36	distribution	distribution	NOUN
admet-2278	244	37	coefficient	coefficient	NOUN
admet-2278	244	38	at	at	ADP
admet-2278	244	39	ph	ph	PROPN
admet-2278	244	40	9.1	9.1	NUM
admet-2278	244	41	molecular	molecular	ADJ
admet-2278	244	42	properties	property	NOUN
admet-2278	244	43	the	the	DET
admet-2278	244	44	coefficient	coefficient	NOUN
admet-2278	244	45	plot	plot	NOUN
admet-2278	244	46	(	(	PUNCT
admet-2278	244	47	figure	figure	NOUN
admet-2278	244	48	3	3	NUM
admet-2278	244	49	)	)	PUNCT
admet-2278	244	50	shows	show	VERB
admet-2278	244	51	that	that	SCONJ
admet-2278	244	52	all	all	DET
admet-2278	244	53	descriptors	descriptor	NOUN
admet-2278	244	54	have	have	VERB
admet-2278	244	55	a	a	DET
admet-2278	244	56	positive	positive	ADJ
admet-2278	244	57	influence	influence	NOUN
admet-2278	244	58	,	,	PUNCT
admet-2278	244	59	with	with	ADP
admet-2278	244	60	the	the	DET
admet-2278	244	61	exception	exception	NOUN
admet-2278	244	62	of	of	ADP
admet-2278	244	63	ve2_dz(p	ve2_dz(p	NOUN
admet-2278	244	64	)	)	PUNCT
admet-2278	244	65	,	,	PUNCT
admet-2278	244	66	which	which	PRON
admet-2278	244	67	has	have	VERB
admet-2278	244	68	a	a	DET
admet-2278	244	69	negative	negative	ADJ
admet-2278	244	70	influence	influence	NOUN
admet-2278	244	71	on	on	ADP
admet-2278	244	72	the	the	DET
admet-2278	244	73	log	log	NOUN
admet-2278	244	74	kw4.4	kw4.4	NOUN
admet-2278	244	75	value	value	NOUN
admet-2278	244	76	.	.	PUNCT
admet-2278	245	1	figure	figure	NOUN
admet-2278	245	2	3	3	NUM
admet-2278	245	3	.	.	PUNCT
admet-2278	246	1	coefficient	coefficient	NOUN
admet-2278	246	2	plot	plot	NOUN
admet-2278	246	3	of	of	ADP
admet-2278	246	4	descriptors	descriptor	NOUN
admet-2278	246	5	in	in	ADP
admet-2278	246	6	pls	pls	NOUN
admet-2278	246	7	-	-	PUNCT
admet-2278	246	8	qsrr	qsrr	NOUN
admet-2278	246	9	(	(	PUNCT
admet-2278	246	10	log	log	NOUN
admet-2278	246	11	kw4.4	kw4.4	NOUN
admet-2278	246	12	)	)	PUNCT
admet-2278	246	13	model	model	NOUN
admet-2278	246	14	.	.	PUNCT
admet-2278	247	1	admet	admet	PROPN
admet-2278	247	2	&	&	CCONJ
admet-2278	247	3	dmpk	dmpk	PROPN
admet-2278	247	4	12(5	12(5	NUM
admet-2278	247	5	)	)	PUNCT
admet-2278	247	6	(	(	PUNCT
admet-2278	247	7	2024	2024	NUM
admet-2278	247	8	)	)	PUNCT
admet-2278	247	9	737	737	NUM
admet-2278	247	10	-	-	SYM
admet-2278	247	11	757	757	NUM
admet-2278	247	12	imidazoline	imidazoline	NOUN
admet-2278	247	13	and	and	CCONJ
admet-2278	247	14	alpha	alpha	NOUN
admet-2278	247	15	adrenergic	adrenergic	NOUN
admet-2278	247	16	receptors	receptor	NOUN
admet-2278	247	17	ligands	ligand	NOUN
admet-2278	247	18	doi	doi	NOUN
admet-2278	247	19	:	:	PUNCT
admet-2278	247	20	https://doi.org/10.5599/admet.2278	https://doi.org/10.5599/admet.2278	PROPN
admet-2278	247	21	751	751	NUM
admet-2278	247	22	2d	2d	NUM
admet-2278	247	23	matrix	matrix	NOUN
admet-2278	247	24	-	-	PUNCT
admet-2278	247	25	based	base	VERB
admet-2278	247	26	descriptors	descriptor	NOUN
admet-2278	247	27	are	be	AUX
admet-2278	247	28	topological	topological	ADJ
admet-2278	247	29	indices	index	NOUN
admet-2278	247	30	computed	compute	VERB
admet-2278	247	31	by	by	ADP
admet-2278	247	32	applying	apply	VERB
admet-2278	247	33	a	a	DET
admet-2278	247	34	set	set	NOUN
admet-2278	247	35	of	of	ADP
admet-2278	247	36	basic	basic	ADJ
admet-2278	247	37	algebraic	algebraic	ADJ
admet-2278	247	38	operators	operator	NOUN
admet-2278	247	39	to	to	ADP
admet-2278	247	40	different	different	ADJ
admet-2278	247	41	graph	graph	NOUN
admet-2278	247	42	-	-	PUNCT
admet-2278	247	43	theoretical	theoretical	ADJ
admet-2278	247	44	matrices	matrix	NOUN
admet-2278	247	45	representing	represent	VERB
admet-2278	247	46	an	an	DET
admet-2278	247	47	h	h	NOUN
admet-2278	247	48	-	-	PUNCT
admet-2278	247	49	depleted	deplete	VERB
admet-2278	247	50	molecular	molecular	ADJ
admet-2278	247	51	graph	graph	NOUN
admet-2278	247	52	[	[	X
admet-2278	247	53	29	29	NUM
admet-2278	247	54	]	]	PUNCT
admet-2278	247	55	.	.	PUNCT
admet-2278	248	1	depending	depend	VERB
admet-2278	248	2	on	on	ADP
admet-2278	248	3	which	which	DET
admet-2278	248	4	matrix	matrix	NOUN
admet-2278	248	5	they	they	PRON
admet-2278	248	6	are	be	AUX
admet-2278	248	7	derived	derive	VERB
admet-2278	248	8	from	from	ADP
admet-2278	248	9	(	(	PUNCT
admet-2278	248	10	detour	detour	NOUN
admet-2278	248	11	matrix	matrix	NOUN
admet-2278	248	12	dt	dt	NOUN
admet-2278	248	13	,	,	PUNCT
admet-2278	248	14	barysz	barysz	NOUN
admet-2278	248	15	matrices	matrix	NOUN
admet-2278	248	16	(	(	PUNCT
admet-2278	248	17	dz(w	dz(w	NOUN
admet-2278	248	18	)	)	PUNCT
admet-2278	248	19	)	)	PUNCT
admet-2278	248	20	,	,	PUNCT
admet-2278	248	21	etc	etc	X
admet-2278	248	22	.	.	X
admet-2278	248	23	)	)	PUNCT
admet-2278	248	24	,	,	PUNCT
admet-2278	248	25	they	they	PRON
admet-2278	248	26	can	can	AUX
admet-2278	248	27	be	be	AUX
admet-2278	248	28	divided	divide	VERB
admet-2278	248	29	into	into	ADP
admet-2278	248	30	different	different	ADJ
admet-2278	248	31	sub	sub	NOUN
admet-2278	248	32	-	-	NOUN
admet-2278	248	33	blocks	block	NOUN
admet-2278	248	34	.	.	PUNCT
admet-2278	249	1	h_dz(p	h_dz(p	ADV
admet-2278	249	2	)	)	PUNCT
admet-2278	249	3	(	(	PUNCT
admet-2278	249	4	harary	harary	NOUN
admet-2278	249	5	-	-	PUNCT
admet-2278	249	6	like	like	ADJ
admet-2278	249	7	index	index	NOUN
admet-2278	249	8	from	from	ADP
admet-2278	249	9	barysz	barysz	NOUN
admet-2278	249	10	matrix	matrix	NOUN
admet-2278	249	11	weighted	weight	VERB
admet-2278	249	12	by	by	ADP
admet-2278	249	13	polarizability	polarizability	NOUN
admet-2278	249	14	)	)	PUNCT
admet-2278	249	15	and	and	CCONJ
admet-2278	249	16	ve2_dz(p	ve2_dz(p	PROPN
admet-2278	249	17	)	)	PUNCT
admet-2278	249	18	(	(	PUNCT
admet-2278	249	19	average	average	ADJ
admet-2278	249	20	coefficient	coefficient	NOUN
admet-2278	249	21	of	of	ADP
admet-2278	249	22	the	the	DET
admet-2278	249	23	last	last	ADJ
admet-2278	249	24	eigenvector	eigenvector	NOUN
admet-2278	249	25	from	from	ADP
admet-2278	249	26	the	the	DET
admet-2278	249	27	barysz	barysz	NOUN
admet-2278	249	28	matrix	matrix	NOUN
admet-2278	249	29	weighted	weight	VERB
admet-2278	249	30	by	by	ADP
admet-2278	249	31	polarizability	polarizability	NOUN
admet-2278	249	32	)	)	PUNCT
admet-2278	249	33	are	be	AUX
admet-2278	249	34	derived	derive	VERB
admet-2278	249	35	from	from	ADP
admet-2278	249	36	the	the	DET
admet-2278	249	37	barysz	barysz	NOUN
admet-2278	249	38	matrices	matrix	NOUN
admet-2278	249	39	.	.	PUNCT
admet-2278	250	1	barysz	barysz	NOUN
admet-2278	250	2	matrices	matrix	NOUN
admet-2278	250	3	(	(	PUNCT
admet-2278	250	4	dz(w	dz(w	NOUN
admet-2278	250	5	)	)	PUNCT
admet-2278	250	6	)	)	PUNCT
admet-2278	250	7	are	be	AUX
admet-2278	250	8	weighted	weight	VERB
admet-2278	250	9	distance	distance	NOUN
admet-2278	250	10	matrices	matrix	NOUN
admet-2278	250	11	that	that	PRON
admet-2278	250	12	take	take	VERB
admet-2278	250	13	into	into	ADP
admet-2278	250	14	account	account	NOUN
admet-2278	250	15	the	the	DET
admet-2278	250	16	presence	presence	NOUN
admet-2278	250	17	of	of	ADP
admet-2278	250	18	heteroatoms	heteroatom	NOUN
admet-2278	250	19	and	and	CCONJ
admet-2278	250	20	multiple	multiple	ADJ
admet-2278	250	21	bonds	bond	NOUN
admet-2278	250	22	in	in	ADP
admet-2278	250	23	the	the	DET
admet-2278	250	24	molecule	molecule	NOUN
admet-2278	250	25	.	.	PUNCT
admet-2278	251	1	polarizability	polarizability	NOUN
admet-2278	251	2	is	be	AUX
admet-2278	251	3	an	an	DET
admet-2278	251	4	important	important	ADJ
admet-2278	251	5	atomic	atomic	ADJ
admet-2278	251	6	property	property	NOUN
admet-2278	251	7	included	include	VERB
admet-2278	251	8	in	in	ADP
admet-2278	251	9	both	both	CCONJ
admet-2278	251	10	the	the	DET
admet-2278	251	11	ve2_dz(p	ve2_dz(p	NOUN
admet-2278	251	12	)	)	PUNCT
admet-2278	251	13	and	and	CCONJ
admet-2278	251	14	h_dz(p	h_dz(p	ADJ
admet-2278	251	15	)	)	PUNCT
admet-2278	251	16	descriptors	descriptor	NOUN
admet-2278	251	17	,	,	PUNCT
admet-2278	251	18	which	which	PRON
admet-2278	251	19	differ	differ	VERB
admet-2278	251	20	in	in	ADP
admet-2278	251	21	their	their	PRON
admet-2278	251	22	influence	influence	NOUN
admet-2278	251	23	on	on	ADP
admet-2278	251	24	log	log	PROPN
admet-2278	251	25	kw4.4	kw4.4	PROPN
admet-2278	251	26	.	.	PUNCT
admet-2278	252	1	higher	high	ADJ
admet-2278	252	2	values	value	NOUN
admet-2278	252	3	of	of	ADP
admet-2278	252	4	ve2_dz(p	ve2_dz(p	NOUN
admet-2278	252	5	)	)	PUNCT
admet-2278	252	6	are	be	AUX
admet-2278	252	7	associated	associate	VERB
admet-2278	252	8	with	with	ADP
admet-2278	252	9	less	less	ADJ
admet-2278	252	10	lipophilic	lipophilic	ADJ
admet-2278	252	11	compounds	compound	NOUN
admet-2278	252	12	in	in	ADP
admet-2278	252	13	the	the	DET
admet-2278	252	14	studied	studied	ADJ
admet-2278	252	15	group	group	NOUN
admet-2278	252	16	that	that	PRON
admet-2278	252	17	have	have	VERB
admet-2278	252	18	lower	low	ADJ
admet-2278	252	19	log	log	NOUN
admet-2278	252	20	kw4.4	kw4.4	NOUN
admet-2278	252	21	values	value	NOUN
admet-2278	252	22	(	(	PUNCT
admet-2278	252	23	ephedrine	ephedrine	NOUN
admet-2278	252	24	,	,	PUNCT
admet-2278	252	25	rilmenidine	rilmenidine	NOUN
admet-2278	252	26	)	)	PUNCT
admet-2278	252	27	,	,	PUNCT
admet-2278	252	28	while	while	SCONJ
admet-2278	252	29	lower	low	ADJ
admet-2278	252	30	values	value	NOUN
admet-2278	252	31	are	be	AUX
admet-2278	252	32	seen	see	VERB
admet-2278	252	33	for	for	ADP
admet-2278	252	34	the	the	DET
admet-2278	252	35	structures	structure	NOUN
admet-2278	252	36	of	of	ADP
admet-2278	252	37	carvedilol	carvedilol	NOUN
admet-2278	252	38	,	,	PUNCT
admet-2278	252	39	clozapine	clozapine	NOUN
admet-2278	252	40	and	and	CCONJ
admet-2278	252	41	maprotiline	maprotiline	VERB
admet-2278	252	42	with	with	ADP
admet-2278	252	43	the	the	DET
admet-2278	252	44	highest	high	ADJ
admet-2278	252	45	log	log	NOUN
admet-2278	252	46	kw4.4	kw4.4	NOUN
admet-2278	252	47	values	value	NOUN
admet-2278	252	48	.	.	PUNCT
admet-2278	253	1	the	the	DET
admet-2278	253	2	opposite	opposite	ADJ
admet-2278	253	3	effect	effect	NOUN
admet-2278	253	4	can	can	AUX
admet-2278	253	5	be	be	AUX
admet-2278	253	6	observed	observe	VERB
admet-2278	253	7	for	for	ADP
admet-2278	253	8	h_dz(p	h_dz(p	PROPN
admet-2278	253	9	)	)	PUNCT
admet-2278	253	10	.	.	PUNCT
admet-2278	254	1	spmax5_bh(e	spmax5_bh(e	PROPN
admet-2278	254	2	)	)	PUNCT
admet-2278	254	3	and	and	CCONJ
admet-2278	254	4	spmax5_bh(i	spmax5_bh(i	PROPN
admet-2278	254	5	)	)	PUNCT
admet-2278	254	6	are	be	AUX
admet-2278	254	7	the	the	DET
admet-2278	254	8	largest	large	ADJ
admet-2278	254	9	eigenvalue	eigenvalue	ADJ
admet-2278	254	10	n.	n.	NOUN
admet-2278	254	11	5	5	NUM
admet-2278	254	12	of	of	ADP
admet-2278	254	13	the	the	DET
admet-2278	254	14	burden	burden	NOUN
admet-2278	254	15	matrix	matrix	NOUN
admet-2278	254	16	weighted	weight	VERB
admet-2278	254	17	by	by	ADP
admet-2278	254	18	sanderson	sanderson	PROPN
admet-2278	254	19	electronegativity	electronegativity	PROPN
admet-2278	254	20	and	and	CCONJ
admet-2278	254	21	ionization	ionization	NOUN
admet-2278	254	22	potential	potential	NOUN
admet-2278	254	23	,	,	PUNCT
admet-2278	254	24	respectively	respectively	ADV
admet-2278	254	25	.	.	PUNCT
admet-2278	255	1	burden	burden	NOUN
admet-2278	255	2	eigenvalues	eigenvalue	NOUN
admet-2278	255	3	descriptors	descriptor	NOUN
admet-2278	255	4	were	be	AUX
admet-2278	255	5	originally	originally	ADV
admet-2278	255	6	proposed	propose	VERB
admet-2278	255	7	for	for	ADP
admet-2278	255	8	searching	search	VERB
admet-2278	255	9	for	for	ADP
admet-2278	255	10	chemical	chemical	ADJ
admet-2278	255	11	similarity	similarity	NOUN
admet-2278	255	12	/	/	SYM
admet-2278	255	13	diversity	diversity	NOUN
admet-2278	255	14	in	in	ADP
admet-2278	255	15	large	large	ADJ
admet-2278	255	16	databases	database	NOUN
admet-2278	255	17	.	.	PUNCT
admet-2278	256	1	they	they	PRON
admet-2278	256	2	are	be	AUX
admet-2278	256	3	calculated	calculate	VERB
admet-2278	256	4	from	from	ADP
admet-2278	256	5	the	the	DET
admet-2278	256	6	burden	burden	NOUN
admet-2278	256	7	matrix	matrix	NOUN
admet-2278	256	8	as	as	ADP
admet-2278	256	9	an	an	DET
admet-2278	256	10	ordered	order	VERB
admet-2278	256	11	sequence	sequence	NOUN
admet-2278	256	12	of	of	ADP
admet-2278	256	13	the	the	DET
admet-2278	256	14	largest	large	ADJ
admet-2278	256	15	positive	positive	ADJ
admet-2278	256	16	and	and	CCONJ
admet-2278	256	17	smallest	small	ADJ
admet-2278	256	18	negative	negative	ADJ
admet-2278	256	19	eigenvalues	eigenvalue	NOUN
admet-2278	256	20	that	that	PRON
admet-2278	256	21	reflect	reflect	VERB
admet-2278	256	22	relevant	relevant	ADJ
admet-2278	256	23	aspects	aspect	NOUN
admet-2278	256	24	of	of	ADP
admet-2278	256	25	molecular	molecular	ADJ
admet-2278	256	26	structure	structure	NOUN
admet-2278	256	27	and	and	CCONJ
admet-2278	256	28	can	can	AUX
admet-2278	256	29	be	be	AUX
admet-2278	256	30	useful	useful	ADJ
admet-2278	256	31	for	for	ADP
admet-2278	256	32	similarity	similarity	NOUN
admet-2278	256	33	searches	search	NOUN
admet-2278	256	34	[	[	X
admet-2278	256	35	29,39	29,39	X
admet-2278	256	36	]	]	X
admet-2278	256	37	.	.	PUNCT
admet-2278	257	1	sm02_ea(ri	sm02_ea(ri	NOUN
admet-2278	257	2	)	)	PUNCT
admet-2278	257	3	and	and	CCONJ
admet-2278	257	4	sm04_ea(ri	sm04_ea(ri	NUM
admet-2278	257	5	)	)	PUNCT
admet-2278	257	6	(	(	PUNCT
admet-2278	257	7	spectral	spectral	ADJ
admet-2278	257	8	moments	moment	NOUN
admet-2278	257	9	of	of	ADP
admet-2278	257	10	order	order	NOUN
admet-2278	257	11	2	2	NUM
admet-2278	257	12	and	and	CCONJ
admet-2278	257	13	4	4	NUM
admet-2278	257	14	from	from	ADP
admet-2278	257	15	edge	edge	NOUN
admet-2278	257	16	adjacency	adjacency	PROPN
admet-2278	257	17	mat	mat	PROPN
admet-2278	257	18	.	.	PROPN
admet-2278	257	19	weighted	weight	VERB
admet-2278	257	20	by	by	ADP
admet-2278	257	21	resonance	resonance	NOUN
admet-2278	257	22	integral	integral	ADJ
admet-2278	257	23	)	)	PUNCT
admet-2278	257	24	belong	belong	VERB
admet-2278	257	25	to	to	ADP
admet-2278	257	26	the	the	DET
admet-2278	257	27	edge	edge	NOUN
admet-2278	257	28	adjacency	adjacency	NOUN
admet-2278	257	29	indices	index	NOUN
admet-2278	257	30	descriptors	descriptor	NOUN
admet-2278	257	31	.	.	PUNCT
admet-2278	258	1	these	these	DET
admet-2278	258	2	indices	index	NOUN
admet-2278	258	3	are	be	AUX
admet-2278	258	4	based	base	VERB
admet-2278	258	5	on	on	ADP
admet-2278	258	6	the	the	DET
admet-2278	258	7	edge	edge	NOUN
admet-2278	258	8	adjacency	adjacency	NOUN
admet-2278	258	9	matrix	matrix	NOUN
admet-2278	258	10	of	of	ADP
admet-2278	258	11	a	a	DET
admet-2278	258	12	graph	graph	NOUN
admet-2278	258	13	.	.	PUNCT
admet-2278	259	1	they	they	PRON
admet-2278	259	2	encode	encode	VERB
admet-2278	259	3	information	information	NOUN
admet-2278	259	4	about	about	ADP
admet-2278	259	5	the	the	DET
admet-2278	259	6	connectivity	connectivity	NOUN
admet-2278	259	7	between	between	ADP
admet-2278	259	8	graph	graph	NOUN
admet-2278	259	9	edges	edge	NOUN
admet-2278	259	10	,	,	PUNCT
admet-2278	259	11	taking	take	VERB
admet-2278	259	12	into	into	ADP
admet-2278	259	13	account	account	NOUN
admet-2278	259	14	bonds	bond	NOUN
admet-2278	259	15	between	between	ADP
admet-2278	259	16	non	non	ADJ
admet-2278	259	17	-	-	ADJ
admet-2278	259	18	hydrogen	hydrogen	ADJ
admet-2278	259	19	atom	atom	NOUN
admet-2278	259	20	pairs	pair	NOUN
admet-2278	259	21	.	.	PUNCT
admet-2278	260	1	dragon	dragon	NOUN
admet-2278	260	2	calculates	calculate	VERB
admet-2278	260	3	the	the	DET
admet-2278	260	4	edge	edge	NOUN
admet-2278	260	5	adjacency	adjacency	NOUN
admet-2278	260	6	matrices	matrix	NOUN
admet-2278	260	7	using	use	VERB
admet-2278	260	8	the	the	DET
admet-2278	260	9	following	follow	VERB
admet-2278	260	10	bond	bond	NOUN
admet-2278	260	11	properties	property	NOUN
admet-2278	260	12	:	:	PUNCT
admet-2278	260	13	edge	edge	NOUN
admet-2278	260	14	degree	degree	NOUN
admet-2278	260	15	(	(	PUNCT
admet-2278	260	16	ed	ed	NOUN
admet-2278	260	17	)	)	PUNCT
admet-2278	260	18	,	,	PUNCT
admet-2278	260	19	dipole	dipole	NOUN
admet-2278	260	20	moment	moment	NOUN
admet-2278	260	21	(	(	PUNCT
admet-2278	260	22	dm	dm	NOUN
admet-2278	260	23	)	)	PUNCT
admet-2278	260	24	,	,	PUNCT
admet-2278	260	25	conventional	conventional	ADJ
admet-2278	260	26	bond	bond	NOUN
admet-2278	260	27	order	order	NOUN
admet-2278	260	28	(	(	PUNCT
admet-2278	260	29	bo	bo	NOUN
admet-2278	260	30	)	)	PUNCT
admet-2278	260	31	and	and	CCONJ
admet-2278	260	32	parameters	parameter	NOUN
admet-2278	260	33	related	relate	VERB
admet-2278	260	34	to	to	ADP
admet-2278	260	35	the	the	DET
admet-2278	260	36	resonance	resonance	NOUN
admet-2278	260	37	integral	integral	ADJ
admet-2278	260	38	(	(	PUNCT
admet-2278	260	39	ri	ri	NOUN
admet-2278	260	40	)	)	PUNCT
admet-2278	260	41	.	.	PUNCT
admet-2278	261	1	the	the	DET
admet-2278	261	2	spectral	spectral	ADJ
admet-2278	261	3	moment	moment	NOUN
admet-2278	261	4	represents	represent	VERB
admet-2278	261	5	the	the	DET
admet-2278	261	6	linear	linear	ADJ
admet-2278	261	7	combination	combination	NOUN
admet-2278	261	8	of	of	ADP
admet-2278	261	9	different	different	ADJ
admet-2278	261	10	structural	structural	ADJ
admet-2278	261	11	fragments	fragment	NOUN
admet-2278	261	12	in	in	ADP
admet-2278	261	13	the	the	DET
admet-2278	261	14	graph	graph	NOUN
admet-2278	261	15	[	[	X
admet-2278	261	16	29,40,41	29,40,41	NUM
admet-2278	261	17	]	]	PUNCT
admet-2278	261	18	.	.	PUNCT
admet-2278	262	1	in	in	ADP
admet-2278	262	2	contrast	contrast	NOUN
admet-2278	262	3	to	to	ADP
admet-2278	262	4	chromatographic	chromatographic	ADJ
admet-2278	262	5	behaviour	behaviour	NOUN
admet-2278	262	6	,	,	PUNCT
admet-2278	262	7	electrophoretic	electrophoretic	ADJ
admet-2278	262	8	mobility	mobility	NOUN
admet-2278	262	9	in	in	ADP
admet-2278	262	10	an	an	DET
admet-2278	262	11	acidic	acidic	ADJ
admet-2278	262	12	medium	medium	NOUN
admet-2278	262	13	is	be	AUX
admet-2278	262	14	primarily	primarily	ADV
admet-2278	262	15	determined	determine	VERB
admet-2278	262	16	by	by	ADP
admet-2278	262	17	2d	2d	NUM
admet-2278	262	18	autocorrelation	autocorrelation	NOUN
admet-2278	262	19	descriptors	descriptor	NOUN
admet-2278	262	20	(	(	PUNCT
admet-2278	262	21	ats6s	ats6s	PROPN
admet-2278	262	22	,	,	PUNCT
admet-2278	262	23	ats7s	ats7s	PROPN
admet-2278	262	24	,	,	PUNCT
admet-2278	262	25	atsc6	atsc6	NOUN
admet-2278	262	26	m	m	NOUN
admet-2278	262	27	)	)	PUNCT
admet-2278	262	28	(	(	PUNCT
admet-2278	262	29	table	table	NOUN
admet-2278	262	30	6	6	NUM
admet-2278	262	31	)	)	PUNCT
admet-2278	262	32	,	,	PUNCT
admet-2278	262	33	which	which	PRON
admet-2278	262	34	describe	describe	VERB
admet-2278	262	35	how	how	SCONJ
admet-2278	262	36	the	the	DET
admet-2278	262	37	observed	observed	ADJ
admet-2278	262	38	property	property	NOUN
admet-2278	262	39	(	(	PUNCT
admet-2278	262	40	in	in	ADP
admet-2278	262	41	this	this	DET
admet-2278	262	42	case	case	NOUN
admet-2278	262	43	,	,	PUNCT
admet-2278	262	44	the	the	DET
admet-2278	262	45	intrinsic	intrinsic	ADJ
admet-2278	262	46	state	state	NOUN
admet-2278	262	47	in	in	ADP
admet-2278	262	48	ats6s	ats6s	PROPN
admet-2278	262	49	and	and	CCONJ
admet-2278	262	50	ats7s	ats7s	PROPN
admet-2278	262	51	and	and	CCONJ
admet-2278	262	52	the	the	DET
admet-2278	262	53	mass	mass	NOUN
admet-2278	262	54	in	in	ADP
admet-2278	262	55	atsc6	atsc6	PROPN
admet-2278	262	56	m	m	NOUN
admet-2278	262	57	)	)	PUNCT
admet-2278	262	58	is	be	AUX
admet-2278	262	59	distributed	distribute	VERB
admet-2278	262	60	along	along	ADP
admet-2278	262	61	the	the	DET
admet-2278	262	62	topological	topological	ADJ
admet-2278	262	63	structure	structure	NOUN
admet-2278	262	64	.	.	PUNCT
admet-2278	263	1	table	table	NOUN
admet-2278	263	2	6	6	NUM
admet-2278	263	3	.	.	PUNCT
admet-2278	264	1	the	the	DET
admet-2278	264	2	most	most	ADV
admet-2278	264	3	important	important	ADJ
admet-2278	264	4	descriptors	descriptor	NOUN
admet-2278	264	5	in	in	ADP
admet-2278	264	6	selected	select	VERB
admet-2278	264	7	qsmr	qsmr	NOUN
admet-2278	264	8	models	model	NOUN
admet-2278	264	9	selected	select	VERB
admet-2278	264	10	descriptors	descriptor	NOUN
admet-2278	264	11	description	description	NOUN
admet-2278	264	12	class	class	NOUN
admet-2278	264	13	of	of	ADP
admet-2278	264	14	descriptors	descriptor	NOUN
admet-2278	264	15	ho_dz(e	ho_dz(e	NOUN
admet-2278	264	16	)	)	PUNCT
admet-2278	264	17	hosoya	hosoya	NOUN
admet-2278	264	18	-	-	PUNCT
admet-2278	264	19	like	like	ADJ
admet-2278	264	20	index	index	NOUN
admet-2278	264	21	(	(	PUNCT
admet-2278	264	22	log	log	NOUN
admet-2278	264	23	function	function	NOUN
admet-2278	264	24	)	)	PUNCT
admet-2278	264	25	from	from	ADP
admet-2278	264	26	barysz	barysz	NOUN
admet-2278	264	27	matrix	matrix	NOUN
admet-2278	264	28	weighted	weight	VERB
admet-2278	264	29	by	by	ADP
admet-2278	264	30	sanderson	sanderson	PROPN
admet-2278	264	31	electronegativity	electronegativity	PROPN
admet-2278	264	32	2d	2d	PROPN
admet-2278	264	33	matrix	matrix	NOUN
admet-2278	264	34	-	-	PUNCT
admet-2278	264	35	based	base	VERB
admet-2278	264	36	descriptors	descriptor	NOUN
admet-2278	264	37	ats6s	ats6s	PROPN
admet-2278	264	38	broto	broto	PROPN
admet-2278	264	39	-	-	PUNCT
admet-2278	264	40	moreau	moreau	PROPN
admet-2278	264	41	autocorrelation	autocorrelation	NOUN
admet-2278	264	42	of	of	ADP
admet-2278	264	43	lag	lag	NOUN
admet-2278	264	44	6	6	NUM
admet-2278	264	45	(	(	PUNCT
admet-2278	264	46	log	log	NOUN
admet-2278	264	47	function	function	NOUN
admet-2278	264	48	)	)	PUNCT
admet-2278	264	49	weighted	weight	VERB
admet-2278	264	50	by	by	ADP
admet-2278	264	51	i	i	PROPN
admet-2278	264	52	-	-	PUNCT
admet-2278	264	53	state	state	NOUN
admet-2278	264	54	2d	2d	NUM
admet-2278	264	55	autocorrelations	autocorrelation	NOUN
admet-2278	264	56	ats7s	ats7s	PROPN
admet-2278	264	57	broto	broto	NOUN
admet-2278	264	58	-	-	PUNCT
admet-2278	264	59	moreau	moreau	PROPN
admet-2278	264	60	autocorrelation	autocorrelation	NOUN
admet-2278	264	61	of	of	ADP
admet-2278	264	62	lag	lag	NOUN
admet-2278	264	63	7	7	NUM
admet-2278	264	64	(	(	PUNCT
admet-2278	264	65	log	log	NOUN
admet-2278	264	66	function	function	NOUN
admet-2278	264	67	)	)	PUNCT
admet-2278	264	68	weighted	weight	VERB
admet-2278	264	69	by	by	ADP
admet-2278	264	70	i	i	PROPN
admet-2278	264	71	-	-	PUNCT
admet-2278	264	72	state	state	NOUN
admet-2278	264	73	2d	2d	NUM
admet-2278	264	74	autocorrelations	autocorrelation	NOUN
admet-2278	264	75	atsc6	atsc6	ADJ
admet-2278	264	76	m	m	VERB
admet-2278	264	77	centred	centred	ADJ
admet-2278	264	78	broto	broto	NOUN
admet-2278	264	79	-	-	PUNCT
admet-2278	264	80	moreau	moreau	NOUN
admet-2278	264	81	autocorrelation	autocorrelation	NOUN
admet-2278	264	82	of	of	ADP
admet-2278	264	83	lag	lag	NOUN
admet-2278	264	84	6	6	NUM
admet-2278	264	85	weighted	weight	VERB
admet-2278	264	86	by	by	ADP
admet-2278	264	87	mass	mass	PROPN
admet-2278	264	88	2d	2d	PROPN
admet-2278	264	89	autocorrelations	autocorrelation	NOUN
admet-2278	264	90	ggi6	ggi6	PROPN
admet-2278	264	91	topological	topological	ADJ
admet-2278	264	92	charge	charge	NOUN
admet-2278	264	93	index	index	NOUN
admet-2278	264	94	of	of	ADP
admet-2278	264	95	order	order	NOUN
admet-2278	264	96	6	6	NUM
admet-2278	264	97	2d	2d	NUM
admet-2278	264	98	autocorrelations	autocorrelation	NOUN
admet-2278	264	99	r7u+	r7u+	VERB
admet-2278	264	100	r	r	NOUN
admet-2278	264	101	maximal	maximal	ADJ
admet-2278	264	102	autocorrelation	autocorrelation	NOUN
admet-2278	264	103	of	of	ADP
admet-2278	264	104	lag	lag	NOUN
admet-2278	264	105	7	7	NUM
admet-2278	264	106	/	/	SYM
admet-2278	264	107	unweighted	unweighted	ADJ
admet-2278	264	108	getaway	getaway	NOUN
admet-2278	264	109	descriptors	descriptor	NOUN
admet-2278	264	110	mor28s	mor28s	NOUN
admet-2278	264	111	signal	signal	VERB
admet-2278	264	112	28	28	NUM
admet-2278	264	113	/	/	PUNCT
admet-2278	264	114	weighted	weight	VERB
admet-2278	264	115	by	by	ADP
admet-2278	264	116	i	i	PROPN
admet-2278	264	117	-	-	PUNCT
admet-2278	264	118	state	state	NOUN
admet-2278	264	119	3d	3d	NUM
admet-2278	264	120	-	-	PUNCT
admet-2278	264	121	morse	morse	NOUN
admet-2278	264	122	descriptors	descriptor	NOUN
admet-2278	264	123	hats2i	hats2i	VERB
admet-2278	264	124	leverage	leverage	NOUN
admet-2278	264	125	-	-	PUNCT
admet-2278	264	126	weighted	weight	VERB
admet-2278	264	127	autocorrelation	autocorrelation	NOUN
admet-2278	264	128	of	of	ADP
admet-2278	264	129	lag	lag	NOUN
admet-2278	264	130	2	2	NUM
admet-2278	264	131	/	/	SYM
admet-2278	264	132	weighted	weight	VERB
admet-2278	264	133	by	by	ADP
admet-2278	264	134	ionization	ionization	NOUN
admet-2278	264	135	potential	potential	ADJ
admet-2278	264	136	getaway	getaway	NOUN
admet-2278	264	137	descriptors	descriptor	NOUN
admet-2278	264	138	homo	homo	NOUN
admet-2278	264	139	[	[	X
admet-2278	264	140	b3lyp/3	b3lyp/3	NOUN
admet-2278	264	141	-	-	PUNCT
admet-2278	264	142	21g(d	21g(d	PROPN
admet-2278	264	143	,	,	PUNCT
admet-2278	264	144	p	p	NOUN
admet-2278	264	145	)	)	PUNCT
admet-2278	264	146	]	]	PUNCT
admet-2278	265	1	highest	high	ADJ
admet-2278	265	2	occupied	occupy	VERB
admet-2278	265	3	molecular	molecular	ADJ
admet-2278	265	4	orbital	orbital	ADJ
admet-2278	265	5	quantum	quantum	NOUN
admet-2278	265	6	chemical	chemical	NOUN
admet-2278	265	7	sm1_dz(z	sm1_dz(z	PROPN
admet-2278	265	8	)	)	PUNCT
admet-2278	265	9	spectral	spectral	ADJ
admet-2278	265	10	moment	moment	NOUN
admet-2278	265	11	of	of	ADP
admet-2278	265	12	order	order	NOUN
admet-2278	265	13	1	1	NUM
admet-2278	265	14	from	from	ADP
admet-2278	265	15	barysz	barysz	NOUN
admet-2278	265	16	matrix	matrix	NOUN
admet-2278	265	17	weighted	weight	VERB
admet-2278	265	18	by	by	ADP
admet-2278	265	19	atomic	atomic	ADJ
admet-2278	265	20	number	number	NOUN
admet-2278	265	21	2d	2d	NUM
admet-2278	265	22	matrix	matrix	NOUN
admet-2278	265	23	-	-	PUNCT
admet-2278	265	24	based	base	VERB
admet-2278	265	25	descriptors	descriptor	NOUN
admet-2278	265	26	ish	ish	VERB
admet-2278	265	27	standardized	standardize	VERB
admet-2278	265	28	information	information	NOUN
admet-2278	265	29	content	content	NOUN
admet-2278	265	30	on	on	ADP
admet-2278	265	31	the	the	DET
admet-2278	265	32	leverage	leverage	NOUN
admet-2278	265	33	equality	equality	NOUN
admet-2278	265	34	getaway	getaway	NOUN
admet-2278	265	35	descriptors	descriptor	NOUN
admet-2278	265	36	sm15_ea(dm	sm15_ea(dm	NOUN
admet-2278	265	37	)	)	PUNCT
admet-2278	265	38	spectral	spectral	ADJ
admet-2278	265	39	moment	moment	NOUN
admet-2278	265	40	of	of	ADP
admet-2278	265	41	order	order	NOUN
admet-2278	265	42	15	15	NUM
admet-2278	265	43	from	from	ADP
admet-2278	265	44	edge	edge	NOUN
admet-2278	265	45	adjacency	adjacency	PROPN
admet-2278	265	46	mat	mat	PROPN
admet-2278	265	47	.	.	PROPN
admet-2278	265	48	weighted	weight	VERB
admet-2278	265	49	by	by	ADP
admet-2278	265	50	dipole	dipole	NOUN
admet-2278	265	51	moment	moment	NOUN
admet-2278	265	52	edge	edge	NOUN
admet-2278	265	53	adjacency	adjacency	PROPN
admet-2278	265	54	indices	indice	VERB
admet-2278	265	55	https://doi.org/10.5599/admet.2278	https://doi.org/10.5599/admet.2278	PROPN
admet-2278	265	56	s.	s.	PROPN
admet-2278	266	1	oljacic	oljacic	VERB
admet-2278	266	2	et	et	PROPN
admet-2278	266	3	al	al	PROPN
admet-2278	266	4	.	.	PROPN
admet-2278	266	5	admet	admet	PROPN
admet-2278	266	6	&	&	CCONJ
admet-2278	266	7	dmpk	dmpk	PROPN
admet-2278	266	8	12(5	12(5	NUM
admet-2278	266	9	)	)	PUNCT
admet-2278	266	10	(	(	PUNCT
admet-2278	266	11	2024	2024	NUM
admet-2278	266	12	)	)	PUNCT
admet-2278	266	13	737	737	NUM
admet-2278	266	14	-	-	SYM
admet-2278	266	15	757	757	NUM
admet-2278	266	16	752	752	NUM
admet-2278	266	17	this	this	DET
admet-2278	266	18	class	class	NOUN
admet-2278	266	19	of	of	ADP
admet-2278	266	20	descriptors	descriptor	NOUN
admet-2278	266	21	represents	represent	VERB
admet-2278	266	22	the	the	DET
admet-2278	266	23	homogeneity	homogeneity	NOUN
admet-2278	266	24	of	of	ADP
admet-2278	266	25	the	the	DET
admet-2278	266	26	molecular	molecular	ADJ
admet-2278	266	27	structure	structure	NOUN
admet-2278	266	28	and	and	CCONJ
admet-2278	266	29	can	can	AUX
admet-2278	266	30	be	be	AUX
admet-2278	266	31	weighted	weight	VERB
admet-2278	266	32	by	by	ADP
admet-2278	266	33	the	the	DET
admet-2278	266	34	intrinsic	intrinsic	ADJ
admet-2278	266	35	state	state	NOUN
admet-2278	266	36	(	(	PUNCT
admet-2278	266	37	s	s	NOUN
admet-2278	266	38	)	)	PUNCT
admet-2278	266	39	,	,	PUNCT
admet-2278	266	40	the	the	DET
admet-2278	266	41	sanderson	sanderson	PROPN
admet-2278	266	42	electronegativity	electronegativity	NOUN
admet-2278	266	43	(	(	PUNCT
admet-2278	266	44	e	e	NOUN
admet-2278	266	45	)	)	PUNCT
admet-2278	266	46	,	,	PUNCT
admet-2278	266	47	the	the	DET
admet-2278	266	48	atomic	atomic	ADJ
admet-2278	266	49	mass	mass	NOUN
admet-2278	266	50	(	(	PUNCT
admet-2278	266	51	m	m	NOUN
admet-2278	266	52	)	)	PUNCT
admet-2278	266	53	and	and	CCONJ
admet-2278	266	54	the	the	DET
admet-2278	266	55	van	van	PROPN
admet-2278	266	56	der	der	NOUN
admet-2278	266	57	waals	waal	NOUN
admet-2278	266	58	volume	volume	NOUN
admet-2278	266	59	(	(	PUNCT
admet-2278	266	60	v	v	NOUN
admet-2278	266	61	)	)	PUNCT
admet-2278	267	1	[	[	X
admet-2278	267	2	42	42	NUM
admet-2278	267	3	]	]	PUNCT
admet-2278	267	4	.	.	PUNCT
admet-2278	268	1	h0_dz(e	h0_dz(e	PROPN
admet-2278	268	2	)	)	PUNCT
admet-2278	268	3	(	(	PUNCT
admet-2278	268	4	hosoya	hosoya	NOUN
admet-2278	268	5	-	-	PUNCT
admet-2278	268	6	like	like	ADJ
admet-2278	268	7	index	index	NOUN
admet-2278	268	8	(	(	PUNCT
admet-2278	268	9	log	log	NOUN
admet-2278	268	10	function	function	NOUN
admet-2278	268	11	)	)	PUNCT
admet-2278	268	12	from	from	ADP
admet-2278	268	13	the	the	DET
admet-2278	268	14	barysz	barysz	NOUN
admet-2278	268	15	matrix	matrix	NOUN
admet-2278	268	16	,	,	PUNCT
admet-2278	268	17	weighted	weight	VERB
admet-2278	268	18	by	by	ADP
admet-2278	268	19	the	the	DET
admet-2278	268	20	sanderson	sanderson	PROPN
admet-2278	268	21	electronegativity	electronegativity	PROPN
admet-2278	268	22	)	)	PUNCT
admet-2278	268	23	is	be	AUX
admet-2278	268	24	2d	2d	NOUN
admet-2278	268	25	-	-	PUNCT
admet-2278	268	26	matrix	matrix	NOUN
admet-2278	268	27	-	-	PUNCT
admet-2278	268	28	based	base	VERB
admet-2278	268	29	descriptor	descriptor	NOUN
admet-2278	268	30	and	and	CCONJ
admet-2278	268	31	represents	represent	VERB
admet-2278	268	32	a	a	DET
admet-2278	268	33	measure	measure	NOUN
admet-2278	268	34	of	of	ADP
admet-2278	268	35	molecular	molecular	ADJ
admet-2278	268	36	size	size	NOUN
admet-2278	268	37	and	and	CCONJ
admet-2278	268	38	branching	branch	VERB
admet-2278	268	39	[	[	X
admet-2278	268	40	43	43	NUM
admet-2278	268	41	]	]	PUNCT
admet-2278	268	42	.	.	PUNCT
admet-2278	269	1	from	from	ADP
admet-2278	269	2	the	the	DET
admet-2278	269	3	coefficient	coefficient	NOUN
admet-2278	269	4	plot	plot	NOUN
admet-2278	269	5	(	(	PUNCT
admet-2278	269	6	figure	figure	NOUN
admet-2278	269	7	4	4	NUM
admet-2278	269	8	)	)	PUNCT
admet-2278	269	9	,	,	PUNCT
admet-2278	269	10	it	it	PRON
admet-2278	269	11	can	can	AUX
admet-2278	269	12	be	be	AUX
admet-2278	269	13	concluded	conclude	VERB
admet-2278	269	14	that	that	SCONJ
admet-2278	269	15	all	all	DET
admet-2278	269	16	selected	select	VERB
admet-2278	269	17	descriptors	descriptor	NOUN
admet-2278	269	18	have	have	VERB
admet-2278	269	19	a	a	DET
admet-2278	269	20	negative	negative	ADJ
admet-2278	269	21	influence	influence	NOUN
admet-2278	269	22	on	on	ADP
admet-2278	269	23	the	the	DET
admet-2278	269	24	µeff4.4	µeff4.4	PUNCT
admet-2278	269	25	values	value	NOUN
admet-2278	269	26	.	.	PUNCT
admet-2278	270	1	figure	figure	NOUN
admet-2278	270	2	4	4	NUM
admet-2278	270	3	.	.	PUNCT
admet-2278	271	1	coefficient	coefficient	NOUN
admet-2278	271	2	plot	plot	NOUN
admet-2278	271	3	of	of	ADP
admet-2278	271	4	descriptors	descriptor	NOUN
admet-2278	271	5	in	in	ADP
admet-2278	271	6	pls	pls	NOUN
admet-2278	271	7	-	-	PUNCT
admet-2278	271	8	qsmr	qsmr	NOUN
admet-2278	271	9	(	(	PUNCT
admet-2278	271	10	µeff4.4	µeff4.4	NUM
admet-2278	271	11	)	)	PUNCT
admet-2278	271	12	model	model	NOUN
admet-2278	271	13	at	at	ADP
admet-2278	271	14	a	a	DET
admet-2278	271	15	physiological	physiological	ADJ
admet-2278	271	16	ph	ph	NOUN
admet-2278	271	17	of	of	ADP
admet-2278	271	18	7.4	7.4	NUM
admet-2278	271	19	,	,	PUNCT
admet-2278	271	20	retention	retention	NOUN
admet-2278	271	21	behaviour	behaviour	NOUN
admet-2278	271	22	is	be	AUX
admet-2278	271	23	a	a	DET
admet-2278	271	24	function	function	NOUN
admet-2278	271	25	of	of	ADP
admet-2278	271	26	2d	2d	NUM
admet-2278	271	27	matrix	matrix	NOUN
admet-2278	271	28	-	-	PUNCT
admet-2278	271	29	based	base	VERB
admet-2278	271	30	descriptors	descriptor	NOUN
admet-2278	271	31	and	and	CCONJ
admet-2278	271	32	molecular	molecular	ADJ
admet-2278	271	33	properties	property	NOUN
admet-2278	271	34	(	(	PUNCT
admet-2278	271	35	table	table	NOUN
admet-2278	271	36	5	5	NUM
admet-2278	271	37	)	)	PUNCT
admet-2278	271	38	.	.	PUNCT
admet-2278	272	1	selected	select	VERB
admet-2278	272	2	2d	2d	NUM
admet-2278	272	3	matrix	matrix	NOUN
admet-2278	272	4	-	-	PUNCT
admet-2278	272	5	based	base	VERB
admet-2278	272	6	descriptors	descriptor	NOUN
admet-2278	272	7	are	be	AUX
admet-2278	272	8	derived	derive	VERB
admet-2278	272	9	from	from	ADP
admet-2278	272	10	the	the	DET
admet-2278	272	11	detour	detour	NOUN
admet-2278	272	12	matrix	matrix	NOUN
admet-2278	272	13	(	(	PUNCT
admet-2278	272	14	ho_dt	ho_dt	PROPN
admet-2278	272	15	,	,	PUNCT
admet-2278	272	16	sm3_dt	sm3_dt	PROPN
admet-2278	272	17	,	,	PUNCT
admet-2278	272	18	ve2_dt	ve2_dt	PROPN
admet-2278	272	19	)	)	PUNCT
admet-2278	272	20	and	and	CCONJ
admet-2278	272	21	the	the	DET
admet-2278	272	22	distance	distance	NOUN
admet-2278	272	23	/	/	SYM
admet-2278	272	24	detour	detour	NOUN
admet-2278	272	25	matrix	matrix	NOUN
admet-2278	272	26	(	(	PUNCT
admet-2278	272	27	h_d	h_d	SYM
admet-2278	272	28	/	/	SYM
admet-2278	272	29	dt	dt	NOUN
admet-2278	272	30	)	)	PUNCT
admet-2278	272	31	,	,	PUNCT
admet-2278	272	32	in	in	ADP
admet-2278	272	33	contrast	contrast	NOUN
admet-2278	272	34	to	to	ADP
admet-2278	272	35	the	the	DET
admet-2278	272	36	2d	2d	NUM
admet-2278	272	37	matrix	matrix	NOUN
admet-2278	272	38	-	-	PUNCT
admet-2278	272	39	based	base	VERB
admet-2278	272	40	descriptors	descriptor	NOUN
admet-2278	272	41	at	at	ADP
admet-2278	272	42	ph	ph	PROPN
admet-2278	272	43	4.4	4.4	NUM
admet-2278	272	44	.	.	PUNCT
admet-2278	273	1	ho_dt	ho_dt	PROPN
admet-2278	273	2	is	be	AUX
admet-2278	273	3	a	a	DET
admet-2278	273	4	hosoya	hosoya	NOUN
admet-2278	273	5	-	-	PUNCT
admet-2278	273	6	like	like	ADJ
admet-2278	273	7	index	index	NOUN
admet-2278	273	8	(	(	PUNCT
admet-2278	273	9	log	log	NOUN
admet-2278	273	10	function	function	NOUN
admet-2278	273	11	)	)	PUNCT
admet-2278	273	12	from	from	ADP
admet-2278	273	13	the	the	DET
admet-2278	273	14	detour	detour	NOUN
admet-2278	273	15	matrix	matrix	NOUN
admet-2278	273	16	and	and	CCONJ
admet-2278	273	17	represents	represent	VERB
admet-2278	273	18	a	a	DET
admet-2278	273	19	molecular	molecular	ADJ
admet-2278	273	20	descriptor	descriptor	NOUN
admet-2278	273	21	that	that	PRON
admet-2278	273	22	depends	depend	VERB
admet-2278	273	23	on	on	ADP
admet-2278	273	24	the	the	DET
admet-2278	273	25	size	size	NOUN
admet-2278	273	26	of	of	ADP
admet-2278	273	27	the	the	DET
admet-2278	273	28	molecule	molecule	NOUN
admet-2278	273	29	as	as	ADV
admet-2278	273	30	well	well	ADV
admet-2278	273	31	as	as	ADP
admet-2278	273	32	its	its	PRON
admet-2278	273	33	voluminosity	voluminosity	NOUN
admet-2278	273	34	[	[	X
admet-2278	273	35	43	43	NUM
admet-2278	273	36	-	-	SYM
admet-2278	273	37	45	45	NUM
admet-2278	273	38	]	]	PUNCT
admet-2278	273	39	.	.	PUNCT
admet-2278	274	1	molecules	molecule	NOUN
admet-2278	274	2	with	with	ADP
admet-2278	274	3	a	a	DET
admet-2278	274	4	simple	simple	ADJ
admet-2278	274	5	structure	structure	NOUN
admet-2278	274	6	,	,	PUNCT
admet-2278	274	7	such	such	ADJ
admet-2278	274	8	as	as	ADP
admet-2278	274	9	ephedrine	ephedrine	NOUN
admet-2278	274	10	and	and	CCONJ
admet-2278	274	11	phenilephrine	phenilephrine	NOUN
admet-2278	274	12	have	have	VERB
admet-2278	274	13	the	the	DET
admet-2278	274	14	lowest	low	ADJ
admet-2278	274	15	value	value	NOUN
admet-2278	274	16	of	of	ADP
admet-2278	274	17	ho_dt	ho_dt	PROPN
admet-2278	274	18	,	,	PUNCT
admet-2278	274	19	while	while	SCONJ
admet-2278	274	20	complex	complex	ADJ
admet-2278	274	21	structures	structure	NOUN
admet-2278	274	22	,	,	PUNCT
admet-2278	274	23	such	such	ADJ
admet-2278	274	24	as	as	ADP
admet-2278	274	25	those	those	PRON
admet-2278	274	26	found	find	VERB
admet-2278	274	27	in	in	ADP
admet-2278	274	28	doxazosin	doxazosin	NOUN
admet-2278	274	29	and	and	CCONJ
admet-2278	274	30	tetracyclic	tetracyclic	NOUN
admet-2278	274	31	(	(	PUNCT
admet-2278	274	32	mianserin	mianserin	NOUN
admet-2278	274	33	)	)	PUNCT
admet-2278	274	34	and	and	CCONJ
admet-2278	274	35	tricyclic	tricyclic	ADJ
admet-2278	274	36	compounds	compound	NOUN
admet-2278	274	37	(	(	PUNCT
admet-2278	274	38	carvedilol	carvedilol	NOUN
admet-2278	274	39	,	,	PUNCT
admet-2278	274	40	clozapine	clozapine	NOUN
admet-2278	274	41	)	)	PUNCT
admet-2278	274	42	have	have	VERB
admet-2278	274	43	the	the	DET
admet-2278	274	44	highest	high	ADJ
admet-2278	274	45	value	value	NOUN
admet-2278	274	46	of	of	ADP
admet-2278	274	47	this	this	DET
admet-2278	274	48	descriptor	descriptor	NOUN
admet-2278	274	49	.	.	PUNCT
admet-2278	275	1	h_d	h_d	PART
admet-2278	275	2	/	/	SYM
admet-2278	275	3	dt	dt	PROPN
admet-2278	275	4	(	(	PUNCT
admet-2278	275	5	harary	harary	NOUN
admet-2278	275	6	-	-	PUNCT
admet-2278	275	7	like	like	ADJ
admet-2278	275	8	index	index	NOUN
admet-2278	275	9	from	from	ADP
admet-2278	275	10	distance	distance	NOUN
admet-2278	275	11	/	/	SYM
admet-2278	275	12	detour	detour	NOUN
admet-2278	275	13	matrix	matrix	NOUN
admet-2278	275	14	)	)	PUNCT
admet-2278	275	15	is	be	AUX
admet-2278	275	16	also	also	ADV
admet-2278	275	17	a	a	DET
admet-2278	275	18	parameter	parameter	NOUN
admet-2278	275	19	sensitive	sensitive	ADJ
admet-2278	275	20	to	to	ADP
admet-2278	275	21	steric	steric	ADJ
admet-2278	275	22	effects	effect	NOUN
admet-2278	275	23	and	and	CCONJ
admet-2278	275	24	whose	whose	DET
admet-2278	275	25	value	value	NOUN
admet-2278	275	26	increases	increase	VERB
admet-2278	275	27	with	with	ADP
admet-2278	275	28	increasing	increase	VERB
admet-2278	275	29	molecule	molecule	NOUN
admet-2278	275	30	size	size	NOUN
admet-2278	275	31	and	and	CCONJ
admet-2278	275	32	branching	branch	VERB
admet-2278	275	33	[	[	X
admet-2278	275	34	46	46	NUM
admet-2278	275	35	]	]	PUNCT
admet-2278	275	36	.	.	PUNCT
admet-2278	276	1	both	both	DET
admet-2278	276	2	descriptors	descriptor	NOUN
admet-2278	276	3	are	be	AUX
admet-2278	276	4	positively	positively	ADV
admet-2278	276	5	correlated	correlate	VERB
admet-2278	276	6	with	with	ADP
admet-2278	276	7	the	the	DET
admet-2278	276	8	log	log	NOUN
admet-2278	276	9	kw7.4	kw7.4	PUNCT
admet-2278	276	10	data	datum	NOUN
admet-2278	276	11	(	(	PUNCT
admet-2278	276	12	figure	figure	NOUN
admet-2278	276	13	5	5	NUM
admet-2278	276	14	.	.	PUNCT
admet-2278	276	15	)	)	PUNCT
admet-2278	276	16	,	,	PUNCT
admet-2278	276	17	which	which	PRON
admet-2278	276	18	means	mean	VERB
admet-2278	276	19	that	that	SCONJ
admet-2278	276	20	more	more	ADJ
admet-2278	276	21	lipophilic	lipophilic	ADJ
admet-2278	276	22	compounds	compound	NOUN
admet-2278	276	23	are	be	AUX
admet-2278	276	24	characterised	characterise	VERB
admet-2278	276	25	by	by	ADP
admet-2278	276	26	a	a	DET
admet-2278	276	27	higher	high	ADJ
admet-2278	276	28	value	value	NOUN
admet-2278	276	29	of	of	ADP
admet-2278	276	30	this	this	DET
admet-2278	276	31	descriptor	descriptor	NOUN
admet-2278	276	32	.	.	PUNCT
admet-2278	277	1	figure	figure	NOUN
admet-2278	277	2	5	5	NUM
admet-2278	277	3	.	.	PUNCT
admet-2278	278	1	coefficient	coefficient	NOUN
admet-2278	278	2	plot	plot	NOUN
admet-2278	278	3	of	of	ADP
admet-2278	278	4	descriptors	descriptor	NOUN
admet-2278	278	5	in	in	ADP
admet-2278	278	6	pls	pls	NOUN
admet-2278	278	7	-	-	PUNCT
admet-2278	278	8	qsrr	qsrr	NOUN
admet-2278	278	9	(	(	PUNCT
admet-2278	278	10	log	log	PROPN
admet-2278	278	11	kw7.4	kw7.4	VERB
admet-2278	278	12	)	)	PUNCT
admet-2278	278	13	model	model	NOUN
admet-2278	278	14	admet	admet	PROPN
admet-2278	278	15	&	&	CCONJ
admet-2278	278	16	dmpk	dmpk	PROPN
admet-2278	278	17	12(5	12(5	NUM
admet-2278	278	18	)	)	PUNCT
admet-2278	278	19	(	(	PUNCT
admet-2278	278	20	2024	2024	NUM
admet-2278	278	21	)	)	PUNCT
admet-2278	278	22	737	737	NUM
admet-2278	278	23	-	-	SYM
admet-2278	278	24	757	757	NUM
admet-2278	278	25	imidazoline	imidazoline	NOUN
admet-2278	278	26	and	and	CCONJ
admet-2278	278	27	alpha	alpha	NOUN
admet-2278	278	28	adrenergic	adrenergic	NOUN
admet-2278	278	29	receptors	receptor	NOUN
admet-2278	278	30	ligands	ligand	NOUN
admet-2278	278	31	doi	doi	NOUN
admet-2278	278	32	:	:	PUNCT
admet-2278	278	33	https://doi.org/10.5599/admet.2278	https://doi.org/10.5599/admet.2278	PROPN
admet-2278	278	34	753	753	NUM
admet-2278	278	35	the	the	DET
admet-2278	278	36	logarithm	logarithm	NOUN
admet-2278	278	37	of	of	ADP
admet-2278	278	38	distribution	distribution	NOUN
admet-2278	278	39	coefficient	coefficient	NOUN
admet-2278	278	40	at	at	ADP
admet-2278	278	41	ph	ph	PROPN
admet-2278	278	42	7.4	7.4	NUM
admet-2278	278	43	,	,	PUNCT
admet-2278	278	44	log	log	NOUN
admet-2278	278	45	d7.4	d7.4	PROPN
admet-2278	279	1	[	[	X
admet-2278	279	2	28	28	NUM
admet-2278	279	3	]	]	PUNCT
admet-2278	279	4	,	,	PUNCT
admet-2278	279	5	is	be	AUX
admet-2278	279	6	a	a	DET
admet-2278	279	7	measure	measure	NOUN
admet-2278	279	8	of	of	ADP
admet-2278	279	9	the	the	DET
admet-2278	279	10	lipophilicity	lipophilicity	NOUN
admet-2278	279	11	of	of	ADP
admet-2278	279	12	compounds	compound	NOUN
admet-2278	279	13	at	at	ADP
admet-2278	279	14	ph	ph	PROPN
admet-2278	279	15	7.4	7.4	NUM
admet-2278	279	16	and	and	CCONJ
admet-2278	279	17	indicates	indicate	VERB
admet-2278	279	18	the	the	DET
admet-2278	279	19	importance	importance	NOUN
admet-2278	279	20	of	of	ADP
admet-2278	279	21	considering	consider	VERB
admet-2278	279	22	the	the	DET
admet-2278	279	23	presence	presence	NOUN
admet-2278	279	24	of	of	ADP
admet-2278	279	25	ionic	ionic	ADJ
admet-2278	279	26	species	specie	NOUN
admet-2278	279	27	when	when	SCONJ
admet-2278	279	28	evaluating	evaluate	VERB
admet-2278	279	29	the	the	DET
admet-2278	279	30	lipophilicity	lipophilicity	NOUN
admet-2278	279	31	of	of	ADP
admet-2278	279	32	compounds	compound	NOUN
admet-2278	279	33	at	at	ADP
admet-2278	279	34	ph	ph	PROPN
admet-2278	279	35	7.4	7.4	NUM
admet-2278	279	36	.	.	PUNCT
admet-2278	280	1	the	the	DET
admet-2278	280	2	selected	select	VERB
admet-2278	280	3	model	model	NOUN
admet-2278	280	4	shows	show	VERB
admet-2278	280	5	that	that	SCONJ
admet-2278	280	6	calculations	calculation	NOUN
admet-2278	280	7	of	of	ADP
admet-2278	280	8	all	all	DET
admet-2278	280	9	proposed	propose	VERB
admet-2278	280	10	descriptors	descriptor	NOUN
admet-2278	280	11	allow	allow	VERB
admet-2278	280	12	a	a	DET
admet-2278	280	13	more	more	ADV
admet-2278	280	14	reliable	reliable	ADJ
admet-2278	280	15	prediction	prediction	NOUN
admet-2278	280	16	of	of	ADP
admet-2278	280	17	compound	compound	NOUN
admet-2278	280	18	lipophilicity	lipophilicity	NOUN
admet-2278	280	19	and	and	CCONJ
admet-2278	280	20	that	that	SCONJ
admet-2278	280	21	the	the	DET
admet-2278	280	22	design	design	NOUN
admet-2278	280	23	of	of	ADP
admet-2278	280	24	compounds	compound	NOUN
admet-2278	280	25	with	with	ADP
admet-2278	280	26	the	the	DET
admet-2278	280	27	desired	desire	VERB
admet-2278	280	28	properties	property	NOUN
admet-2278	280	29	is	be	AUX
admet-2278	280	30	influenced	influence	VERB
admet-2278	280	31	by	by	ADP
admet-2278	280	32	the	the	DET
admet-2278	280	33	presence	presence	NOUN
admet-2278	280	34	of	of	ADP
admet-2278	280	35	groups	group	NOUN
admet-2278	280	36	responsible	responsible	ADJ
admet-2278	280	37	for	for	ADP
admet-2278	280	38	steric	steric	ADJ
admet-2278	280	39	effects	effect	NOUN
admet-2278	280	40	and	and	CCONJ
admet-2278	280	41	the	the	DET
admet-2278	280	42	size	size	NOUN
admet-2278	280	43	of	of	ADP
admet-2278	280	44	the	the	DET
admet-2278	280	45	molecule	molecule	NOUN
admet-2278	280	46	.	.	PUNCT
admet-2278	281	1	in	in	ADP
admet-2278	281	2	capillary	capillary	ADJ
admet-2278	281	3	electrophoresis	electrophoresis	NOUN
admet-2278	281	4	,	,	PUNCT
admet-2278	281	5	the	the	DET
admet-2278	281	6	electrophoretic	electrophoretic	ADJ
admet-2278	281	7	mobility	mobility	NOUN
admet-2278	281	8	of	of	ADP
admet-2278	281	9	investigated	investigate	VERB
admet-2278	281	10	compounds	compound	NOUN
admet-2278	281	11	at	at	ADP
admet-2278	281	12	ph	ph	PROPN
admet-2278	281	13	7.4	7.4	NUM
admet-2278	281	14	can	can	AUX
admet-2278	281	15	be	be	AUX
admet-2278	281	16	discussed	discuss	VERB
admet-2278	281	17	on	on	ADP
admet-2278	281	18	the	the	DET
admet-2278	281	19	basis	basis	NOUN
admet-2278	281	20	of	of	ADP
admet-2278	281	21	selected	select	VERB
admet-2278	281	22	2d	2d	NUM
admet-2278	281	23	autocorrelations	autocorrelation	NOUN
admet-2278	281	24	(	(	PUNCT
admet-2278	281	25	ggi6	ggi6	PROPN
admet-2278	281	26	)	)	PUNCT
admet-2278	281	27	,	,	PUNCT
admet-2278	281	28	getawey	getawey	PROPN
admet-2278	281	29	and	and	CCONJ
admet-2278	281	30	3d	3d	NOUN
admet-2278	281	31	-	-	PUNCT
admet-2278	281	32	morse	morse	NOUN
admet-2278	281	33	descriptors	descriptor	NOUN
admet-2278	281	34	(	(	PUNCT
admet-2278	281	35	table	table	NOUN
admet-2278	281	36	6	6	NUM
admet-2278	281	37	)	)	PUNCT
admet-2278	281	38	.	.	PUNCT
admet-2278	282	1	in	in	ADP
admet-2278	282	2	contrast	contrast	NOUN
admet-2278	282	3	to	to	ADP
admet-2278	282	4	the	the	DET
admet-2278	282	5	pls	pls	NOUN
admet-2278	282	6	-	-	PUNCT
admet-2278	282	7	qsmr	qsmr	NOUN
admet-2278	282	8	(	(	PUNCT
admet-2278	282	9	µeff4.4	µeff4.4	NUM
admet-2278	282	10	)	)	PUNCT
admet-2278	282	11	model	model	NOUN
admet-2278	282	12	,	,	PUNCT
admet-2278	282	13	in	in	ADP
admet-2278	282	14	which	which	PRON
admet-2278	282	15	the	the	DET
admet-2278	282	16	class	class	NOUN
admet-2278	282	17	of	of	ADP
admet-2278	282	18	2d	2d	PROPN
admet-2278	282	19	autocorrelation	autocorrelation	NOUN
admet-2278	282	20	descriptors	descriptor	NOUN
admet-2278	282	21	dominates	dominate	VERB
admet-2278	282	22	,	,	PUNCT
admet-2278	282	23	the	the	DET
admet-2278	282	24	3d	3d	PROPN
admet-2278	282	25	descriptors	descriptor	NOUN
admet-2278	282	26	appear	appear	VERB
admet-2278	282	27	to	to	PART
admet-2278	282	28	be	be	AUX
admet-2278	282	29	more	more	ADV
admet-2278	282	30	important	important	ADJ
admet-2278	282	31	in	in	ADP
admet-2278	282	32	the	the	DET
admet-2278	282	33	selected	select	VERB
admet-2278	282	34	mlr	mlr	NOUN
admet-2278	282	35	-	-	PUNCT
admet-2278	282	36	qsmr	qsmr	NOUN
admet-2278	282	37	(	(	PUNCT
admet-2278	282	38	µeff7.4	µeff7.4	NOUN
admet-2278	282	39	)	)	PUNCT
admet-2278	282	40	model	model	NOUN
admet-2278	282	41	.	.	PUNCT
admet-2278	283	1	getaway	getaway	NOUN
admet-2278	283	2	descriptors	descriptor	NOUN
admet-2278	283	3	combine	combine	VERB
admet-2278	283	4	the	the	DET
admet-2278	283	5	3d	3d	ADJ
admet-2278	283	6	-	-	PUNCT
admet-2278	283	7	molecular	molecular	ADJ
admet-2278	283	8	geometry	geometry	NOUN
admet-2278	283	9	provided	provide	VERB
admet-2278	283	10	by	by	ADP
admet-2278	283	11	the	the	DET
admet-2278	283	12	molecular	molecular	ADJ
admet-2278	283	13	influence	influence	NOUN
admet-2278	283	14	matrix	matrix	NOUN
admet-2278	283	15	and	and	CCONJ
admet-2278	283	16	atomic	atomic	ADJ
admet-2278	283	17	relatedness	relatedness	NOUN
admet-2278	283	18	through	through	ADP
admet-2278	283	19	molecular	molecular	ADJ
admet-2278	283	20	topology	topology	NOUN
admet-2278	283	21	with	with	ADP
admet-2278	283	22	chemical	chemical	ADJ
admet-2278	283	23	information	information	NOUN
admet-2278	283	24	by	by	ADP
admet-2278	283	25	using	use	VERB
admet-2278	283	26	different	different	ADJ
admet-2278	283	27	atomic	atomic	ADJ
admet-2278	283	28	weights	weight	NOUN
admet-2278	283	29	(	(	PUNCT
admet-2278	283	30	atomic	atomic	ADJ
admet-2278	283	31	mass	mass	NOUN
admet-2278	283	32	,	,	PUNCT
admet-2278	283	33	polarizability	polarizability	NOUN
admet-2278	283	34	,	,	PUNCT
admet-2278	283	35	van	van	PROPN
admet-2278	283	36	der	der	NOUN
admet-2278	283	37	waals	waal	NOUN
admet-2278	283	38	volume	volume	NOUN
admet-2278	283	39	and	and	CCONJ
admet-2278	283	40	electronegativity	electronegativity	NOUN
admet-2278	283	41	)	)	PUNCT
admet-2278	283	42	together	together	ADV
admet-2278	283	43	with	with	ADP
admet-2278	283	44	unit	unit	NOUN
admet-2278	283	45	weights	weight	NOUN
admet-2278	283	46	[	[	X
admet-2278	283	47	47	47	NUM
admet-2278	283	48	]	]	PUNCT
admet-2278	283	49	.	.	PUNCT
admet-2278	284	1	getaways	getaway	NOUN
admet-2278	284	2	(	(	PUNCT
admet-2278	284	3	hats2i	hats2i	PROPN
admet-2278	284	4	,	,	PUNCT
admet-2278	284	5	r7u+	r7u+	VERB
admet-2278	284	6	)	)	PUNCT
admet-2278	284	7	are	be	AUX
admet-2278	284	8	geometric	geometric	ADJ
admet-2278	284	9	descriptors	descriptor	NOUN
admet-2278	284	10	that	that	PRON
admet-2278	284	11	are	be	AUX
admet-2278	284	12	sensitive	sensitive	ADJ
admet-2278	284	13	to	to	ADP
admet-2278	284	14	molecular	molecular	ADJ
admet-2278	284	15	branching	branching	NOUN
admet-2278	284	16	and	and	CCONJ
admet-2278	284	17	cyclicity	cyclicity	NOUN
admet-2278	284	18	,	,	PUNCT
admet-2278	284	19	encode	encode	ADJ
admet-2278	284	20	information	information	NOUN
admet-2278	284	21	about	about	ADP
admet-2278	284	22	the	the	DET
admet-2278	284	23	effective	effective	ADJ
admet-2278	284	24	position	position	NOUN
admet-2278	284	25	of	of	ADP
admet-2278	284	26	substituents	substituent	NOUN
admet-2278	284	27	and	and	CCONJ
admet-2278	284	28	fragments	fragment	NOUN
admet-2278	284	29	in	in	ADP
admet-2278	284	30	molecular	molecular	ADJ
admet-2278	284	31	space	space	NOUN
admet-2278	284	32	,	,	PUNCT
admet-2278	284	33	and	and	CCONJ
admet-2278	284	34	may	may	AUX
admet-2278	284	35	be	be	AUX
admet-2278	284	36	suitable	suitable	ADJ
admet-2278	284	37	to	to	PART
admet-2278	284	38	describe	describe	VERB
admet-2278	284	39	differences	difference	NOUN
admet-2278	284	40	in	in	ADP
admet-2278	284	41	congeneric	congeneric	ADJ
admet-2278	284	42	molecular	molecular	ADJ
admet-2278	284	43	series	series	NOUN
admet-2278	284	44	[	[	X
admet-2278	284	45	29	29	NUM
admet-2278	284	46	]	]	PUNCT
admet-2278	284	47	.	.	PUNCT
admet-2278	285	1	equation	equation	NOUN
admet-2278	285	2	19	19	NUM
admet-2278	285	3	shows	show	VERB
admet-2278	285	4	that	that	SCONJ
admet-2278	285	5	both	both	DET
admet-2278	285	6	descriptors	descriptor	NOUN
admet-2278	285	7	(	(	PUNCT
admet-2278	285	8	hats2i	hats2i	PROPN
admet-2278	285	9	,	,	PUNCT
admet-2278	285	10	r7u+	r7u+	VERB
admet-2278	285	11	)	)	PUNCT
admet-2278	285	12	have	have	VERB
admet-2278	285	13	a	a	DET
admet-2278	285	14	negative	negative	ADJ
admet-2278	285	15	influence	influence	NOUN
admet-2278	285	16	on	on	ADP
admet-2278	285	17	the	the	DET
admet-2278	285	18	µeff7.4	µeff7.4	NUM
admet-2278	285	19	values	value	NOUN
admet-2278	285	20	.	.	PUNCT
admet-2278	286	1	3d	3d	NUM
admet-2278	286	2	-	-	PUNCT
admet-2278	286	3	morse	morse	NOUN
admet-2278	286	4	descriptors	descriptor	NOUN
admet-2278	286	5	(	(	PUNCT
admet-2278	286	6	mor28s	mor28s	NOUN
admet-2278	286	7	)	)	PUNCT
admet-2278	286	8	represent	represent	VERB
admet-2278	286	9	the	the	DET
admet-2278	286	10	3d	3d	NUM
admet-2278	286	11	structure	structure	NOUN
admet-2278	286	12	of	of	ADP
admet-2278	286	13	molecules	molecule	NOUN
admet-2278	286	14	based	base	VERB
admet-2278	286	15	on	on	ADP
admet-2278	286	16	electron	electron	NOUN
admet-2278	286	17	diffraction	diffraction	NOUN
admet-2278	287	1	[	[	X
admet-2278	287	2	48	48	NUM
admet-2278	287	3	]	]	PUNCT
admet-2278	287	4	.	.	PUNCT
admet-2278	288	1	mor28s	mor28s	NOUN
admet-2278	288	2	is	be	AUX
admet-2278	288	3	a	a	DET
admet-2278	288	4	signal	signal	NOUN
admet-2278	288	5	28	28	NUM
admet-2278	288	6	/	/	SYM
admet-2278	288	7	weighted	weight	VERB
admet-2278	288	8	by	by	ADP
admet-2278	288	9	i	i	PROPN
admet-2278	288	10	-	-	PUNCT
admet-2278	288	11	state	state	NOUN
admet-2278	288	12	and	and	CCONJ
admet-2278	288	13	,	,	PUNCT
admet-2278	288	14	in	in	ADP
admet-2278	288	15	contrast	contrast	NOUN
admet-2278	288	16	to	to	ADP
admet-2278	288	17	the	the	DET
admet-2278	288	18	getaway	getaway	NOUN
admet-2278	288	19	descriptors	descriptor	NOUN
admet-2278	288	20	,	,	PUNCT
admet-2278	288	21	has	have	VERB
admet-2278	288	22	a	a	DET
admet-2278	288	23	positive	positive	ADJ
admet-2278	288	24	influence	influence	NOUN
admet-2278	288	25	on	on	ADP
admet-2278	288	26	the	the	DET
admet-2278	288	27	µeff7.4	µeff7.4	NUM
admet-2278	288	28	parameter	parameter	NOUN
admet-2278	288	29	(	(	PUNCT
admet-2278	288	30	equation	equation	NOUN
admet-2278	288	31	19	19	NUM
admet-2278	288	32	)	)	PUNCT
admet-2278	288	33	.	.	PUNCT
admet-2278	289	1	all	all	DET
admet-2278	289	2	molecular	molecular	ADJ
admet-2278	289	3	descriptors	descriptor	NOUN
admet-2278	289	4	selected	select	VERB
admet-2278	289	5	with	with	ADP
admet-2278	289	6	the	the	DET
admet-2278	289	7	mlr	mlr	NOUN
admet-2278	289	8	-	-	PUNCT
admet-2278	289	9	qsrr	qsrr	PROPN
admet-2278	289	10	(	(	PUNCT
admet-2278	289	11	log	log	NOUN
admet-2278	289	12	kw9.1	kw9.1	NOUN
admet-2278	289	13	)	)	PUNCT
admet-2278	289	14	model	model	NOUN
admet-2278	289	15	(	(	PUNCT
admet-2278	289	16	equation	equation	NOUN
admet-2278	289	17	(	(	PUNCT
admet-2278	289	18	15	15	NUM
admet-2278	289	19	)	)	PUNCT
admet-2278	289	20	)	)	PUNCT
admet-2278	289	21	have	have	VERB
admet-2278	289	22	a	a	DET
admet-2278	289	23	positive	positive	ADJ
admet-2278	289	24	influence	influence	NOUN
admet-2278	289	25	on	on	ADP
admet-2278	289	26	log	log	NOUN
admet-2278	289	27	kw9.1	kw9.1	PUNCT
admet-2278	289	28	and	and	CCONJ
admet-2278	289	29	belong	belong	VERB
admet-2278	289	30	to	to	ADP
admet-2278	289	31	constitutional	constitutional	ADJ
admet-2278	289	32	indices	index	NOUN
admet-2278	289	33	,	,	PUNCT
admet-2278	289	34	burden	burden	NOUN
admet-2278	289	35	eigenvalues	eigenvalue	NOUN
admet-2278	289	36	and	and	CCONJ
admet-2278	289	37	molecular	molecular	ADJ
admet-2278	289	38	properties	property	NOUN
admet-2278	289	39	classes	class	NOUN
admet-2278	289	40	of	of	ADP
admet-2278	289	41	descriptors	descriptor	NOUN
admet-2278	289	42	(	(	PUNCT
admet-2278	289	43	table	table	NOUN
admet-2278	289	44	5	5	NUM
admet-2278	289	45	)	)	PUNCT
admet-2278	289	46	.	.	PUNCT
admet-2278	290	1	constitutional	constitutional	ADJ
admet-2278	290	2	descriptors	descriptor	NOUN
admet-2278	290	3	such	such	ADJ
admet-2278	290	4	as	as	ADP
admet-2278	290	5	the	the	DET
admet-2278	290	6	selected	select	VERB
admet-2278	290	7	nbm	nbm	PROPN
admet-2278	290	8	(	(	PUNCT
admet-2278	290	9	number	number	NOUN
admet-2278	290	10	of	of	ADP
admet-2278	290	11	multiple	multiple	ADJ
admet-2278	290	12	bonds	bond	NOUN
admet-2278	290	13	)	)	PUNCT
admet-2278	290	14	,	,	PUNCT
admet-2278	290	15	which	which	PRON
admet-2278	290	16	counts	count	VERB
admet-2278	290	17	a	a	DET
admet-2278	290	18	molecule	molecule	NOUN
admet-2278	290	19	's	's	PART
admet-2278	290	20	double	double	ADJ
admet-2278	290	21	,	,	PUNCT
admet-2278	290	22	triple	triple	ADJ
admet-2278	290	23	and	and	CCONJ
admet-2278	290	24	aromatic	aromatic	ADJ
admet-2278	290	25	bonds	bond	NOUN
admet-2278	290	26	,	,	PUNCT
admet-2278	290	27	are	be	AUX
admet-2278	290	28	the	the	DET
admet-2278	290	29	simplest	simple	ADJ
admet-2278	290	30	and	and	CCONJ
admet-2278	290	31	most	most	ADV
admet-2278	290	32	commonly	commonly	ADV
admet-2278	290	33	used	use	VERB
admet-2278	290	34	descriptors	descriptor	NOUN
admet-2278	290	35	.	.	PUNCT
admet-2278	291	1	they	they	PRON
admet-2278	291	2	represent	represent	VERB
admet-2278	291	3	the	the	DET
admet-2278	291	4	chemical	chemical	NOUN
admet-2278	291	5	composition	composition	NOUN
admet-2278	291	6	of	of	ADP
admet-2278	291	7	a	a	DET
admet-2278	291	8	compound	compound	NOUN
admet-2278	291	9	without	without	ADP
admet-2278	291	10	information	information	NOUN
admet-2278	291	11	about	about	ADP
admet-2278	291	12	the	the	DET
admet-2278	291	13	molecular	molecular	ADJ
admet-2278	291	14	geometry	geometry	NOUN
admet-2278	291	15	or	or	CCONJ
admet-2278	291	16	the	the	DET
admet-2278	291	17	connectivity	connectivity	NOUN
admet-2278	291	18	of	of	ADP
admet-2278	291	19	the	the	DET
admet-2278	291	20	atoms	atom	NOUN
admet-2278	291	21	[	[	X
admet-2278	291	22	29	29	NUM
admet-2278	291	23	]	]	PUNCT
admet-2278	291	24	.	.	PUNCT
admet-2278	292	1	spmin6_bh(p	spmin6_bh(p	NOUN
admet-2278	292	2	)	)	PUNCT
admet-2278	292	3	is	be	AUX
admet-2278	292	4	the	the	DET
admet-2278	292	5	smallest	small	ADJ
admet-2278	292	6	eigenvalue	eigenvalue	NOUN
admet-2278	292	7	n.6	n.6	NOUN
admet-2278	292	8	of	of	ADP
admet-2278	292	9	the	the	DET
admet-2278	292	10	burden	burden	NOUN
admet-2278	292	11	matrix	matrix	NOUN
admet-2278	292	12	weighted	weight	VERB
admet-2278	292	13	by	by	ADP
admet-2278	292	14	polarizability	polarizability	NOUN
admet-2278	292	15	and	and	CCONJ
admet-2278	292	16	belongs	belong	VERB
admet-2278	292	17	to	to	ADP
admet-2278	292	18	the	the	DET
admet-2278	292	19	class	class	NOUN
admet-2278	292	20	of	of	ADP
admet-2278	292	21	burden	burden	NOUN
admet-2278	292	22	eigenvalue	eigenvalue	NOUN
admet-2278	292	23	descriptors	descriptor	NOUN
admet-2278	292	24	.	.	PUNCT
admet-2278	293	1	the	the	DET
admet-2278	293	2	lipophilicity	lipophilicity	NOUN
admet-2278	293	3	of	of	ADP
admet-2278	293	4	compounds	compound	NOUN
admet-2278	293	5	at	at	ADP
admet-2278	293	6	ph	ph	PROPN
admet-2278	293	7	9.1	9.1	NUM
admet-2278	293	8	(	(	PUNCT
admet-2278	293	9	log	log	NOUN
admet-2278	293	10	d9.1	d9.1	PROPN
admet-2278	293	11	)	)	PUNCT
admet-2278	294	1	[	[	X
admet-2278	294	2	28	28	NUM
admet-2278	294	3	]	]	PUNCT
admet-2278	294	4	appears	appear	VERB
admet-2278	294	5	again	again	ADV
admet-2278	294	6	as	as	ADP
admet-2278	294	7	an	an	DET
admet-2278	294	8	important	important	ADJ
admet-2278	294	9	molecular	molecular	ADJ
admet-2278	294	10	property	property	NOUN
admet-2278	294	11	considering	consider	VERB
admet-2278	294	12	all	all	DET
admet-2278	294	13	forms	form	NOUN
admet-2278	294	14	of	of	ADP
admet-2278	294	15	the	the	DET
admet-2278	294	16	molecule	molecule	NOUN
admet-2278	294	17	(	(	PUNCT
admet-2278	294	18	ionised	ionised	ADJ
admet-2278	294	19	and	and	CCONJ
admet-2278	294	20	unionised	unionised	ADJ
admet-2278	294	21	)	)	PUNCT
admet-2278	294	22	,	,	PUNCT
admet-2278	294	23	and	and	CCONJ
admet-2278	294	24	its	its	PRON
admet-2278	294	25	high	high	ADJ
admet-2278	294	26	positive	positive	ADJ
admet-2278	294	27	correlation	correlation	NOUN
admet-2278	294	28	with	with	ADP
admet-2278	294	29	log	log	PROPN
admet-2278	294	30	kw9.1	kw9.1	PROPN
admet-2278	294	31	suggests	suggest	VERB
admet-2278	294	32	that	that	SCONJ
admet-2278	294	33	more	more	ADJ
admet-2278	294	34	lipophilic	lipophilic	ADJ
admet-2278	294	35	compounds	compound	NOUN
admet-2278	294	36	have	have	VERB
admet-2278	294	37	a	a	DET
admet-2278	294	38	higher	high	ADJ
admet-2278	294	39	affinity	affinity	NOUN
admet-2278	294	40	for	for	ADP
admet-2278	294	41	the	the	DET
admet-2278	294	42	apolar	apolar	ADJ
admet-2278	294	43	stationary	stationary	ADJ
admet-2278	294	44	phase	phase	NOUN
admet-2278	294	45	and	and	CCONJ
admet-2278	294	46	greater	great	ADJ
admet-2278	294	47	retention	retention	NOUN
admet-2278	294	48	in	in	ADP
admet-2278	294	49	hplc	hplc	NOUN
admet-2278	294	50	.	.	PUNCT
admet-2278	295	1	in	in	ADP
admet-2278	295	2	capillary	capillary	ADJ
admet-2278	295	3	electrophoresis	electrophoresis	NOUN
admet-2278	295	4	at	at	ADP
admet-2278	295	5	ph	ph	PROPN
admet-2278	295	6	9.1	9.1	NUM
admet-2278	295	7	,	,	PUNCT
admet-2278	295	8	the	the	DET
admet-2278	295	9	descriptors	descriptor	NOUN
admet-2278	295	10	selected	select	VERB
admet-2278	295	11	using	use	VERB
admet-2278	295	12	the	the	DET
admet-2278	295	13	mlr	mlr	NOUN
admet-2278	295	14	method	method	NOUN
admet-2278	295	15	(	(	PUNCT
admet-2278	295	16	equation	equation	NOUN
admet-2278	295	17	(	(	PUNCT
admet-2278	295	18	21	21	NUM
admet-2278	295	19	)	)	PUNCT
admet-2278	295	20	)	)	PUNCT
admet-2278	295	21	belong	belong	VERB
admet-2278	295	22	to	to	ADP
admet-2278	295	23	the	the	DET
admet-2278	295	24	2d	2d	NUM
admet-2278	295	25	matrix	matrix	NOUN
admet-2278	295	26	-	-	PUNCT
admet-2278	295	27	based	base	VERB
admet-2278	295	28	descriptors	descriptor	NOUN
admet-2278	295	29	,	,	PUNCT
admet-2278	295	30	getaway	getaway	NOUN
admet-2278	295	31	,	,	PUNCT
admet-2278	295	32	edge	edge	NOUN
admet-2278	295	33	adjacency	adjacency	NOUN
admet-2278	295	34	indices	index	NOUN
admet-2278	295	35	and	and	CCONJ
admet-2278	295	36	quantum	quantum	ADJ
admet-2278	295	37	chemical	chemical	NOUN
admet-2278	295	38	descriptors	descriptor	NOUN
admet-2278	295	39	(	(	PUNCT
admet-2278	295	40	table	table	NOUN
admet-2278	295	41	6	6	NUM
admet-2278	295	42	)	)	PUNCT
admet-2278	295	43	.	.	PUNCT
admet-2278	296	1	sm15_ea(dm	sm15_ea(dm	PUNCT
admet-2278	296	2	)	)	PUNCT
admet-2278	297	1	is	be	AUX
admet-2278	297	2	the	the	DET
admet-2278	297	3	spectral	spectral	ADJ
admet-2278	297	4	moment	moment	NOUN
admet-2278	297	5	of	of	ADP
admet-2278	297	6	order	order	NOUN
admet-2278	297	7	15	15	NUM
admet-2278	297	8	from	from	ADP
admet-2278	297	9	the	the	DET
admet-2278	297	10	edge	edge	NOUN
admet-2278	297	11	adjacency	adjacency	NOUN
admet-2278	297	12	matrix	matrix	NOUN
admet-2278	297	13	,	,	PUNCT
admet-2278	297	14	weighted	weight	VERB
admet-2278	297	15	by	by	ADP
admet-2278	297	16	the	the	DET
admet-2278	297	17	dipole	dipole	NOUN
admet-2278	297	18	moment	moment	NOUN
admet-2278	297	19	,	,	PUNCT
admet-2278	297	20	and	and	CCONJ
admet-2278	297	21	is	be	AUX
admet-2278	297	22	the	the	DET
admet-2278	297	23	only	only	ADJ
admet-2278	297	24	descriptor	descriptor	NOUN
admet-2278	297	25	in	in	ADP
admet-2278	297	26	a	a	DET
admet-2278	297	27	model	model	NOUN
admet-2278	297	28	that	that	PRON
admet-2278	297	29	shows	show	VERB
admet-2278	297	30	a	a	DET
admet-2278	297	31	positive	positive	ADJ
admet-2278	297	32	correlation	correlation	NOUN
admet-2278	297	33	with	with	ADP
admet-2278	297	34	µeff9.1	µeff9.1	NOUN
admet-2278	297	35	.	.	PUNCT
admet-2278	298	1	in	in	ADP
admet-2278	298	2	contrast	contrast	NOUN
admet-2278	298	3	,	,	PUNCT
admet-2278	298	4	tosm15_ea(dm	tosm15_ea(dm	PROPN
admet-2278	298	5	)	)	PUNCT
admet-2278	298	6	,	,	PUNCT
admet-2278	298	7	sm1_dz(z	sm1_dz(z	PROPN
admet-2278	298	8	)	)	PUNCT
admet-2278	298	9	(	(	PUNCT
admet-2278	298	10	spectral	spectral	ADJ
admet-2278	298	11	moment	moment	NOUN
admet-2278	298	12	of	of	ADP
admet-2278	298	13	order	order	NOUN
admet-2278	298	14	1	1	NUM
admet-2278	298	15	from	from	ADP
admet-2278	298	16	the	the	DET
admet-2278	298	17	barysz	barysz	NOUN
admet-2278	298	18	matrix	matrix	NOUN
admet-2278	298	19	weighted	weight	VERB
admet-2278	298	20	by	by	ADP
admet-2278	298	21	atomic	atomic	ADJ
admet-2278	298	22	number	number	NOUN
admet-2278	298	23	)	)	PUNCT
admet-2278	298	24	belongs	belong	VERB
admet-2278	298	25	to	to	ADP
admet-2278	298	26	the	the	DET
admet-2278	298	27	2d	2d	NUM
admet-2278	298	28	matrix	matrix	NOUN
admet-2278	298	29	-	-	PUNCT
admet-2278	298	30	based	base	VERB
admet-2278	298	31	descriptors	descriptor	NOUN
admet-2278	298	32	.	.	PUNCT
admet-2278	299	1	ish	ish	VERB
admet-2278	299	2	(	(	PUNCT
admet-2278	299	3	standardised	standardised	ADJ
admet-2278	299	4	information	information	NOUN
admet-2278	299	5	content	content	NOUN
admet-2278	299	6	on	on	ADP
admet-2278	299	7	leverage	leverage	NOUN
admet-2278	299	8	equality	equality	NOUN
admet-2278	299	9	)	)	PUNCT
admet-2278	299	10	is	be	AUX
admet-2278	299	11	a	a	DET
admet-2278	299	12	class	class	NOUN
admet-2278	299	13	of	of	ADP
admet-2278	299	14	gatawey	gatawey	PROPN
admet-2278	299	15	descriptors	descriptor	NOUN
admet-2278	299	16	and	and	CCONJ
admet-2278	299	17	mainly	mainly	ADV
admet-2278	299	18	encodes	encode	VERB
admet-2278	299	19	information	information	NOUN
admet-2278	299	20	about	about	ADP
admet-2278	299	21	molecular	molecular	ADJ
admet-2278	299	22	symmetry	symmetry	NOUN
admet-2278	299	23	.	.	PUNCT
admet-2278	300	1	if	if	SCONJ
admet-2278	300	2	all	all	DET
admet-2278	300	3	atoms	atom	NOUN
admet-2278	300	4	have	have	VERB
admet-2278	300	5	different	different	ADJ
admet-2278	300	6	leverage	leverage	NOUN
admet-2278	300	7	values	value	NOUN
admet-2278	300	8	,	,	PUNCT
admet-2278	300	9	the	the	DET
admet-2278	300	10	molecule	molecule	NOUN
admet-2278	300	11	has	have	VERB
admet-2278	300	12	no	no	DET
admet-2278	300	13	symmetry	symmetry	NOUN
admet-2278	300	14	and	and	CCONJ
admet-2278	300	15	ish=1	ish=1	NOUN
admet-2278	300	16	,	,	PUNCT
admet-2278	300	17	otherwise	otherwise	ADV
admet-2278	300	18	a	a	DET
admet-2278	300	19	theoretically	theoretically	ADV
admet-2278	300	20	perfectly	perfectly	ADV
admet-2278	300	21	symmetric	symmetric	ADJ
admet-2278	300	22	molecule	molecule	NOUN
admet-2278	300	23	has	have	AUX
admet-2278	300	24	ish=0	ish=0	ADJ
admet-2278	300	25	.	.	PUNCT
admet-2278	301	1	in	in	ADP
admet-2278	301	2	the	the	DET
admet-2278	301	3	case	case	NOUN
admet-2278	301	4	of	of	ADP
admet-2278	301	5	the	the	DET
admet-2278	301	6	tested	test	VERB
admet-2278	301	7	compounds	compound	NOUN
admet-2278	301	8	,	,	PUNCT
admet-2278	301	9	all	all	PRON
admet-2278	301	10	ish	ish	VERB
admet-2278	301	11	values	value	NOUN
admet-2278	301	12	are	be	AUX
admet-2278	301	13	above	above	ADP
admet-2278	301	14	0.82	0.82	NUM
admet-2278	301	15	and	and	CCONJ
admet-2278	301	16	show	show	VERB
admet-2278	301	17	a	a	DET
admet-2278	301	18	negative	negative	ADJ
admet-2278	301	19	correlation	correlation	NOUN
admet-2278	301	20	with	with	ADP
admet-2278	301	21	electrophoretic	electrophoretic	ADJ
admet-2278	301	22	mobility	mobility	NOUN
admet-2278	301	23	,	,	PUNCT
admet-2278	301	24	suggesting	suggest	VERB
admet-2278	301	25	that	that	SCONJ
admet-2278	301	26	compounds	compound	VERB
admet-2278	301	27	with	with	ADP
admet-2278	301	28	a	a	DET
admet-2278	301	29	higher	high	ADJ
admet-2278	301	30	degree	degree	NOUN
admet-2278	301	31	of	of	ADP
admet-2278	301	32	symmetry	symmetry	NOUN
admet-2278	301	33	have	have	VERB
admet-2278	301	34	lower	low	ADJ
admet-2278	301	35	mobility	mobility	NOUN
admet-2278	301	36	under	under	ADP
admet-2278	301	37	the	the	DET
admet-2278	301	38	given	give	VERB
admet-2278	301	39	experimental	experimental	ADJ
admet-2278	301	40	conditions	condition	NOUN
admet-2278	301	41	of	of	ADP
admet-2278	301	42	background	background	NOUN
admet-2278	301	43	electrolyte	electrolyte	ADJ
admet-2278	301	44	ph	ph	PROPN
admet-2278	301	45	9.1	9.1	NUM
admet-2278	301	46	.	.	PUNCT
admet-2278	302	1	this	this	DET
admet-2278	302	2	https://doi.org/10.5599/admet.2278	https://doi.org/10.5599/admet.2278	PROPN
admet-2278	302	3	s.	s.	PROPN
admet-2278	302	4	oljacic	oljacic	VERB
admet-2278	302	5	et	et	PROPN
admet-2278	302	6	al	al	PROPN
admet-2278	302	7	.	.	PROPN
admet-2278	302	8	admet	admet	PROPN
admet-2278	302	9	&	&	CCONJ
admet-2278	302	10	dmpk	dmpk	PROPN
admet-2278	302	11	12(5	12(5	NUM
admet-2278	302	12	)	)	PUNCT
admet-2278	302	13	(	(	PUNCT
admet-2278	302	14	2024	2024	NUM
admet-2278	302	15	)	)	PUNCT
admet-2278	302	16	737	737	NUM
admet-2278	302	17	-	-	SYM
admet-2278	302	18	757	757	NUM
admet-2278	302	19	754	754	NUM
admet-2278	302	20	descriptor	descriptor	NOUN
admet-2278	302	21	also	also	ADV
admet-2278	302	22	provides	provide	VERB
admet-2278	302	23	information	information	NOUN
admet-2278	302	24	about	about	ADP
admet-2278	302	25	molecular	molecular	ADJ
admet-2278	302	26	entropy	entropy	NOUN
admet-2278	302	27	,	,	PUNCT
admet-2278	302	28	so	so	SCONJ
admet-2278	302	29	it	it	PRON
admet-2278	302	30	can	can	AUX
admet-2278	302	31	be	be	AUX
admet-2278	302	32	useful	useful	ADJ
admet-2278	302	33	in	in	ADP
admet-2278	302	34	modelling	model	VERB
admet-2278	302	35	physicochemical	physicochemical	ADJ
admet-2278	302	36	properties	property	NOUN
admet-2278	302	37	related	relate	VERB
admet-2278	302	38	to	to	ADP
admet-2278	302	39	entropy	entropy	NOUN
admet-2278	302	40	and	and	CCONJ
admet-2278	302	41	symmetry	symmetry	NOUN
admet-2278	303	1	[	[	X
admet-2278	303	2	47	47	NUM
admet-2278	303	3	]	]	PUNCT
admet-2278	303	4	.	.	PUNCT
admet-2278	304	1	the	the	DET
admet-2278	304	2	highest	high	ADJ
admet-2278	304	3	occupied	occupy	VERB
admet-2278	304	4	molecular	molecular	ADJ
admet-2278	304	5	orbital	orbital	ADJ
admet-2278	304	6	(	(	PUNCT
admet-2278	304	7	homo	homo	NOUN
admet-2278	304	8	)	)	PUNCT
admet-2278	304	9	energy	energy	NOUN
admet-2278	304	10	calculated	calculate	VERB
admet-2278	304	11	using	use	VERB
admet-2278	304	12	the	the	DET
admet-2278	304	13	b3lyp/3	b3lyp/3	NOUN
admet-2278	304	14	-	-	PUNCT
admet-2278	304	15	21g(d	21g(d	PROPN
admet-2278	304	16	,	,	PUNCT
admet-2278	304	17	p	p	NOUN
admet-2278	304	18	)	)	PUNCT
admet-2278	304	19	method	method	NOUN
admet-2278	304	20	[	[	X
admet-2278	304	21	27	27	NUM
admet-2278	304	22	]	]	PUNCT
admet-2278	304	23	is	be	AUX
admet-2278	304	24	negatively	negatively	ADV
admet-2278	304	25	correlated	correlate	VERB
admet-2278	304	26	with	with	ADP
admet-2278	304	27	µeff9.1	µeff9.1	PUNCT
admet-2278	304	28	(	(	PUNCT
admet-2278	304	29	equation	equation	NOUN
admet-2278	304	30	(	(	PUNCT
admet-2278	304	31	21	21	NUM
admet-2278	304	32	)	)	PUNCT
admet-2278	304	33	)	)	PUNCT
admet-2278	304	34	,	,	PUNCT
admet-2278	304	35	implying	imply	VERB
admet-2278	304	36	that	that	SCONJ
admet-2278	304	37	compounds	compound	VERB
admet-2278	304	38	with	with	ADP
admet-2278	304	39	a	a	DET
admet-2278	304	40	lower	low	ADJ
admet-2278	304	41	homo	homo	NOUN
admet-2278	304	42	energy	energy	NOUN
admet-2278	304	43	have	have	VERB
admet-2278	304	44	greater	great	ADJ
admet-2278	304	45	mobility	mobility	NOUN
admet-2278	304	46	because	because	SCONJ
admet-2278	304	47	they	they	PRON
admet-2278	304	48	interact	interact	VERB
admet-2278	304	49	less	less	ADV
admet-2278	304	50	with	with	ADP
admet-2278	304	51	positively	positively	ADV
admet-2278	304	52	charged	charge	VERB
admet-2278	304	53	buffer	buffer	NOUN
admet-2278	304	54	cations	cation	NOUN
admet-2278	304	55	against	against	ADP
admet-2278	304	56	the	the	DET
admet-2278	304	57	wall	wall	NOUN
admet-2278	304	58	of	of	ADP
admet-2278	304	59	the	the	DET
admet-2278	304	60	capillary	capillary	ADJ
admet-2278	304	61	.	.	PUNCT
admet-2278	305	1	conclusions	conclusion	NOUN
admet-2278	305	2	evaluation	evaluation	NOUN
admet-2278	305	3	of	of	ADP
admet-2278	305	4	the	the	DET
admet-2278	305	5	chromatographic	chromatographic	ADJ
admet-2278	305	6	and	and	CCONJ
admet-2278	305	7	electrophoretic	electrophoretic	ADJ
admet-2278	305	8	behaviour	behaviour	NOUN
admet-2278	305	9	of	of	ADP
admet-2278	305	10	a	a	DET
admet-2278	305	11	series	series	NOUN
admet-2278	305	12	of	of	ADP
admet-2278	305	13	29	29	NUM
admet-2278	305	14	imidazoline	imidazoline	NOUN
admet-2278	305	15	and	and	CCONJ
admet-2278	305	16	alpha	alpha	NOUN
admet-2278	305	17	adrenergic	adrenergic	NOUN
admet-2278	305	18	receptors	receptor	NOUN
admet-2278	305	19	ligands	ligand	NOUN
admet-2278	305	20	at	at	ADP
admet-2278	305	21	ph	ph	PROPN
admet-2278	305	22	4.4	4.4	NUM
admet-2278	305	23	,	,	PUNCT
admet-2278	305	24	7.4	7.4	NUM
admet-2278	305	25	,	,	PUNCT
admet-2278	305	26	and	and	CCONJ
admet-2278	305	27	9.1	9.1	NUM
admet-2278	305	28	using	use	VERB
admet-2278	305	29	qsrr	qsrr	NOUN
admet-2278	305	30	and	and	CCONJ
admet-2278	305	31	qsmr	qsmr	NOUN
admet-2278	305	32	models	model	NOUN
admet-2278	305	33	allows	allow	VERB
admet-2278	305	34	several	several	ADJ
admet-2278	305	35	conclusions	conclusion	NOUN
admet-2278	305	36	to	to	PART
admet-2278	305	37	be	be	AUX
admet-2278	305	38	drawn	draw	VERB
admet-2278	305	39	.	.	PUNCT
admet-2278	306	1	when	when	SCONJ
admet-2278	306	2	comparing	compare	VERB
admet-2278	306	3	the	the	DET
admet-2278	306	4	statistical	statistical	ADJ
admet-2278	306	5	pls	pls	NOUN
admet-2278	306	6	and	and	CCONJ
admet-2278	306	7	mlr	mlr	NOUN
admet-2278	306	8	methods	method	NOUN
admet-2278	306	9	used	use	VERB
admet-2278	306	10	for	for	ADP
admet-2278	306	11	model	model	NOUN
admet-2278	306	12	building	building	NOUN
admet-2278	306	13	,	,	PUNCT
admet-2278	306	14	it	it	PRON
admet-2278	306	15	is	be	AUX
admet-2278	306	16	not	not	PART
admet-2278	306	17	possible	possible	ADJ
admet-2278	306	18	to	to	PART
admet-2278	306	19	give	give	VERB
admet-2278	306	20	preference	preference	NOUN
admet-2278	306	21	to	to	ADP
admet-2278	306	22	only	only	ADV
admet-2278	306	23	one	one	NUM
admet-2278	306	24	method	method	NOUN
admet-2278	306	25	,	,	PUNCT
admet-2278	306	26	as	as	SCONJ
admet-2278	306	27	the	the	DET
admet-2278	306	28	optimal	optimal	ADJ
admet-2278	306	29	models	model	NOUN
admet-2278	306	30	were	be	AUX
admet-2278	306	31	formed	form	VERB
admet-2278	306	32	by	by	ADP
admet-2278	306	33	both	both	PRON
admet-2278	306	34	.	.	PUNCT
admet-2278	307	1	all	all	DET
admet-2278	307	2	selected	select	VERB
admet-2278	307	3	qsrr	qsrr	NOUN
admet-2278	307	4	models	model	NOUN
admet-2278	307	5	:	:	PUNCT
admet-2278	307	6	pls	pls	ADJ
admet-2278	307	7	-	-	PUNCT
admet-2278	307	8	qsrr	qsrr	PROPN
admet-2278	307	9	(	(	PUNCT
admet-2278	307	10	log	log	NOUN
admet-2278	307	11	kw4.4	kw4.4	VERB
admet-2278	307	12	)	)	PUNCT
admet-2278	307	13	,	,	PUNCT
admet-2278	307	14	pls	pls	NOUN
admet-2278	307	15	-	-	PUNCT
admet-2278	307	16	qsrr	qsrr	NOUN
admet-2278	307	17	(	(	PUNCT
admet-2278	307	18	log	log	NOUN
admet-2278	307	19	kw7.4	kw7.4	VERB
admet-2278	307	20	)	)	PUNCT
admet-2278	307	21	,	,	PUNCT
admet-2278	307	22	mlr	mlr	NOUN
admet-2278	307	23	-	-	PUNCT
admet-2278	307	24	qsrr	qsrr	PROPN
admet-2278	307	25	(	(	PUNCT
admet-2278	307	26	log	log	NOUN
admet-2278	307	27	kw9.1	kw9.1	NUM
admet-2278	307	28	)	)	PUNCT
admet-2278	307	29	and	and	CCONJ
admet-2278	307	30	qsmr	qsmr	NOUN
admet-2278	307	31	models	model	NOUN
admet-2278	307	32	:	:	PUNCT
admet-2278	307	33	pls	pls	NOUN
admet-2278	307	34	-	-	PUNCT
admet-2278	307	35	qsmr	qsmr	NOUN
admet-2278	307	36	(	(	PUNCT
admet-2278	307	37	μeff4.4	μeff4.4	NUM
admet-2278	307	38	)	)	PUNCT
admet-2278	307	39	,	,	PUNCT
admet-2278	307	40	mlr	mlr	NOUN
admet-2278	307	41	-	-	PUNCT
admet-2278	307	42	qsmr	qsmr	NOUN
admet-2278	307	43	(	(	PUNCT
admet-2278	307	44	μeff7.4	μeff7.4	NUM
admet-2278	307	45	)	)	PUNCT
admet-2278	307	46	,	,	PUNCT
admet-2278	307	47	mlr	mlr	NOUN
admet-2278	307	48	-	-	PUNCT
admet-2278	307	49	qsmr	qsmr	NOUN
admet-2278	307	50	(	(	PUNCT
admet-2278	307	51	μeff9.1	μeff9.1	NUM
admet-2278	307	52	)	)	PUNCT
admet-2278	307	53	displayed	display	VERB
admet-2278	307	54	high	high	ADJ
admet-2278	307	55	accuracy	accuracy	NOUN
admet-2278	307	56	in	in	ADP
admet-2278	307	57	retention	retention	NOUN
admet-2278	307	58	/	/	SYM
admet-2278	307	59	migration	migration	NOUN
admet-2278	307	60	prediction	prediction	NOUN
admet-2278	307	61	for	for	ADP
admet-2278	307	62	internal	internal	ADJ
admet-2278	307	63	and	and	CCONJ
admet-2278	307	64	external	external	ADJ
admet-2278	307	65	test	test	NOUN
admet-2278	307	66	set	set	VERB
admet-2278	307	67	compounds	compound	NOUN
admet-2278	307	68	.	.	PUNCT
admet-2278	308	1	based	base	VERB
admet-2278	308	2	on	on	ADP
admet-2278	308	3	the	the	DET
admet-2278	308	4	established	establish	VERB
admet-2278	308	5	qsrr	qsrr	NOUN
admet-2278	308	6	and	and	CCONJ
admet-2278	308	7	qsmr	qsmr	NOUN
admet-2278	308	8	models	model	NOUN
admet-2278	308	9	,	,	PUNCT
admet-2278	308	10	it	it	PRON
admet-2278	308	11	can	can	AUX
admet-2278	308	12	be	be	AUX
admet-2278	308	13	seen	see	VERB
admet-2278	308	14	that	that	SCONJ
admet-2278	308	15	different	different	ADJ
admet-2278	308	16	classes	class	NOUN
admet-2278	308	17	of	of	ADP
admet-2278	308	18	descriptors	descriptor	NOUN
admet-2278	308	19	appear	appear	VERB
admet-2278	308	20	in	in	ADP
admet-2278	308	21	the	the	DET
admet-2278	308	22	models	model	NOUN
admet-2278	308	23	created	create	VERB
admet-2278	308	24	at	at	ADP
admet-2278	308	25	different	different	ADJ
admet-2278	308	26	ph	ph	ADJ
admet-2278	308	27	values	value	NOUN
admet-2278	308	28	and	and	CCONJ
admet-2278	308	29	for	for	ADP
admet-2278	308	30	different	different	ADJ
admet-2278	308	31	analytical	analytical	ADJ
admet-2278	308	32	systems	system	NOUN
admet-2278	308	33	,	,	PUNCT
admet-2278	308	34	such	such	ADJ
admet-2278	308	35	as	as	ADP
admet-2278	308	36	hplc	hplc	NOUN
admet-2278	308	37	and	and	CCONJ
admet-2278	308	38	ce	ce	PROPN
admet-2278	308	39	.	.	PROPN
admet-2278	308	40	chemical	chemical	PROPN
admet-2278	308	41	composition	composition	NOUN
admet-2278	308	42	of	of	ADP
admet-2278	308	43	compounds	compound	NOUN
admet-2278	308	44	,	,	PUNCT
admet-2278	308	45	lipophilicity	lipophilicity	NOUN
admet-2278	308	46	,	,	PUNCT
admet-2278	308	47	and	and	CCONJ
admet-2278	308	48	voluminosity	voluminosity	NOUN
admet-2278	308	49	have	have	VERB
admet-2278	308	50	the	the	DET
admet-2278	308	51	strongest	strong	ADJ
admet-2278	308	52	influence	influence	NOUN
admet-2278	308	53	on	on	ADP
admet-2278	308	54	the	the	DET
admet-2278	308	55	retention	retention	NOUN
admet-2278	308	56	mechanism	mechanism	NOUN
admet-2278	308	57	,	,	PUNCT
admet-2278	308	58	while	while	SCONJ
admet-2278	308	59	molecular	molecular	ADJ
admet-2278	308	60	size	size	NOUN
admet-2278	308	61	,	,	PUNCT
admet-2278	308	62	mass	mass	NOUN
admet-2278	308	63	,	,	PUNCT
admet-2278	308	64	complexity	complexity	NOUN
admet-2278	308	65	,	,	PUNCT
admet-2278	308	66	charge	charge	NOUN
admet-2278	308	67	and	and	CCONJ
admet-2278	308	68	electronic	electronic	ADJ
admet-2278	308	69	properties	property	NOUN
admet-2278	308	70	are	be	AUX
admet-2278	308	71	valuable	valuable	ADJ
admet-2278	308	72	structural	structural	ADJ
admet-2278	308	73	determinants	determinant	NOUN
admet-2278	308	74	for	for	ADP
admet-2278	308	75	the	the	DET
admet-2278	308	76	electrophoretic	electrophoretic	ADJ
admet-2278	308	77	mobility	mobility	NOUN
admet-2278	308	78	of	of	ADP
admet-2278	308	79	the	the	DET
admet-2278	308	80	examined	examine	VERB
admet-2278	308	81	ligands	ligand	NOUN
admet-2278	308	82	.	.	PUNCT
admet-2278	309	1	the	the	DET
admet-2278	309	2	created	create	VERB
admet-2278	309	3	qsrr	qsrr	NOUN
admet-2278	309	4	and	and	CCONJ
admet-2278	309	5	qsmr	qsmr	NOUN
admet-2278	309	6	models	model	NOUN
admet-2278	309	7	are	be	AUX
admet-2278	309	8	a	a	DET
admet-2278	309	9	very	very	ADV
admet-2278	309	10	useful	useful	ADJ
admet-2278	309	11	predictive	predictive	ADJ
admet-2278	309	12	tools	tool	NOUN
admet-2278	309	13	for	for	ADP
admet-2278	309	14	retention	retention	NOUN
admet-2278	309	15	and	and	CCONJ
admet-2278	309	16	electrophoretic	electrophoretic	ADJ
admet-2278	309	17	behaviour	behaviour	NOUN
admet-2278	309	18	of	of	ADP
admet-2278	309	19	new	new	ADJ
admet-2278	309	20	imidazoline	imidazoline	NOUN
admet-2278	309	21	/	/	SYM
admet-2278	309	22	alpha	alpha	NOUN
admet-2278	309	23	adrenergic	adrenergic	ADJ
admet-2278	309	24	receptors	receptor	NOUN
admet-2278	309	25	ligands	ligand	NOUN
admet-2278	309	26	at	at	ADP
admet-2278	309	27	three	three	NUM
admet-2278	309	28	ph	ph	ADJ
admet-2278	309	29	values	value	NOUN
admet-2278	309	30	,	,	PUNCT
admet-2278	309	31	which	which	PRON
admet-2278	309	32	could	could	AUX
admet-2278	309	33	be	be	AUX
admet-2278	309	34	used	use	VERB
admet-2278	309	35	not	not	PART
admet-2278	309	36	only	only	ADV
admet-2278	309	37	during	during	ADP
admet-2278	309	38	the	the	DET
admet-2278	309	39	rp	rp	NOUN
admet-2278	309	40	-	-	PUNCT
admet-2278	309	41	hplc	hplc	NOUN
admet-2278	309	42	/	/	SYM
admet-2278	309	43	ce	ce	PROPN
admet-2278	309	44	method	method	PROPN
admet-2278	309	45	development	development	NOUN
admet-2278	309	46	but	but	CCONJ
admet-2278	309	47	also	also	ADV
admet-2278	309	48	in	in	ADP
admet-2278	309	49	the	the	DET
admet-2278	309	50	initial	initial	ADJ
admet-2278	309	51	phase	phase	NOUN
admet-2278	309	52	of	of	ADP
admet-2278	309	53	design	design	NOUN
admet-2278	309	54	of	of	ADP
admet-2278	309	55	novel	novel	ADJ
admet-2278	309	56	imidazoline	imidazoline	NOUN
admet-2278	309	57	and	and	CCONJ
admet-2278	309	58	alpha	alpha	NOUN
admet-2278	309	59	adrenergic	adrenergic	NOUN
admet-2278	309	60	receptors	receptor	NOUN
admet-2278	309	61	ligands	ligand	NOUN
admet-2278	309	62	with	with	ADP
admet-2278	309	63	optimized	optimize	VERB
admet-2278	309	64	physicochemical	physicochemical	ADJ
admet-2278	309	65	properties	property	NOUN
admet-2278	309	66	,	,	PUNCT
admet-2278	309	67	such	such	ADJ
admet-2278	309	68	as	as	ADP
admet-2278	309	69	lipophilicity	lipophilicity	NOUN
admet-2278	309	70	(	(	PUNCT
admet-2278	309	71	log	log	VERB
admet-2278	309	72	kw	kw	NUM
admet-2278	309	73	values	value	NOUN
admet-2278	309	74	)	)	PUNCT
admet-2278	309	75	and	and	CCONJ
admet-2278	309	76	charge	charge	NOUN
admet-2278	309	77	-	-	PUNCT
admet-2278	309	78	to	to	ADP
admet-2278	309	79	-	-	PUNCT
admet-2278	309	80	mass	mass	NOUN
admet-2278	309	81	characteristics	characteristic	NOUN
admet-2278	309	82	(	(	PUNCT
admet-2278	309	83	µeff	µeff	PROPN
admet-2278	309	84	values	value	NOUN
admet-2278	309	85	)	)	PUNCT
admet-2278	309	86	.	.	PUNCT
admet-2278	310	1	acknowledgements	acknowledgement	NOUN
admet-2278	310	2	:	:	PUNCT
admet-2278	310	3	this	this	DET
admet-2278	310	4	research	research	NOUN
admet-2278	310	5	was	be	AUX
admet-2278	310	6	funded	fund	VERB
admet-2278	310	7	by	by	ADP
admet-2278	310	8	the	the	DET
admet-2278	310	9	ministry	ministry	PROPN
admet-2278	310	10	of	of	ADP
admet-2278	310	11	science	science	PROPN
admet-2278	310	12	,	,	PUNCT
admet-2278	310	13	technological	technological	ADJ
admet-2278	310	14	development	development	NOUN
admet-2278	310	15	and	and	CCONJ
admet-2278	310	16	innovation	innovation	NOUN
admet-2278	310	17	,	,	PUNCT
admet-2278	310	18	republic	republic	NOUN
admet-2278	310	19	of	of	ADP
admet-2278	310	20	serbia	serbia	PROPN
admet-2278	310	21	,	,	PUNCT
admet-2278	310	22	through	through	ADP
admet-2278	310	23	grant	grant	NOUN
admet-2278	310	24	agreement	agreement	NOUN
admet-2278	310	25	with	with	ADP
admet-2278	310	26	university	university	PROPN
admet-2278	310	27	of	of	ADP
admet-2278	310	28	belgrade	belgrade	PROPN
admet-2278	310	29	(	(	PUNCT
admet-2278	310	30	faculty	faculty	NOUN
admet-2278	310	31	of	of	ADP
admet-2278	310	32	pharmacy	pharmacy	NOUN
admet-2278	310	33	)	)	PUNCT
admet-2278	310	34	,	,	PUNCT
admet-2278	310	35	no	no	DET
admet-2278	310	36	451	451	NUM
admet-2278	310	37	-	-	PUNCT
admet-2278	310	38	03	03	NUM
admet-2278	310	39	-	-	PUNCT
admet-2278	310	40	65/2024	65/2024	NUM
admet-2278	310	41	-	-	PUNCT
admet-2278	310	42	03/	03/	NOUN
admet-2278	310	43	200161	200161	NUM
admet-2278	310	44	and	and	CCONJ
admet-2278	310	45	no	no	DET
admet-2278	310	46	451	451	NUM
admet-2278	310	47	-	-	PUNCT
admet-2278	310	48	03	03	NUM
admet-2278	310	49	-	-	PUNCT
admet-2278	310	50	66/2024	66/2024	NUM
admet-2278	310	51	-	-	PUNCT
admet-2278	310	52	03/	03/	NOUN
admet-2278	310	53	200161	200161	NUM
admet-2278	310	54	,	,	PUNCT
admet-2278	310	55	and	and	CCONJ
admet-2278	310	56	by	by	ADP
admet-2278	310	57	the	the	DET
admet-2278	310	58	slovenian	slovenian	ADJ
admet-2278	310	59	research	research	PROPN
admet-2278	310	60	and	and	CCONJ
admet-2278	310	61	innovation	innovation	NOUN
admet-2278	310	62	agency	agency	PROPN
admet-2278	310	63	(	(	PUNCT
admet-2278	310	64	aris	aris	PROPN
admet-2278	310	65	;	;	PUNCT
admet-2278	310	66	research	research	NOUN
admet-2278	310	67	core	core	NOUN
admet-2278	310	68	funding	funding	NOUN
admet-2278	310	69	no	no	INTJ
admet-2278	310	70	.	.	PUNCT
admet-2278	311	1	p1	p1	NOUN
admet-2278	311	2	-	-	PUNCT
admet-2278	311	3	0005	0005	NUM
admet-2278	311	4	)	)	PUNCT
admet-2278	311	5	.	.	PUNCT
admet-2278	312	1	conflict	conflict	NOUN
admet-2278	312	2	of	of	ADP
admet-2278	312	3	interest	interest	NOUN
admet-2278	312	4	:	:	PUNCT
admet-2278	312	5	the	the	DET
admet-2278	312	6	authors	author	NOUN
admet-2278	312	7	declare	declare	VERB
admet-2278	312	8	no	no	DET
admet-2278	312	9	conflict	conflict	NOUN
admet-2278	312	10	of	of	ADP
admet-2278	312	11	interest	interest	NOUN
admet-2278	312	12	.	.	PUNCT
admet-2278	313	1	references	reference	NOUN
admet-2278	313	2	[	[	X
admet-2278	313	3	1	1	NUM
admet-2278	313	4	]	]	PUNCT
admet-2278	313	5	c.	c.	PROPN
admet-2278	313	6	dardonville	dardonville	PROPN
admet-2278	313	7	,	,	PUNCT
admet-2278	313	8	i.	i.	PROPN
admet-2278	313	9	rozas	rozas	PROPN
admet-2278	313	10	.	.	PUNCT
admet-2278	314	1	imidazoline	imidazoline	NOUN
admet-2278	314	2	binding	bind	VERB
admet-2278	314	3	sites	site	NOUN
admet-2278	314	4	and	and	CCONJ
admet-2278	314	5	their	their	PRON
admet-2278	314	6	ligands	ligand	NOUN
admet-2278	314	7	:	:	PUNCT
admet-2278	314	8	an	an	DET
admet-2278	314	9	overview	overview	NOUN
admet-2278	314	10	of	of	ADP
admet-2278	314	11	the	the	DET
admet-2278	314	12	different	different	ADJ
admet-2278	314	13	chemical	chemical	NOUN
admet-2278	314	14	structures	structure	NOUN
admet-2278	314	15	.	.	PUNCT
admet-2278	315	1	medicinal	medicinal	ADJ
admet-2278	315	2	research	research	NOUN
admet-2278	315	3	reviews	review	NOUN
admet-2278	315	4	24	24	NUM
admet-2278	315	5	(	(	PUNCT
admet-2278	315	6	2004	2004	NUM
admet-2278	315	7	)	)	PUNCT
admet-2278	315	8	639	639	NUM
admet-2278	315	9	-	-	SYM
admet-2278	315	10	661	661	NUM
admet-2278	315	11	.	.	PUNCT
admet-2278	316	1	https://doi.org/10.1002/med.20007	https://doi.org/10.1002/med.20007	PRON
admet-2278	316	2	[	[	X
admet-2278	316	3	2	2	NUM
admet-2278	316	4	]	]	X
admet-2278	316	5	g.a	g.a	PROPN
admet-2278	316	6	.	.	PROPN
admet-2278	316	7	head	head	PROPN
admet-2278	316	8	,	,	PUNCT
admet-2278	316	9	d.n	d.n	PROPN
admet-2278	316	10	.	.	PROPN
admet-2278	316	11	mayorov	mayorov	NOUN
admet-2278	316	12	.	.	PUNCT
admet-2278	317	1	imidazoline	imidazoline	NOUN
admet-2278	317	2	receptors	receptor	NOUN
admet-2278	317	3	,	,	PUNCT
admet-2278	317	4	novel	novel	ADJ
admet-2278	317	5	agents	agent	NOUN
admet-2278	317	6	and	and	CCONJ
admet-2278	317	7	therapeutic	therapeutic	ADJ
admet-2278	317	8	potential	potential	NOUN
admet-2278	317	9	.	.	PUNCT
admet-2278	318	1	hematological	hematological	ADJ
admet-2278	318	2	agents	agent	NOUN
admet-2278	318	3	in	in	ADP
admet-2278	318	4	medicinal	medicinal	ADJ
admet-2278	318	5	chemistry	chemistry	NOUN
admet-2278	318	6	4	4	NUM
admet-2278	318	7	(	(	PUNCT
admet-2278	318	8	2006	2006	NUM
admet-2278	318	9	)	)	PUNCT
admet-2278	318	10	17	17	NUM
admet-2278	318	11	-	-	SYM
admet-2278	318	12	32	32	NUM
admet-2278	318	13	.	.	PUNCT
admet-2278	319	1	https://doi.org/10.2174/187152506775268758	https://doi.org/10.2174/187152506775268758	PROPN
admet-2278	320	1	[	[	X
admet-2278	320	2	3	3	NUM
admet-2278	320	3	]	]	X
admet-2278	320	4	p.	p.	NOUN
admet-2278	320	5	bousquet	bousquet	PROPN
admet-2278	320	6	,	,	PUNCT
admet-2278	320	7	a.	a.	PROPN
admet-2278	320	8	hudson	hudson	PROPN
admet-2278	320	9	,	,	PUNCT
admet-2278	320	10	j.a	j.a	PROPN
admet-2278	320	11	.	.	PROPN
admet-2278	320	12	garcía	garcía	NOUN
admet-2278	320	13	-	-	PUNCT
admet-2278	320	14	sevilla	sevilla	NOUN
admet-2278	320	15	,	,	PUNCT
admet-2278	320	16	j.x	j.x	PROPN
admet-2278	320	17	.	.	PROPN
admet-2278	320	18	li	li	PROPN
admet-2278	320	19	.	.	PROPN
admet-2278	320	20	imidazoline	imidazoline	NOUN
admet-2278	320	21	receptor	receptor	NOUN
admet-2278	320	22	system	system	NOUN
admet-2278	320	23	:	:	PUNCT
admet-2278	320	24	the	the	DET
admet-2278	320	25	past	past	NOUN
admet-2278	320	26	,	,	PUNCT
admet-2278	320	27	the	the	DET
admet-2278	320	28	present	present	NOUN
admet-2278	320	29	,	,	PUNCT
admet-2278	320	30	and	and	CCONJ
admet-2278	320	31	the	the	DET
admet-2278	320	32	future	future	NOUN
admet-2278	320	33	.	.	PUNCT
admet-2278	321	1	pharmacological	pharmacological	ADJ
admet-2278	321	2	reviews	review	NOUN
admet-2278	321	3	72	72	NUM
admet-2278	321	4	(	(	PUNCT
admet-2278	321	5	2020	2020	NUM
admet-2278	321	6	)	)	PUNCT
admet-2278	321	7	50	50	NUM
admet-2278	321	8	-	-	SYM
admet-2278	321	9	79	79	NUM
admet-2278	321	10	.	.	PUNCT
admet-2278	322	1	https://doi.org/10.1124/pr.118.016311	https://doi.org/10.1124/pr.118.016311	NOUN
admet-2278	323	1	[	[	X
admet-2278	323	2	4	4	X
admet-2278	323	3	]	]	PUNCT
admet-2278	323	4	k.	k.	PROPN
admet-2278	323	5	nikolic	nikolic	PROPN
admet-2278	323	6	,	,	PUNCT
admet-2278	323	7	d.	d.	PROPN
admet-2278	323	8	agbaba	agbaba	PROPN
admet-2278	323	9	.	.	PUNCT
admet-2278	324	1	imidazoline	imidazoline	VERB
admet-2278	324	2	antihypertensive	antihypertensive	ADJ
admet-2278	324	3	drugs	drug	NOUN
admet-2278	324	4	:	:	PUNCT
admet-2278	324	5	selective	selective	ADJ
admet-2278	324	6	i1	i1	PROPN
admet-2278	324	7	-	-	PUNCT
admet-2278	324	8	imidazoline	imidazoline	NOUN
admet-2278	324	9	receptors	receptor	NOUN
admet-2278	324	10	activation	activation	NOUN
admet-2278	324	11	.	.	PUNCT
admet-2278	325	1	cardiovascular	cardiovascular	ADJ
admet-2278	325	2	therapeutics	therapeutic	NOUN
admet-2278	325	3	30	30	NUM
admet-2278	325	4	(	(	PUNCT
admet-2278	325	5	2012	2012	NUM
admet-2278	325	6	)	)	PUNCT
admet-2278	325	7	209	209	NUM
admet-2278	325	8	-	-	SYM
admet-2278	325	9	216	216	NUM
admet-2278	325	10	.	.	PUNCT
admet-2278	325	11	https://doi.org/10.1111/j.17555922.2011.00269.x	https://doi.org/10.1111/j.17555922.2011.00269.x	PRON
admet-2278	326	1	[	[	X
admet-2278	326	2	5	5	NUM
admet-2278	326	3	]	]	X
admet-2278	326	4	g.a	g.a	PROPN
admet-2278	326	5	.	.	PROPN
admet-2278	326	6	head	head	PROPN
admet-2278	326	7	,	,	PUNCT
admet-2278	326	8	s.l	s.l	PROPN
admet-2278	326	9	.	.	PROPN
admet-2278	326	10	burke	burke	PROPN
admet-2278	326	11	.	.	PUNCT
admet-2278	327	1	i1	i1	PROPN
admet-2278	327	2	imidazoline	imidazoline	NOUN
admet-2278	327	3	receptors	receptor	NOUN
admet-2278	327	4	in	in	ADP
admet-2278	327	5	cardiovascular	cardiovascular	ADJ
admet-2278	327	6	regulation	regulation	NOUN
admet-2278	327	7	:	:	PUNCT
admet-2278	327	8	the	the	DET
admet-2278	327	9	place	place	NOUN
admet-2278	327	10	of	of	ADP
admet-2278	327	11	rilmenidine	rilmenidine	NOUN
admet-2278	327	12	.	.	PUNCT
admet-2278	328	1	american	american	ADJ
admet-2278	328	2	journal	journal	PROPN
admet-2278	328	3	of	of	ADP
admet-2278	328	4	hypertension	hypertension	NOUN
admet-2278	328	5	13	13	NUM
admet-2278	328	6	(	(	PUNCT
admet-2278	328	7	2000	2000	NUM
admet-2278	328	8	)	)	PUNCT
admet-2278	328	9	89s-98s	89s-98s	NUM
admet-2278	328	10	.	.	PUNCT
admet-2278	329	1	https://doi.org/10.1016/s0895-7061(00)00224-7	https://doi.org/10.1016/s0895-7061(00)00224-7	VERB
admet-2278	330	1	[	[	X
admet-2278	330	2	6	6	NUM
admet-2278	330	3	]	]	X
admet-2278	330	4	j.x	j.x	PROPN
admet-2278	330	5	.	.	PROPN
admet-2278	330	6	li	li	PROPN
admet-2278	330	7	,	,	PUNCT
admet-2278	330	8	y.	y.	PROPN
admet-2278	330	9	zhang	zhang	PROPN
admet-2278	330	10	.	.	PUNCT
admet-2278	331	1	imidazoline	imidazoline	PROPN
admet-2278	331	2	i2	i2	PROPN
admet-2278	331	3	receptors	receptor	NOUN
admet-2278	331	4	:	:	PUNCT
admet-2278	331	5	target	target	NOUN
admet-2278	331	6	for	for	ADP
admet-2278	331	7	new	new	ADJ
admet-2278	331	8	analgesics	analgesic	NOUN
admet-2278	331	9	?	?	PUNCT
admet-2278	332	1	european	european	ADJ
admet-2278	332	2	journal	journal	PROPN
admet-2278	332	3	of	of	ADP
admet-2278	332	4	pharmacology	pharmacology	NOUN
admet-2278	332	5	658	658	NUM
admet-2278	332	6	(	(	PUNCT
admet-2278	332	7	2011	2011	NUM
admet-2278	332	8	)	)	PUNCT
admet-2278	332	9	49	49	NUM
admet-2278	332	10	-	-	SYM
admet-2278	332	11	56	56	NUM
admet-2278	332	12	.	.	PUNCT
admet-2278	333	1	https://doi.org/10.1016/j.ejphar.2011.02.038	https://doi.org/10.1016/j.ejphar.2011.02.038	PROPN
admet-2278	333	2	https://doi.org/10.1002/med.20007	https://doi.org/10.1002/med.20007	PROPN
admet-2278	333	3	https://doi.org/10.2174/187152506775268758	https://doi.org/10.2174/187152506775268758	PRON
admet-2278	333	4	https://doi.org/10.1124/pr.118.016311	https://doi.org/10.1124/pr.118.016311	NOUN
admet-2278	333	5	https://doi.org/10.1111/j.1755-5922.2011.00269.x	https://doi.org/10.1111/j.1755-5922.2011.00269.x	PROPN
admet-2278	333	6	https://doi.org/10.1111/j.1755-5922.2011.00269.x	https://doi.org/10.1111/j.1755-5922.2011.00269.x	PROPN
admet-2278	334	1	https://doi.org/10.1016/s0895-7061(00)00224-7	https://doi.org/10.1016/s0895-7061(00)00224-7	PROPN
admet-2278	334	2	https://doi.org/10.1016/j.ejphar.2011.02.038	https://doi.org/10.1016/j.ejphar.2011.02.038	PROPN
admet-2278	334	3	admet	admet	PROPN
admet-2278	334	4	&	&	CCONJ
admet-2278	334	5	dmpk	dmpk	PROPN
admet-2278	334	6	12(5	12(5	NUM
admet-2278	334	7	)	)	PUNCT
admet-2278	334	8	(	(	PUNCT
admet-2278	334	9	2024	2024	NUM
admet-2278	334	10	)	)	PUNCT
admet-2278	334	11	737	737	NUM
admet-2278	334	12	-	-	SYM
admet-2278	334	13	757	757	NUM
admet-2278	334	14	imidazoline	imidazoline	NOUN
admet-2278	334	15	and	and	CCONJ
admet-2278	334	16	alpha	alpha	NOUN
admet-2278	334	17	adrenergic	adrenergic	NOUN
admet-2278	334	18	receptors	receptor	NOUN
admet-2278	334	19	ligands	ligand	NOUN
admet-2278	334	20	doi	doi	NOUN
admet-2278	334	21	:	:	PUNCT
admet-2278	334	22	https://doi.org/10.5599/admet.2278	https://doi.org/10.5599/admet.2278	NOUN
admet-2278	334	23	755	755	NUM
admet-2278	334	24	[	[	X
admet-2278	334	25	7	7	NUM
admet-2278	334	26	]	]	X
admet-2278	334	27	j.h	j.h	PROPN
admet-2278	334	28	.	.	PROPN
admet-2278	334	29	li	li	PROPN
admet-2278	334	30	.	.	PROPN
admet-2278	334	31	imidazoline	imidazoline	PROPN
admet-2278	334	32	i2	i2	PROPN
admet-2278	334	33	receptors	receptor	NOUN
admet-2278	334	34	:	:	PUNCT
admet-2278	334	35	an	an	DET
admet-2278	334	36	update	update	NOUN
admet-2278	334	37	.	.	PUNCT
admet-2278	335	1	pharmacology	pharmacology	NOUN
admet-2278	335	2	&	&	CCONJ
admet-2278	335	3	therapeutics	therapeutic	NOUN
admet-2278	335	4	178	178	NUM
admet-2278	335	5	(	(	PUNCT
admet-2278	335	6	2017	2017	NUM
admet-2278	335	7	)	)	PUNCT
admet-2278	335	8	48	48	NUM
admet-2278	335	9	-	-	SYM
admet-2278	335	10	56	56	NUM
admet-2278	335	11	.	.	PUNCT
admet-2278	336	1	http://dx.doi.org/10.1016/j.pharmthera.2017.03.009	http://dx.doi.org/10.1016/j.pharmthera.2017.03.009	PROPN
admet-2278	337	1	[	[	X
admet-2278	337	2	8	8	NUM
admet-2278	337	3	]	]	PUNCT
admet-2278	337	4	a.	a.	NOUN
admet-2278	337	5	bagán	bagán	NOUN
admet-2278	337	6	,	,	PUNCT
admet-2278	337	7	s.	s.	PROPN
admet-2278	337	8	rodriguez	rodriguez	PROPN
admet-2278	337	9	-	-	PUNCT
admet-2278	337	10	arévalo	arévalo	PROPN
admet-2278	337	11	,	,	PUNCT
admet-2278	337	12	t.	t.	PROPN
admet-2278	337	13	taboada	taboada	PROPN
admet-2278	337	14	-	-	PUNCT
admet-2278	337	15	jara	jara	PROPN
admet-2278	337	16	,	,	PUNCT
admet-2278	337	17	c.	c.	PROPN
admet-2278	337	18	griñán	griñán	PROPN
admet-2278	337	19	-	-	PUNCT
admet-2278	337	20	ferré	ferré	NOUN
admet-2278	337	21	,	,	PUNCT
admet-2278	337	22	m.	m.	NOUN
admet-2278	337	23	pallàs	pallàs	NOUN
admet-2278	337	24	,	,	PUNCT
admet-2278	337	25	i.	i.	PROPN
admet-2278	337	26	brocos	brocos	PROPN
admet-2278	337	27	-	-	PUNCT
admet-2278	337	28	mosquera	mosquera	NOUN
admet-2278	337	29	,	,	PUNCT
admet-2278	337	30	l.	l.	PROPN
admet-2278	337	31	f.	f.	PROPN
admet-2278	337	32	callado	callado	PROPN
admet-2278	337	33	,	,	PUNCT
admet-2278	337	34	j.a	j.a	PROPN
admet-2278	337	35	.	.	PROPN
admet-2278	337	36	morales	morales	PROPN
admet-2278	337	37	-	-	PUNCT
admet-2278	337	38	garcía	garcía	ADJ
admet-2278	337	39	,	,	PUNCT
admet-2278	337	40	b.	b.	NOUN
admet-2278	337	41	pérez	pérez	NOUN
admet-2278	337	42	,	,	PUNCT
admet-2278	337	43	c.	c.	PROPN
admet-2278	337	44	diaz	diaz	PROPN
admet-2278	337	45	,	,	PUNCT
admet-2278	337	46	r.	r.	PROPN
admet-2278	337	47	fernández	fernández	PROPN
admet-2278	337	48	-	-	PUNCT
admet-2278	337	49	godino	godino	PROPN
admet-2278	337	50	,	,	PUNCT
admet-2278	337	51	o.	o.	PROPN
admet-2278	337	52	genilloud	genilloud	PROPN
admet-2278	337	53	,	,	PUNCT
admet-2278	337	54	m.	m.	NOUN
admet-2278	337	55	beljkas	beljkas	PROPN
admet-2278	337	56	,	,	PUNCT
admet-2278	337	57	s.	s.	PROPN
admet-2278	337	58	oljacic	oljacic	PROPN
admet-2278	337	59	,	,	PUNCT
admet-2278	337	60	k.	k.	PROPN
admet-2278	337	61	nikolic	nikolic	PROPN
admet-2278	337	62	,	,	PUNCT
admet-2278	337	63	c.	c.	PROPN
admet-2278	337	64	escolano	escolano	NOUN
admet-2278	337	65	.	.	PUNCT
admet-2278	338	1	preclinical	preclinical	ADJ
admet-2278	338	2	evaluation	evaluation	NOUN
admet-2278	338	3	of	of	ADP
admet-2278	338	4	an	an	DET
admet-2278	338	5	imidazole	imidazole	NOUN
admet-2278	338	6	-	-	PUNCT
admet-2278	338	7	linked	link	VERB
admet-2278	338	8	heterocycle	heterocycle	NOUN
admet-2278	338	9	for	for	ADP
admet-2278	338	10	alzheimer	alzheimer	PROPN
admet-2278	338	11	’s	’s	PART
admet-2278	338	12	disease	disease	NOUN
admet-2278	338	13	.	.	PUNCT
admet-2278	339	1	pharmaceutics	pharmaceutic	NOUN
admet-2278	339	2	215	215	NUM
admet-2278	339	3	(	(	PUNCT
admet-2278	339	4	2023	2023	NUM
admet-2278	339	5	)	)	PUNCT
admet-2278	339	6	2381	2381	NUM
admet-2278	339	7	.	.	PUNCT
admet-2278	340	1	https://doi.org/10.3390/pharmaceutics15102381	https://doi.org/10.3390/pharmaceutics15102381	NOUN
admet-2278	340	2	[	[	X
admet-2278	340	3	9	9	NUM
admet-2278	340	4	]	]	X
admet-2278	340	5	n.g	n.g	PROPN
admet-2278	340	6	.	.	PROPN
admet-2278	340	7	morgan	morgan	PROPN
admet-2278	340	8	,	,	PUNCT
admet-2278	340	9	s.l	s.l	PROPN
admet-2278	340	10	.	.	PROPN
admet-2278	340	11	chan	chan	PROPN
admet-2278	340	12	.	.	PUNCT
admet-2278	341	1	imidazoline	imidazoline	NOUN
admet-2278	341	2	binding	bind	VERB
admet-2278	341	3	sites	site	NOUN
admet-2278	341	4	in	in	ADP
admet-2278	341	5	the	the	DET
admet-2278	341	6	endocrine	endocrine	NOUN
admet-2278	341	7	pancreas	pancreas	NOUN
admet-2278	341	8	:	:	PUNCT
admet-2278	341	9	can	can	AUX
admet-2278	341	10	they	they	PRON
admet-2278	341	11	fulfill	fulfill	VERB
admet-2278	341	12	their	their	PRON
admet-2278	341	13	potential	potential	NOUN
admet-2278	341	14	as	as	ADP
admet-2278	341	15	targets	target	NOUN
admet-2278	341	16	for	for	ADP
admet-2278	341	17	the	the	DET
admet-2278	341	18	development	development	NOUN
admet-2278	341	19	of	of	ADP
admet-2278	341	20	new	new	ADJ
admet-2278	341	21	insulin	insulin	NOUN
admet-2278	341	22	secretagogues	secretagogue	NOUN
admet-2278	341	23	?	?	PUNCT
admet-2278	342	1	current	current	ADJ
admet-2278	342	2	pharmaceutical	pharmaceutical	NOUN
admet-2278	342	3	design	design	NOUN
admet-2278	342	4	7	7	NUM
admet-2278	342	5	(	(	PUNCT
admet-2278	342	6	2001	2001	NUM
admet-2278	342	7	)	)	PUNCT
admet-2278	342	8	1413	1413	NUM
admet-2278	342	9	-	-	SYM
admet-2278	342	10	1431	1431	NUM
admet-2278	342	11	.	.	PUNCT
admet-2278	343	1	https://doi.org/10.2174/1381612013397366	https://doi.org/10.2174/1381612013397366	VERB
admet-2278	344	1	[	[	X
admet-2278	344	2	10	10	NUM
admet-2278	344	3	]	]	X
admet-2278	344	4	h.	h.	PROPN
admet-2278	344	5	van	van	PROPN
admet-2278	344	6	de	de	PROPN
admet-2278	344	7	waterbeemd	waterbeemd	PROPN
admet-2278	344	8	,	,	PUNCT
admet-2278	344	9	e.	e.	PROPN
admet-2278	344	10	gifford	gifford	PROPN
admet-2278	344	11	.	.	PUNCT
admet-2278	345	1	admet	admet	PROPN
admet-2278	345	2	in	in	ADP
admet-2278	345	3	silico	silico	NOUN
admet-2278	345	4	modelling	modelling	NOUN
admet-2278	345	5	:	:	PUNCT
admet-2278	345	6	towards	towards	ADP
admet-2278	345	7	prediction	prediction	NOUN
admet-2278	345	8	paradise	paradise	PROPN
admet-2278	345	9	?	?	PUNCT
admet-2278	346	1	nature	nature	NOUN
admet-2278	346	2	reviews	review	VERB
admet-2278	346	3	drug	drug	NOUN
admet-2278	346	4	discovery	discovery	NOUN
admet-2278	346	5	2	2	NUM
admet-2278	346	6	(	(	PUNCT
admet-2278	346	7	2003	2003	NUM
admet-2278	346	8	)	)	PUNCT
admet-2278	346	9	192	192	NUM
admet-2278	346	10	-	-	SYM
admet-2278	346	11	204	204	NUM
admet-2278	346	12	.	.	PUNCT
admet-2278	347	1	https://doir.org/10.1038/nrd1032	https://doir.org/10.1038/nrd1032	X
admet-2278	348	1	[	[	X
admet-2278	348	2	11	11	NUM
admet-2278	348	3	]	]	PUNCT
admet-2278	348	4	k.	k.	PROPN
admet-2278	348	5	vucićević	vucićević	PROPN
admet-2278	348	6	,	,	PUNCT
admet-2278	348	7	g.	g.	PROPN
admet-2278	348	8	popović	popović	PROPN
admet-2278	348	9	,	,	PUNCT
admet-2278	348	10	k.	k.	PROPN
admet-2278	348	11	nikolić	nikolić	PROPN
admet-2278	348	12	,	,	PUNCT
admet-2278	348	13	i.	i.	PROPN
admet-2278	348	14	vovk	vovk	PROPN
admet-2278	348	15	,	,	PUNCT
admet-2278	348	16	d.	d.	PROPN
admet-2278	348	17	agbaba	agbaba	PROPN
admet-2278	348	18	.	.	PUNCT
admet-2278	349	1	an	an	DET
admet-2278	349	2	experimental	experimental	ADJ
admet-2278	349	3	design	design	NOUN
admet-2278	349	4	approach	approach	NOUN
admet-2278	349	5	to	to	ADP
admet-2278	349	6	selecting	select	VERB
admet-2278	349	7	the	the	DET
admet-2278	349	8	optimum	optimum	ADJ
admet-2278	349	9	hplc	hplc	NOUN
admet-2278	349	10	conditions	condition	NOUN
admet-2278	349	11	for	for	ADP
admet-2278	349	12	the	the	DET
admet-2278	349	13	determination	determination	NOUN
admet-2278	349	14	of	of	ADP
admet-2278	349	15	2	2	NUM
admet-2278	349	16	-	-	PUNCT
admet-2278	349	17	arylimidazoline	arylimidazoline	NOUN
admet-2278	349	18	derivatives	derivative	NOUN
admet-2278	349	19	.	.	PUNCT
admet-2278	350	1	liquid	liquid	ADJ
admet-2278	350	2	chromatography	chromatography	NOUN
admet-2278	350	3	&	&	CCONJ
admet-2278	350	4	related	relate	VERB
admet-2278	350	5	technologies	technology	NOUN
admet-2278	350	6	32	32	NUM
admet-2278	350	7	(	(	PUNCT
admet-2278	350	8	2009	2009	NUM
admet-2278	350	9	)	)	PUNCT
admet-2278	350	10	656	656	NUM
admet-2278	350	11	-	-	SYM
admet-2278	350	12	667	667	NUM
admet-2278	350	13	.	.	PUNCT
admet-2278	351	1	https://doi.org/10.1080/10826070802711113	https://doi.org/10.1080/10826070802711113	NOUN
admet-2278	352	1	[	[	X
admet-2278	352	2	12	12	NUM
admet-2278	352	3	]	]	X
admet-2278	352	4	s.	s.	PROPN
admet-2278	352	5	filipić	filipić	PROPN
admet-2278	352	6	,	,	PUNCT
admet-2278	352	7	d.	d.	PROPN
admet-2278	352	8	ružić	ružić	PROPN
admet-2278	352	9	,	,	PUNCT
admet-2278	352	10	j.	j.	PROPN
admet-2278	352	11	vucićević	vucićević	PROPN
admet-2278	352	12	,	,	PUNCT
admet-2278	352	13	k.	k.	PROPN
admet-2278	352	14	nikolić	nikolić	PROPN
admet-2278	352	15	,	,	PUNCT
admet-2278	352	16	d.	d.	PROPN
admet-2278	352	17	agbaba	agbaba	PROPN
admet-2278	352	18	.	.	PUNCT
admet-2278	353	1	quantitative	quantitative	ADJ
admet-2278	353	2	structure	structure	NOUN
admet-2278	353	3	-	-	PUNCT
admet-2278	353	4	retention	retention	NOUN
admet-2278	353	5	relationship	relationship	NOUN
admet-2278	353	6	of	of	ADP
admet-2278	353	7	selected	select	VERB
admet-2278	353	8	imidazoline	imidazoline	NOUN
admet-2278	353	9	derivatives	derivative	NOUN
admet-2278	353	10	on	on	ADP
admet-2278	353	11	ɑ1	ɑ1	NOUN
admet-2278	353	12	-	-	PUNCT
admet-2278	353	13	acid	acid	NOUN
admet-2278	353	14	glycoprotein	glycoprotein	NOUN
admet-2278	353	15	column	column	NOUN
admet-2278	353	16	.	.	PUNCT
admet-2278	354	1	journal	journal	PROPN
admet-2278	354	2	of	of	ADP
admet-2278	354	3	pharmaceutical	pharmaceutical	NOUN
admet-2278	354	4	and	and	CCONJ
admet-2278	354	5	biomedical	biomedical	ADJ
admet-2278	354	6	analysis	analysis	NOUN
admet-2278	354	7	12	12	NUM
admet-2278	354	8	(	(	PUNCT
admet-2278	354	9	2016	2016	NUM
admet-2278	354	10	)	)	PUNCT
admet-2278	354	11	101	101	NUM
admet-2278	354	12	-	-	SYM
admet-2278	354	13	111	111	NUM
admet-2278	354	14	.	.	PUNCT
admet-2278	355	1	http://dx.doi.org/10.1016/j.jpba.2016.02.053	http://dx.doi.org/10.1016/j.jpba.2016.02.053	VERB
admet-2278	356	1	[	[	X
admet-2278	356	2	13	13	NUM
admet-2278	356	3	]	]	PUNCT
admet-2278	356	4	d.	d.	PROPN
admet-2278	356	5	obradović	obradović	PROPN
admet-2278	356	6	,	,	PUNCT
admet-2278	356	7	s.	s.	PROPN
admet-2278	356	8	oljačić	oljačić	PROPN
admet-2278	356	9	,	,	PUNCT
admet-2278	356	10	k.	k.	PROPN
admet-2278	356	11	nikolić	nikolić	PROPN
admet-2278	356	12	,	,	PUNCT
admet-2278	356	13	d.	d.	PROPN
admet-2278	356	14	agbaba	agbaba	PROPN
admet-2278	356	15	.	.	PUNCT
admet-2278	357	1	investigation	investigation	NOUN
admet-2278	357	2	and	and	CCONJ
admet-2278	357	3	prediction	prediction	NOUN
admet-2278	357	4	of	of	ADP
admet-2278	357	5	retention	retention	NOUN
admet-2278	357	6	characteristics	characteristic	NOUN
admet-2278	357	7	of	of	ADP
admet-2278	357	8	imidazoline	imidazoline	NOUN
admet-2278	357	9	and	and	CCONJ
admet-2278	357	10	serotonin	serotonin	VERB
admet-2278	357	11	receptor	receptor	NOUN
admet-2278	357	12	ligands	ligand	NOUN
admet-2278	357	13	and	and	CCONJ
admet-2278	357	14	their	their	PRON
admet-2278	357	15	related	relate	VERB
admet-2278	357	16	compounds	compound	NOUN
admet-2278	357	17	on	on	ADP
admet-2278	357	18	mixedmode	mixedmode	ADJ
admet-2278	357	19	stationary	stationary	ADJ
admet-2278	357	20	phase	phase	NOUN
admet-2278	357	21	.	.	PUNCT
admet-2278	358	1	journal	journal	PROPN
admet-2278	358	2	of	of	ADP
admet-2278	358	3	chromatography	chromatography	NOUN
admet-2278	358	4	a	a	PRON
admet-2278	358	5	1585	1585	NUM
admet-2278	358	6	(	(	PUNCT
admet-2278	358	7	2019	2019	NUM
admet-2278	358	8	)	)	PUNCT
admet-2278	358	9	92	92	NUM
admet-2278	358	10	-	-	SYM
admet-2278	358	11	104	104	NUM
admet-2278	358	12	.	.	PUNCT
admet-2278	359	1	https://doi.org/10.1016/j.chroma.2018.11.051	https://doi.org/10.1016/j.chroma.2018.11.051	ADJ
admet-2278	359	2	[	[	X
admet-2278	359	3	14	14	NUM
admet-2278	359	4	]	]	X
admet-2278	359	5	s.	s.	PROPN
admet-2278	359	6	filipic	filipic	PROPN
admet-2278	359	7	,	,	PUNCT
admet-2278	359	8	k.	k.	PROPN
admet-2278	359	9	nikolic	nikolic	PROPN
admet-2278	359	10	,	,	PUNCT
admet-2278	359	11	i.	i.	PROPN
admet-2278	359	12	vovk	vovk	PROPN
admet-2278	359	13	,	,	PUNCT
admet-2278	359	14	m.	m.	NOUN
admet-2278	359	15	krizman	krizman	PROPN
admet-2278	359	16	,	,	PUNCT
admet-2278	359	17	d.	d.	PROPN
admet-2278	359	18	agbaba	agbaba	PROPN
admet-2278	359	19	.	.	PUNCT
admet-2278	360	1	quantitative	quantitative	ADJ
admet-2278	360	2	structure	structure	NOUN
admet-2278	360	3	-	-	PUNCT
admet-2278	360	4	mobility	mobility	NOUN
admet-2278	360	5	relationship	relationship	NOUN
admet-2278	360	6	analysis	analysis	NOUN
admet-2278	360	7	of	of	ADP
admet-2278	360	8	imidazoline	imidazoline	NOUN
admet-2278	360	9	receptor	receptor	NOUN
admet-2278	360	10	ligands	ligand	NOUN
admet-2278	360	11	in	in	ADP
admet-2278	360	12	cds	cd	NOUN
admet-2278	360	13	-	-	PUNCT
admet-2278	360	14	mediated	mediate	VERB
admet-2278	360	15	ce	ce	PROPN
admet-2278	360	16	.	.	PROPN
admet-2278	360	17	electrophoresis	electrophoresis	NOUN
admet-2278	360	18	34	34	NUM
admet-2278	360	19	(	(	PUNCT
admet-2278	360	20	2013	2013	NUM
admet-2278	360	21	)	)	PUNCT
admet-2278	360	22	471	471	NUM
admet-2278	360	23	-	-	SYM
admet-2278	360	24	482	482	NUM
admet-2278	360	25	.	.	PUNCT
admet-2278	361	1	https://doi.org/10.1002/elps.201200171	https://doi.org/10.1002/elps.201200171	PROPN
admet-2278	362	1	[	[	X
admet-2278	362	2	15	15	NUM
admet-2278	362	3	]	]	X
admet-2278	362	4	r.	r.	PROPN
admet-2278	362	5	kaliszan	kaliszan	PROPN
admet-2278	362	6	.	.	PUNCT
admet-2278	363	1	qsrr	qsrr	VERB
admet-2278	363	2	:	:	PUNCT
admet-2278	364	1	quantitative	quantitative	ADJ
admet-2278	364	2	structure-(chromatographic	structure-(chromatographic	ADJ
admet-2278	364	3	)	)	PUNCT
admet-2278	364	4	retention	retention	NOUN
admet-2278	364	5	relationships	relationship	NOUN
admet-2278	364	6	.	.	PUNCT
admet-2278	365	1	chemical	chemical	ADJ
admet-2278	365	2	reviews	review	NOUN
admet-2278	365	3	107	107	NUM
admet-2278	365	4	(	(	PUNCT
admet-2278	365	5	2007	2007	NUM
admet-2278	365	6	)	)	PUNCT
admet-2278	365	7	3212–3246	3212–3246	NUM
admet-2278	365	8	.	.	PUNCT
admet-2278	366	1	https://doi.org/10.1021/cr068412z	https://doi.org/10.1021/cr068412z	NOUN
admet-2278	367	1	[	[	X
admet-2278	367	2	16	16	NUM
admet-2278	367	3	]	]	PUNCT
admet-2278	367	4	r.	r.	PROPN
admet-2278	367	5	kaliszan	kaliszan	PROPN
admet-2278	367	6	.	.	PUNCT
admet-2278	368	1	chromatography	chromatography	NOUN
admet-2278	368	2	and	and	CCONJ
admet-2278	368	3	capillary	capillary	ADJ
admet-2278	368	4	electrophoresis	electrophoresis	NOUN
admet-2278	368	5	in	in	ADP
admet-2278	368	6	modelling	model	VERB
admet-2278	368	7	the	the	DET
admet-2278	368	8	basic	basic	ADJ
admet-2278	368	9	processes	process	NOUN
admet-2278	368	10	of	of	ADP
admet-2278	368	11	drug	drug	NOUN
admet-2278	368	12	action	action	NOUN
admet-2278	368	13	.	.	PUNCT
admet-2278	369	1	trac	trac	NOUN
admet-2278	369	2	trends	trend	NOUN
admet-2278	369	3	in	in	ADP
admet-2278	369	4	analytical	analytical	ADJ
admet-2278	369	5	chemistry	chemistry	NOUN
admet-2278	369	6	18	18	NUM
admet-2278	369	7	(	(	PUNCT
admet-2278	369	8	1999	1999	NUM
admet-2278	369	9	)	)	PUNCT
admet-2278	369	10	400	400	NUM
admet-2278	369	11	-	-	SYM
admet-2278	369	12	410	410	NUM
admet-2278	369	13	.	.	PUNCT
admet-2278	370	1	https://doi.org/10.1016/s01659936(99)00120-x	https://doi.org/10.1016/s01659936(99)00120-x	PUNCT
admet-2278	371	1	[	[	X
admet-2278	371	2	17	17	NUM
admet-2278	371	3	]	]	X
admet-2278	371	4	j.x	j.x	PROPN
admet-2278	371	5	.	.	PROPN
admet-2278	371	6	soares	soares	PROPN
admet-2278	371	7	,	,	PUNCT
admet-2278	371	8	á	á	PROPN
admet-2278	371	9	.	.	PUNCT
admet-2278	371	10	santos	santos	PROPN
admet-2278	371	11	,	,	PUNCT
admet-2278	371	12	c.	c.	PROPN
admet-2278	371	13	fernandes	fernandes	PROPN
admet-2278	371	14	,	,	PUNCT
admet-2278	371	15	m.m.m	m.m.m	NOUN
admet-2278	371	16	.	.	PUNCT
admet-2278	371	17	pinto	pinto	NOUN
admet-2278	371	18	.	.	PUNCT
admet-2278	372	1	liquid	liquid	ADJ
admet-2278	372	2	chromatography	chromatography	NOUN
admet-2278	372	3	on	on	ADP
admet-2278	372	4	the	the	DET
admet-2278	372	5	different	different	ADJ
admet-2278	372	6	methods	method	NOUN
admet-2278	372	7	for	for	ADP
admet-2278	372	8	the	the	DET
admet-2278	372	9	determination	determination	NOUN
admet-2278	372	10	of	of	ADP
admet-2278	372	11	lipophilicity	lipophilicity	NOUN
admet-2278	372	12	:	:	PUNCT
admet-2278	372	13	an	an	DET
admet-2278	372	14	essential	essential	ADJ
admet-2278	372	15	analytical	analytical	ADJ
admet-2278	372	16	tool	tool	NOUN
admet-2278	372	17	in	in	ADP
admet-2278	372	18	medicinal	medicinal	ADJ
admet-2278	372	19	chemistry	chemistry	NOUN
admet-2278	372	20	.	.	PUNCT
admet-2278	373	1	chemosensors	chemosensor	NOUN
admet-2278	373	2	10	10	NUM
admet-2278	373	3	(	(	PUNCT
admet-2278	373	4	2022	2022	NUM
admet-2278	373	5	)	)	PUNCT
admet-2278	373	6	10	10	NUM
admet-2278	373	7	,	,	PUNCT
admet-2278	373	8	340	340	NUM
admet-2278	373	9	.	.	PUNCT
admet-2278	374	1	https://doi.org/10.3390/chemosensors10080340	https://doi.org/10.3390/chemosensors10080340	PROPN
admet-2278	374	2	[	[	X
admet-2278	374	3	18	18	NUM
admet-2278	374	4	]	]	X
admet-2278	374	5	d.	d.	PROPN
admet-2278	374	6	obradović	obradović	PROPN
admet-2278	374	7	,	,	PUNCT
admet-2278	374	8	ł	ł	PROPN
admet-2278	374	9	.	.	PROPN
admet-2278	374	10	komsta	komsta	PROPN
admet-2278	374	11	,	,	PUNCT
admet-2278	374	12	v.m	v.m	PROPN
admet-2278	374	13	.	.	PROPN
admet-2278	374	14	petrović	petrović	PROPN
admet-2278	374	15	,	,	PUNCT
admet-2278	374	16	i.	i.	PROPN
admet-2278	374	17	stojković	stojković	PROPN
admet-2278	374	18	,	,	PUNCT
admet-2278	374	19	s.	s.	PROPN
admet-2278	374	20	lazović	lazović	PROPN
admet-2278	374	21	.	.	PUNCT
admet-2278	375	1	an	an	DET
admet-2278	375	2	alternative	alternative	ADJ
admet-2278	375	3	biomimetic	biomimetic	ADJ
admet-2278	375	4	tool	tool	NOUN
admet-2278	375	5	–	–	PUNCT
admet-2278	375	6	dual	dual	ADJ
admet-2278	375	7	hydrophilic	hydrophilic	ADJ
admet-2278	375	8	/	/	SYM
admet-2278	375	9	reversed	reverse	VERB
admet-2278	375	10	-	-	PUNCT
admet-2278	375	11	phase	phase	NOUN
admet-2278	375	12	interaction	interaction	NOUN
admet-2278	375	13	mode	mode	NOUN
admet-2278	375	14	.	.	PUNCT
admet-2278	376	1	microchemical	microchemical	ADJ
admet-2278	376	2	journal	journal	PROPN
admet-2278	376	3	193	193	NUM
admet-2278	376	4	(	(	PUNCT
admet-2278	376	5	2023	2023	NUM
admet-2278	376	6	)	)	PUNCT
admet-2278	376	7	108967	108967	NUM
admet-2278	377	1	https://doi.org/10.1016/j.microc.2023.108967	https://doi.org/10.1016/j.microc.2023.108967	ADJ
admet-2278	377	2	[	[	X
admet-2278	377	3	19	19	NUM
admet-2278	377	4	]	]	PUNCT
admet-2278	377	5	m.	m.	NOUN
admet-2278	377	6	koba	koba	PROPN
admet-2278	377	7	,	,	PUNCT
admet-2278	377	8	t.	t.	PROPN
admet-2278	377	9	bączek	bączek	PROPN
admet-2278	377	10	,	,	PUNCT
admet-2278	377	11	m.p	m.p	PROPN
admet-2278	377	12	.	.	PROPN
admet-2278	377	13	marszałł	marszałł	PROPN
admet-2278	377	14	.	.	PUNCT
admet-2278	378	1	importance	importance	NOUN
admet-2278	378	2	of	of	ADP
admet-2278	378	3	retention	retention	NOUN
admet-2278	378	4	data	datum	NOUN
admet-2278	378	5	from	from	ADP
admet-2278	378	6	affinity	affinity	NOUN
admet-2278	378	7	and	and	CCONJ
admet-2278	378	8	reverse	reverse	NOUN
admet-2278	378	9	-	-	PUNCT
admet-2278	378	10	phase	phase	NOUN
admet-2278	378	11	high	high	ADJ
admet-2278	378	12	-	-	PUNCT
admet-2278	378	13	performance	performance	NOUN
admet-2278	378	14	liquid	liquid	ADJ
admet-2278	378	15	chromatography	chromatography	NOUN
admet-2278	378	16	on	on	ADP
admet-2278	378	17	antitumor	antitumor	PROPN
admet-2278	378	18	activity	activity	NOUN
admet-2278	378	19	prediction	prediction	NOUN
admet-2278	378	20	of	of	ADP
admet-2278	378	21	imidazoacridinones	imidazoacridinone	NOUN
admet-2278	378	22	using	use	VERB
admet-2278	378	23	qsar	qsar	NOUN
admet-2278	378	24	strategy	strategy	NOUN
admet-2278	378	25	.	.	PUNCT
admet-2278	379	1	journal	journal	NOUN
admet-2278	379	2	of	of	ADP
admet-2278	379	3	pharmaceutical	pharmaceutical	NOUN
admet-2278	379	4	and	and	CCONJ
admet-2278	379	5	biomedical	biomedical	ADJ
admet-2278	379	6	analysis	analysis	NOUN
admet-2278	379	7	64	64	NUM
admet-2278	379	8	-	-	SYM
admet-2278	379	9	65	65	NUM
admet-2278	379	10	(	(	PUNCT
admet-2278	379	11	2012	2012	NUM
admet-2278	379	12	)	)	PUNCT
admet-2278	379	13	87	87	NUM
admet-2278	379	14	-	-	SYM
admet-2278	379	15	93	93	NUM
admet-2278	379	16	.	.	PUNCT
admet-2278	380	1	https://doi.org/10.1016/j.jpba.2012.02.010	https://doi.org/10.1016/j.jpba.2012.02.010	NOUN
admet-2278	380	2	[	[	X
admet-2278	380	3	20	20	NUM
admet-2278	380	4	]	]	PUNCT
admet-2278	380	5	k.	k.	PROPN
admet-2278	380	6	nikolic	nikolic	PROPN
admet-2278	380	7	,	,	PUNCT
admet-2278	380	8	s.	s.	PROPN
admet-2278	380	9	filipic	filipic	PROPN
admet-2278	380	10	,	,	PUNCT
admet-2278	380	11	a.	a.	PROPN
admet-2278	380	12	smoliński	smoliński	PROPN
admet-2278	380	13	,	,	PUNCT
admet-2278	380	14	r.	r.	PROPN
admet-2278	380	15	kaliszan	kaliszan	PROPN
admet-2278	380	16	,	,	PUNCT
admet-2278	380	17	d.	d.	PROPN
admet-2278	380	18	agbaba	agbaba	PROPN
admet-2278	380	19	.	.	PUNCT
admet-2278	381	1	partial	partial	ADJ
admet-2278	381	2	least	least	ADV
admet-2278	381	3	square	square	ADJ
admet-2278	381	4	and	and	CCONJ
admet-2278	381	5	hierarchical	hierarchical	ADJ
admet-2278	381	6	clustering	clustering	NOUN
admet-2278	381	7	in	in	ADP
admet-2278	381	8	admet	admet	PROPN
admet-2278	381	9	modelling	modelling	NOUN
admet-2278	381	10	:	:	PUNCT
admet-2278	381	11	prediction	prediction	NOUN
admet-2278	381	12	of	of	ADP
admet-2278	381	13	blood	blood	NOUN
admet-2278	381	14	–	–	PUNCT
admet-2278	381	15	brain	brain	NOUN
admet-2278	381	16	barrier	barrier	NOUN
admet-2278	381	17	permeation	permeation	NOUN
admet-2278	381	18	of	of	ADP
admet-2278	381	19	α	α	NOUN
admet-2278	381	20	-	-	ADJ
admet-2278	381	21	adrenergic	adrenergic	ADJ
admet-2278	381	22	and	and	CCONJ
admet-2278	381	23	imidazoline	imidazoline	NOUN
admet-2278	381	24	receptor	receptor	NOUN
admet-2278	381	25	ligands	ligand	NOUN
admet-2278	381	26	.	.	PUNCT
admet-2278	382	1	the	the	DET
admet-2278	382	2	journal	journal	NOUN
admet-2278	382	3	of	of	ADP
admet-2278	382	4	pharmacy	pharmacy	PROPN
admet-2278	382	5	&	&	CCONJ
admet-2278	382	6	pharmaceutical	pharmaceutical	NOUN
admet-2278	382	7	sciences	science	NOUN
admet-2278	382	8	16	16	NUM
admet-2278	382	9	(	(	PUNCT
admet-2278	382	10	2013	2013	NUM
admet-2278	382	11	)	)	PUNCT
admet-2278	382	12	622–647	622–647	NUM
admet-2278	382	13	.	.	PUNCT
admet-2278	383	1	https://doi.org/10.18433/j3jk5p	https://doi.org/10.18433/j3jk5p	PRON
admet-2278	384	1	[	[	X
admet-2278	384	2	21	21	NUM
admet-2278	384	3	]	]	X
admet-2278	384	4	j.	j.	PROPN
admet-2278	384	5	vucićević	vucićević	PROPN
admet-2278	384	6	,	,	PUNCT
admet-2278	384	7	k.	k.	PROPN
admet-2278	384	8	nikolić	nikolić	PROPN
admet-2278	384	9	,	,	PUNCT
admet-2278	384	10	v.	v.	ADP
admet-2278	384	11	dobričić	dobričić	PROPN
admet-2278	384	12	,	,	PUNCT
admet-2278	384	13	d.	d.	PROPN
admet-2278	384	14	agbaba	agbaba	PROPN
admet-2278	384	15	.	.	PUNCT
admet-2278	384	16	prediction	prediction	NOUN
admet-2278	384	17	of	of	ADP
admet-2278	384	18	blood	blood	NOUN
admet-2278	384	19	–	–	PUNCT
admet-2278	384	20	brain	brain	NOUN
admet-2278	384	21	barrier	barrier	NOUN
admet-2278	384	22	permeation	permeation	NOUN
admet-2278	384	23	of	of	ADP
admet-2278	384	24	aadrenergic	aadrenergic	NOUN
admet-2278	384	25	and	and	CCONJ
admet-2278	384	26	imidazoline	imidazoline	NOUN
admet-2278	384	27	receptor	receptor	NOUN
admet-2278	384	28	ligands	ligand	NOUN
admet-2278	384	29	using	use	VERB
admet-2278	384	30	pampa	pampa	NOUN
admet-2278	384	31	technique	technique	NOUN
admet-2278	384	32	and	and	CCONJ
admet-2278	384	33	quantitative	quantitative	ADJ
admet-2278	384	34	-	-	PUNCT
admet-2278	384	35	structure	structure	NOUN
admet-2278	384	36	permeability	permeability	NOUN
admet-2278	384	37	relationship	relationship	NOUN
admet-2278	384	38	analysis	analysis	NOUN
admet-2278	384	39	.	.	PUNCT
admet-2278	385	1	european	european	ADJ
admet-2278	385	2	journal	journal	PROPN
admet-2278	385	3	of	of	ADP
admet-2278	385	4	pharmaceutical	pharmaceutical	PROPN
admet-2278	385	5	sciences	science	NOUN
admet-2278	385	6	68	68	NUM
admet-2278	385	7	(	(	PUNCT
admet-2278	385	8	2015	2015	NUM
admet-2278	385	9	)	)	PUNCT
admet-2278	385	10	94	94	NUM
admet-2278	385	11	-	-	SYM
admet-2278	385	12	105	105	NUM
admet-2278	385	13	.	.	PUNCT
admet-2278	386	1	http://dx.doi.org/10.1016/j.ejps.2014.12.014	http://dx.doi.org/10.1016/j.ejps.2014.12.014	PROPN
admet-2278	387	1	[	[	X
admet-2278	387	2	22	22	NUM
admet-2278	387	3	]	]	PUNCT
admet-2278	387	4	a.	a.	NOUN
admet-2278	387	5	golbraikh	golbraikh	NOUN
admet-2278	387	6	,	,	PUNCT
admet-2278	387	7	a.	a.	NOUN
admet-2278	387	8	tropsha	tropsha	PROPN
admet-2278	387	9	.	.	PUNCT
admet-2278	388	1	beware	beware	VERB
admet-2278	388	2	of	of	ADP
admet-2278	388	3	q2	q2	NOUN
admet-2278	388	4	!	!	PUNCT
admet-2278	389	1	journal	journal	PROPN
admet-2278	389	2	of	of	ADP
admet-2278	389	3	molecular	molecular	ADJ
admet-2278	389	4	graphics	graphic	NOUN
admet-2278	389	5	and	and	CCONJ
admet-2278	389	6	modelling	model	VERB
admet-2278	389	7	20	20	NUM
admet-2278	389	8	(	(	PUNCT
admet-2278	389	9	2002	2002	NUM
admet-2278	389	10	)	)	PUNCT
admet-2278	389	11	269276	269276	NUM
admet-2278	389	12	.	.	PUNCT
admet-2278	390	1	https://doi.org/10.1016/s1093-3263(01)00123-1	https://doi.org/10.1016/s1093-3263(01)00123-1	PROPN
admet-2278	390	2	https://doi.org/10.5599/admet.2278	https://doi.org/10.5599/admet.2278	PROPN
admet-2278	390	3	http://dx.doi.org/10.1016/j.pharmthera.2017.03.009	http://dx.doi.org/10.1016/j.pharmthera.2017.03.009	PROPN
admet-2278	390	4	https://doi.org/10.3390/pharmaceutics15102381	https://doi.org/10.3390/pharmaceutics15102381	PROPN
admet-2278	390	5	https://doi.org/10.2174/1381612013397366	https://doi.org/10.2174/1381612013397366	ADJ
admet-2278	390	6	https://doir.org/10.1038/nrd1032	https://doir.org/10.1038/nrd1032	X
admet-2278	390	7	https://doi.org/10.1080/10826070802711113	https://doi.org/10.1080/10826070802711113	PROPN
admet-2278	390	8	http://dx.doi.org/10.1016/j.jpba.2016.02.053	http://dx.doi.org/10.1016/j.jpba.2016.02.053	PROPN
admet-2278	390	9	https://doi.org/10.1016/j.chroma.2018.11.051	https://doi.org/10.1016/j.chroma.2018.11.051	ADJ
admet-2278	390	10	https://doi.org/10.1002/elps.201200171	https://doi.org/10.1002/elps.201200171	ADJ
admet-2278	390	11	https://doi.org/10.1021/cr068412z	https://doi.org/10.1021/cr068412z	INTJ
admet-2278	391	1	https://doi.org/10.1016/s0165-9936(99)00120-x	https://doi.org/10.1016/s0165-9936(99)00120-x	PROPN
admet-2278	391	2	https://doi.org/10.1016/s0165-9936(99)00120-x	https://doi.org/10.1016/s0165-9936(99)00120-x	PROPN
admet-2278	391	3	https://doi.org/10.3390/chemosensors10080340	https://doi.org/10.3390/chemosensors10080340	ADJ
admet-2278	391	4	https://doi.org/10.1016/j.microc.2023.108967	https://doi.org/10.1016/j.microc.2023.108967	ADJ
admet-2278	391	5	https://doi.org/10.1016/j.jpba.2012.02.010	https://doi.org/10.1016/j.jpba.2012.02.010	VERB
admet-2278	391	6	https://doi.org/10.18433/j3jk5p	https://doi.org/10.18433/j3jk5p	PROPN
admet-2278	391	7	http://dx.doi.org/10.1016/j.ejps.2014.12.014	http://dx.doi.org/10.1016/j.ejps.2014.12.014	PROPN
admet-2278	391	8	https://doi.org/10.1016/s1093-3263(01)00123-1	https://doi.org/10.1016/s1093-3263(01)00123-1	PROPN
admet-2278	391	9	s.	s.	PROPN
admet-2278	391	10	oljacic	oljacic	VERB
admet-2278	392	1	et	et	PROPN
admet-2278	392	2	al	al	PROPN
admet-2278	392	3	.	.	PROPN
admet-2278	392	4	admet	admet	PROPN
admet-2278	392	5	&	&	CCONJ
admet-2278	392	6	dmpk	dmpk	PROPN
admet-2278	392	7	12(5	12(5	NUM
admet-2278	392	8	)	)	PUNCT
admet-2278	392	9	(	(	PUNCT
admet-2278	392	10	2024	2024	NUM
admet-2278	392	11	)	)	PUNCT
admet-2278	392	12	737	737	NUM
admet-2278	392	13	-	-	SYM
admet-2278	392	14	757	757	NUM
admet-2278	392	15	756	756	NUM
admet-2278	392	16	[	[	X
admet-2278	392	17	23	23	NUM
admet-2278	392	18	]	]	PUNCT
admet-2278	392	19	a.	a.	NOUN
admet-2278	392	20	tropsha	tropsha	PROPN
admet-2278	392	21	,	,	PUNCT
admet-2278	392	22	best	good	ADJ
admet-2278	392	23	practices	practice	NOUN
admet-2278	392	24	for	for	ADP
admet-2278	392	25	qsar	qsar	NOUN
admet-2278	392	26	model	model	NOUN
admet-2278	392	27	development	development	NOUN
admet-2278	392	28	,	,	PUNCT
admet-2278	392	29	validation	validation	NOUN
admet-2278	392	30	and	and	CCONJ
admet-2278	392	31	exploitation	exploitation	NOUN
admet-2278	392	32	,	,	PUNCT
admet-2278	392	33	mol	mol	NOUN
admet-2278	392	34	.	.	PUNCT
admet-2278	392	35	inform	inform	NOUN
admet-2278	392	36	.	.	PUNCT
admet-2278	393	1	29	29	NUM
admet-2278	393	2	(	(	PUNCT
admet-2278	393	3	2010	2010	NUM
admet-2278	393	4	)	)	PUNCT
admet-2278	394	1	476–488	476–488	NUM
admet-2278	394	2	.	.	PUNCT
admet-2278	394	3	https://doi.org/10.1002/minf.201000061	https://doi.org/10.1002/minf.201000061	PRON
admet-2278	395	1	[	[	X
admet-2278	395	2	24	24	NUM
admet-2278	395	3	]	]	X
admet-2278	395	4	p.k	p.k	PROPN
admet-2278	395	5	.	.	PROPN
admet-2278	395	6	ojha	ojha	PROPN
admet-2278	395	7	,	,	PUNCT
admet-2278	395	8	i.	i.	PROPN
admet-2278	395	9	mitra	mitra	PROPN
admet-2278	395	10	,	,	PUNCT
admet-2278	395	11	r.n	r.n	PROPN
admet-2278	395	12	.	.	PROPN
admet-2278	395	13	das	das	PROPN
admet-2278	395	14	,	,	PUNCT
admet-2278	395	15	k.	k.	PROPN
admet-2278	395	16	roy	roy	PROPN
admet-2278	395	17	.	.	PROPN
admet-2278	396	1	further	far	ADV
admet-2278	396	2	exploring	explore	VERB
admet-2278	396	3	rm	rm	PROPN
admet-2278	396	4	2	2	NUM
admet-2278	396	5	metrics	metric	NOUN
admet-2278	396	6	for	for	ADP
admet-2278	396	7	validation	validation	NOUN
admet-2278	396	8	of	of	ADP
admet-2278	396	9	qspr	qspr	NOUN
admet-2278	396	10	models	model	NOUN
admet-2278	396	11	data	datum	NOUN
admet-2278	396	12	set	set	VERB
admet-2278	396	13	.	.	PUNCT
admet-2278	397	1	chemometrics	chemometric	NOUN
admet-2278	397	2	and	and	CCONJ
admet-2278	397	3	intelligent	intelligent	ADJ
admet-2278	397	4	laboratory	laboratory	NOUN
admet-2278	397	5	systems	system	NOUN
admet-2278	397	6	107	107	NUM
admet-2278	397	7	(	(	PUNCT
admet-2278	397	8	2011	2011	NUM
admet-2278	397	9	)	)	PUNCT
admet-2278	397	10	194–205	194–205	NUM
admet-2278	397	11	.	.	PUNCT
admet-2278	398	1	https://doi.org/10.1016/j.chemolab.2011.03.011	https://doi.org/10.1016/j.chemolab.2011.03.011	PROPN
admet-2278	398	2	[	[	SYM
admet-2278	398	3	25	25	NUM
admet-2278	398	4	]	]	X
admet-2278	398	5	a.d	a.d	PROPN
admet-2278	398	6	.	.	PROPN
admet-2278	398	7	becke	becke	PROPN
admet-2278	398	8	.	.	PUNCT
admet-2278	399	1	density	density	NOUN
admet-2278	399	2	-	-	PUNCT
admet-2278	399	3	functional	functional	ADJ
admet-2278	399	4	thermochemistry	thermochemistry	NOUN
admet-2278	399	5	.	.	PUNCT
admet-2278	400	1	iii	iii	X
admet-2278	400	2	.	.	PUNCT
admet-2278	401	1	the	the	DET
admet-2278	401	2	role	role	NOUN
admet-2278	401	3	of	of	ADP
admet-2278	401	4	exact	exact	ADJ
admet-2278	401	5	exchange	exchange	NOUN
admet-2278	401	6	.	.	PUNCT
admet-2278	402	1	the	the	DET
admet-2278	402	2	journal	journal	PROPN
admet-2278	402	3	of	of	ADP
admet-2278	402	4	chemical	chemical	PROPN
admet-2278	402	5	physics	physic	NOUN
admet-2278	402	6	98	98	NUM
admet-2278	402	7	(	(	PUNCT
admet-2278	402	8	1993	1993	NUM
admet-2278	402	9	)	)	PUNCT
admet-2278	402	10	5648	5648	NUM
admet-2278	402	11	-	-	SYM
admet-2278	402	12	5652	5652	NUM
admet-2278	402	13	.	.	PUNCT
admet-2278	403	1	https://doi.org/10.1063/1.464913	https://doi.org/10.1063/1.464913	PROPN
admet-2278	403	2	[	[	X
admet-2278	403	3	26	26	NUM
admet-2278	403	4	]	]	X
admet-2278	403	5	c.	c.	PROPN
admet-2278	403	6	lee	lee	PROPN
admet-2278	403	7	,	,	PUNCT
admet-2278	403	8	w.	w.	PROPN
admet-2278	403	9	yang	yang	PROPN
admet-2278	403	10	,	,	PUNCT
admet-2278	403	11	r.g	r.g	PROPN
admet-2278	403	12	.	.	PROPN
admet-2278	403	13	parr	parr	PROPN
admet-2278	403	14	.	.	PUNCT
admet-2278	404	1	development	development	NOUN
admet-2278	404	2	of	of	ADP
admet-2278	404	3	the	the	DET
admet-2278	404	4	colle	colle	NOUN
admet-2278	404	5	-	-	PUNCT
admet-2278	404	6	salvetti	salvetti	VERB
admet-2278	404	7	correlation	correlation	NOUN
admet-2278	404	8	-	-	PUNCT
admet-2278	404	9	energy	energy	NOUN
admet-2278	404	10	formula	formula	NOUN
admet-2278	404	11	into	into	ADP
admet-2278	404	12	a	a	DET
admet-2278	404	13	functional	functional	NOUN
admet-2278	404	14	of	of	ADP
admet-2278	404	15	the	the	DET
admet-2278	404	16	electron	electron	NOUN
admet-2278	404	17	density	density	NOUN
admet-2278	404	18	.	.	PUNCT
admet-2278	405	1	physical	physical	PROPN
admet-2278	405	2	review	review	PROPN
admet-2278	405	3	b	b	PROPN
admet-2278	405	4	37	37	NUM
admet-2278	405	5	(	(	PUNCT
admet-2278	405	6	1988	1988	NUM
admet-2278	405	7	)	)	PUNCT
admet-2278	405	8	785	785	NUM
admet-2278	405	9	-	-	SYM
admet-2278	405	10	789	789	NUM
admet-2278	405	11	.	.	PUNCT
admet-2278	406	1	https://doi.org/10.1103/physrevb.37.785	https://doi.org/10.1103/physrevb.37.785	PROPN
admet-2278	407	1	[	[	X
admet-2278	407	2	27	27	NUM
admet-2278	407	3	]	]	X
admet-2278	407	4	m.j	m.j	PROPN
admet-2278	407	5	.	.	PROPN
admet-2278	407	6	frisch	frisch	PROPN
admet-2278	407	7	,	,	PUNCT
admet-2278	407	8	g.w	g.w	PROPN
admet-2278	407	9	.	.	PROPN
admet-2278	407	10	trucks	trucks	PROPN
admet-2278	407	11	,	,	PUNCT
admet-2278	407	12	h.b	h.b	PROPN
admet-2278	407	13	.	.	PROPN
admet-2278	407	14	schlegel	schlegel	PROPN
admet-2278	407	15	,	,	PUNCT
admet-2278	407	16	g.e	g.e	PROPN
admet-2278	407	17	.	.	PROPN
admet-2278	407	18	scuseria	scuseria	PROPN
admet-2278	407	19	,	,	PUNCT
admet-2278	407	20	m.a	m.a	PROPN
admet-2278	407	21	.	.	PROPN
admet-2278	407	22	robb	robb	PROPN
admet-2278	407	23	,	,	PUNCT
admet-2278	407	24	j.r	j.r	PROPN
admet-2278	407	25	.	.	PROPN
admet-2278	407	26	cheeseman	cheeseman	PROPN
admet-2278	407	27	,	,	PUNCT
admet-2278	407	28	v.g	v.g	PROPN
admet-2278	407	29	.	.	PROPN
admet-2278	407	30	zakrzewski	zakrzewski	PROPN
admet-2278	407	31	,	,	PUNCT
admet-2278	407	32	j.a.jr	j.a.jr	PROPN
admet-2278	407	33	.	.	PUNCT
admet-2278	408	1	montgomery	montgomery	PROPN
admet-2278	408	2	,	,	PUNCT
admet-2278	408	3	r.e	r.e	PROPN
admet-2278	408	4	.	.	PROPN
admet-2278	408	5	stratmann	stratmann	PROPN
admet-2278	408	6	,	,	PUNCT
admet-2278	408	7	j.c	j.c	PROPN
admet-2278	408	8	.	.	PROPN
admet-2278	408	9	burant	burant	PROPN
admet-2278	408	10	,	,	PUNCT
admet-2278	408	11	s.	s.	PROPN
admet-2278	408	12	dapprich	dapprich	PROPN
admet-2278	408	13	,	,	PUNCT
admet-2278	408	14	j.m	j.m	PROPN
admet-2278	408	15	.	.	PROPN
admet-2278	408	16	millam	millam	PROPN
admet-2278	408	17	,	,	PUNCT
admet-2278	408	18	a.d	a.d	PROPN
admet-2278	408	19	.	.	PROPN
admet-2278	408	20	daniels	daniels	PROPN
admet-2278	408	21	,	,	PUNCT
admet-2278	408	22	k.n	k.n	PROPN
admet-2278	408	23	.	.	PROPN
admet-2278	408	24	kudin	kudin	PROPN
admet-2278	408	25	,	,	PUNCT
admet-2278	408	26	m.c	m.c	PROPN
admet-2278	408	27	.	.	PROPN
admet-2278	408	28	strain	strain	PROPN
admet-2278	408	29	,	,	PUNCT
admet-2278	408	30	o.	o.	PROPN
admet-2278	408	31	farkas	farkas	PROPN
admet-2278	408	32	,	,	PUNCT
admet-2278	408	33	j.	j.	PROPN
admet-2278	408	34	tomasi	tomasi	PROPN
admet-2278	408	35	,	,	PUNCT
admet-2278	408	36	v.	v.	PROPN
admet-2278	408	37	barone	barone	PROPN
admet-2278	408	38	,	,	PUNCT
admet-2278	408	39	m.	m.	NOUN
admet-2278	408	40	cossi	cossi	PROPN
admet-2278	408	41	,	,	PUNCT
admet-2278	408	42	r.	r.	PROPN
admet-2278	408	43	cammi	cammi	PROPN
admet-2278	408	44	,	,	PUNCT
admet-2278	408	45	b.	b.	PROPN
admet-2278	408	46	mennucci	mennucci	PROPN
admet-2278	408	47	,	,	PUNCT
admet-2278	408	48	,	,	PUNCT
admet-2278	408	49	c.	c.	PROPN
admet-2278	408	50	pomelli	pomelli	PROPN
admet-2278	408	51	,	,	PUNCT
admet-2278	408	52	c.	c.	PROPN
admet-2278	408	53	adamo	adamo	PROPN
admet-2278	408	54	,	,	PUNCT
admet-2278	408	55	s.	s.	PROPN
admet-2278	408	56	clifford	clifford	PROPN
admet-2278	408	57	,	,	PUNCT
admet-2278	408	58	j.	j.	PROPN
admet-2278	408	59	ochterski	ochterski	PROPN
admet-2278	408	60	,	,	PUNCT
admet-2278	408	61	g.a	g.a	PROPN
admet-2278	408	62	.	.	PROPN
admet-2278	408	63	petersson	petersson	PROPN
admet-2278	408	64	,	,	PUNCT
admet-2278	408	65	p.y	p.y	PROPN
admet-2278	408	66	.	.	PROPN
admet-2278	408	67	ayala	ayala	PROPN
admet-2278	408	68	,	,	PUNCT
admet-2278	408	69	q.	q.	PROPN
admet-2278	408	70	cui	cui	PROPN
admet-2278	408	71	,	,	PUNCT
admet-2278	408	72	k.	k.	PROPN
admet-2278	408	73	morokuma	morokuma	PROPN
admet-2278	408	74	,	,	PUNCT
admet-2278	408	75	d.k	d.k	PROPN
admet-2278	408	76	.	.	PROPN
admet-2278	408	77	malick	malick	PROPN
admet-2278	408	78	,	,	PUNCT
admet-2278	408	79	a.d	a.d	PROPN
admet-2278	408	80	.	.	PROPN
admet-2278	408	81	rabuck	rabuck	PROPN
admet-2278	408	82	,	,	PUNCT
admet-2278	408	83	k.	k.	PROPN
admet-2278	408	84	raghavachari	raghavachari	PROPN
admet-2278	408	85	,	,	PUNCT
admet-2278	408	86	j.	j.	PROPN
admet-2278	408	87	b.	b.	PROPN
admet-2278	408	88	foresman	foresman	PROPN
admet-2278	408	89	,	,	PUNCT
admet-2278	408	90	j.	j.	PROPN
admet-2278	408	91	cioslowski	cioslowski	PROPN
admet-2278	408	92	,	,	PUNCT
admet-2278	408	93	j.v	j.v	PROPN
admet-2278	408	94	.	.	PROPN
admet-2278	408	95	ortiz	ortiz	PROPN
admet-2278	408	96	,	,	PUNCT
admet-2278	408	97	a.g	a.g	PROPN
admet-2278	408	98	.	.	PROPN
admet-2278	408	99	baboul	baboul	PROPN
admet-2278	408	100	,	,	PUNCT
admet-2278	408	101	b.b	b.b	PROPN
admet-2278	408	102	.	.	PROPN
admet-2278	408	103	stefanov	stefanov	PROPN
admet-2278	408	104	,	,	PUNCT
admet-2278	408	105	g.	g.	PROPN
admet-2278	408	106	liu	liu	PROPN
admet-2278	408	107	,	,	PUNCT
admet-2278	408	108	a.	a.	PROPN
admet-2278	408	109	liashenko	liashenko	PROPN
admet-2278	408	110	,	,	PUNCT
admet-2278	408	111	p.	p.	PROPN
admet-2278	408	112	piskorz	piskorz	PROPN
admet-2278	408	113	,	,	PUNCT
admet-2278	408	114	i.	i.	NOUN
admet-2278	408	115	komaromi	komaromi	PROPN
admet-2278	408	116	,	,	PUNCT
admet-2278	408	117	r.	r.	PROPN
admet-2278	408	118	gomperts	gomperts	PROPN
admet-2278	408	119	,	,	PUNCT
admet-2278	408	120	r.l	r.l	PROPN
admet-2278	408	121	.	.	PROPN
admet-2278	408	122	martin	martin	PROPN
admet-2278	408	123	,	,	PUNCT
admet-2278	408	124	d.j	d.j	PROPN
admet-2278	408	125	.	.	PROPN
admet-2278	408	126	fox	fox	PROPN
admet-2278	408	127	,	,	PUNCT
admet-2278	408	128	t.	t.	PROPN
admet-2278	408	129	keith	keith	PROPN
admet-2278	408	130	,	,	PUNCT
admet-2278	408	131	m.a	m.a	PROPN
admet-2278	408	132	.	.	PROPN
admet-2278	408	133	al	al	PROPN
admet-2278	408	134	-	-	PUNCT
admet-2278	408	135	laham	laham	PROPN
admet-2278	408	136	,	,	PUNCT
admet-2278	408	137	c.y	c.y	PROPN
admet-2278	408	138	peng	peng	PROPN
admet-2278	408	139	,	,	PUNCT
admet-2278	408	140	a.	a.	NOUN
admet-2278	408	141	nanayakkara	nanayakkara	PROPN
admet-2278	408	142	,	,	PUNCT
admet-2278	408	143	c.	c.	PROPN
admet-2278	408	144	gonzalez	gonzalez	PROPN
admet-2278	408	145	,	,	PUNCT
admet-2278	408	146	m.	m.	NOUN
admet-2278	408	147	challacombe	challacombe	NOUN
admet-2278	408	148	,	,	PUNCT
admet-2278	408	149	p.m.w	p.m.w	INTJ
admet-2278	408	150	.	.	PUNCT
admet-2278	409	1	gill	gill	PROPN
admet-2278	409	2	,	,	PUNCT
admet-2278	409	3	b.g	b.g	PROPN
admet-2278	409	4	.	.	PROPN
admet-2278	409	5	johnson	johnson	PROPN
admet-2278	409	6	,	,	PUNCT
admet-2278	409	7	w.	w.	PROPN
admet-2278	409	8	chen	chen	PROPN
admet-2278	409	9	,	,	PUNCT
admet-2278	409	10	m.w	m.w	PROPN
admet-2278	409	11	.	.	PROPN
admet-2278	409	12	wong	wong	PROPN
admet-2278	409	13	,	,	PUNCT
admet-2278	409	14	j.l	j.l	PROPN
admet-2278	409	15	.	.	PROPN
admet-2278	409	16	andres	andres	PROPN
admet-2278	409	17	,	,	PUNCT
admet-2278	409	18	m.	m.	NOUN
admet-2278	409	19	head	head	PROPN
admet-2278	409	20	-	-	PUNCT
admet-2278	409	21	gordon	gordon	PROPN
admet-2278	409	22	,	,	PUNCT
admet-2278	409	23	e.s	e.s	PROPN
admet-2278	409	24	.	.	PROPN
admet-2278	409	25	replogle	replogle	PROPN
admet-2278	409	26	,	,	PUNCT
admet-2278	409	27	j.a	j.a	PROPN
admet-2278	409	28	.	.	PROPN
admet-2278	409	29	pople	pople	PROPN
admet-2278	409	30	.	.	PUNCT
admet-2278	410	1	gaussian	gaussian	ADJ
admet-2278	410	2	98	98	NUM
admet-2278	410	3	(	(	PUNCT
admet-2278	410	4	revision	revision	NOUN
admet-2278	410	5	a.7	a.7	NOUN
admet-2278	410	6	)	)	PUNCT
admet-2278	410	7	,	,	PUNCT
admet-2278	410	8	gaussian	gaussian	PROPN
admet-2278	410	9	,	,	PUNCT
admet-2278	410	10	inc	inc	PROPN
admet-2278	410	11	.	.	PROPN
admet-2278	410	12	,	,	PUNCT
admet-2278	410	13	pittsburgh	pittsburgh	PROPN
admet-2278	410	14	,	,	PUNCT
admet-2278	410	15	pa	pa	PROPN
admet-2278	410	16	1998	1998	NUM
admet-2278	410	17	.	.	PUNCT
admet-2278	411	1	https://gaussian.com/	https://gaussian.com/	NOUN
admet-2278	411	2	[	[	X
admet-2278	411	3	28	28	NUM
admet-2278	411	4	]	]	X
admet-2278	411	5	chemaxon	chemaxon	NOUN
admet-2278	411	6	marvin	marvin	PROPN
admet-2278	411	7	5.5.1.0	5.5.1.0	PROPN
admet-2278	411	8	program	program	NOUN
admet-2278	411	9	,	,	PUNCT
admet-2278	411	10	budapest	budapest	PROPN
admet-2278	411	11	,	,	PUNCT
admet-2278	411	12	hungary	hungary	PROPN
admet-2278	411	13	,	,	PUNCT
admet-2278	411	14	2011	2011	NUM
admet-2278	411	15	.	.	PUNCT
admet-2278	412	1	www.chemaxon.com/products.html	www.chemaxon.com/products.html	PROPN
admet-2278	413	1	[	[	X
admet-2278	413	2	29	29	NUM
admet-2278	413	3	]	]	X
admet-2278	413	4	dragon	dragon	NOUN
admet-2278	413	5	6	6	NUM
admet-2278	413	6	,	,	PUNCT
admet-2278	413	7	talete	talete	PROPN
admet-2278	413	8	srl	srl	PROPN
admet-2278	413	9	,	,	PUNCT
admet-2278	413	10	via	via	ADP
admet-2278	413	11	v.	v.	PROPN
admet-2278	413	12	pisani	pisani	NOUN
admet-2278	413	13	,	,	PUNCT
admet-2278	413	14	13	13	NUM
admet-2278	413	15	20124	20124	NUM
admet-2278	413	16	milano	milano	PROPN
admet-2278	413	17	–	–	PUNCT
admet-2278	413	18	italy	italy	PROPN
admet-2278	413	19	.	.	PUNCT
admet-2278	414	1	http://www.talete.mi.it	http://www.talete.mi.it	PRON
admet-2278	414	2	[	[	X
admet-2278	414	3	30	30	NUM
admet-2278	414	4	]	]	X
admet-2278	414	5	cs	cs	PROPN
admet-2278	414	6	chem3d	chem3d	NOUN
admet-2278	414	7	ultra	ultra	ADJ
admet-2278	414	8	7.0	7.0	NUM
admet-2278	414	9	,	,	PUNCT
admet-2278	414	10	cambridge	cambridge	PROPN
admet-2278	414	11	soft	soft	ADJ
admet-2278	414	12	corporation	corporation	NOUN
admet-2278	414	13	,	,	PUNCT
admet-2278	414	14	(	(	PUNCT
admet-2278	414	15	property	property	NOUN
admet-2278	414	16	picker	picker	NOUN
admet-2278	414	17	activex	activex	PROPN
admet-2278	414	18	control	control	PROPN
admet-2278	414	19	)	)	PUNCT
admet-2278	414	20	,	,	PUNCT
admet-2278	414	21	100	100	NUM
admet-2278	414	22	cambridge	cambridge	PROPN
admet-2278	414	23	park	park	PROPN
admet-2278	414	24	dr	dr	PROPN
admet-2278	414	25	.	.	PROPN
admet-2278	414	26	cambridge	cambridge	PROPN
admet-2278	414	27	,	,	PUNCT
admet-2278	414	28	ma	ma	PROPN
admet-2278	414	29	02140	02140	PROPN
admet-2278	414	30	-	-	SYM
admet-2278	414	31	2317	2317	NUM
admet-2278	414	32	u.s.a	u.s.a	NOUN
admet-2278	414	33	.	.	PROPN
admet-2278	414	34	,	,	PUNCT
admet-2278	414	35	2001	2001	NUM
admet-2278	414	36	.	.	PUNCT
admet-2278	415	1	http://www.cambridgesoft.com/	http://www.cambridgesoft.com/	NOUN
admet-2278	416	1	[	[	X
admet-2278	416	2	31	31	NUM
admet-2278	416	3	]	]	X
admet-2278	416	4	r.g	r.g	PROPN
admet-2278	416	5	.	.	PROPN
admet-2278	416	6	parr	parr	PROPN
admet-2278	416	7	,	,	PUNCT
admet-2278	416	8	r.g	r.g	PROPN
admet-2278	416	9	.	.	PROPN
admet-2278	416	10	pearson	pearson	PROPN
admet-2278	416	11	.	.	PUNCT
admet-2278	417	1	absolute	absolute	ADJ
admet-2278	417	2	hardness	hardness	NOUN
admet-2278	417	3	:	:	PUNCT
admet-2278	417	4	companion	companion	NOUN
admet-2278	417	5	parameter	parameter	NOUN
admet-2278	417	6	to	to	ADP
admet-2278	417	7	absolute	absolute	ADJ
admet-2278	417	8	electronegativity	electronegativity	NOUN
admet-2278	417	9	.	.	PUNCT
admet-2278	418	1	journal	journal	NOUN
admet-2278	418	2	of	of	ADP
admet-2278	418	3	the	the	DET
admet-2278	418	4	american	american	PROPN
admet-2278	418	5	chemical	chemical	PROPN
admet-2278	418	6	society	society	PROPN
admet-2278	418	7	105	105	NUM
admet-2278	418	8	(	(	PUNCT
admet-2278	418	9	1983	1983	NUM
admet-2278	418	10	)	)	PUNCT
admet-2278	418	11	7512	7512	NUM
admet-2278	418	12	-	-	SYM
admet-2278	418	13	7516	7516	NUM
admet-2278	418	14	.	.	PUNCT
admet-2278	419	1	https://doi.org/10.1021/ja00364a005	https://doi.org/10.1021/ja00364a005	PROPN
admet-2278	419	2	[	[	PUNCT
admet-2278	419	3	32	32	NUM
admet-2278	419	4	]	]	PUNCT
admet-2278	419	5	a.	a.	NOUN
admet-2278	419	6	rácz	rácz	PROPN
admet-2278	419	7	,	,	PUNCT
admet-2278	419	8	d.	d.	PROPN
admet-2278	419	9	bajusz	bajusz	PROPN
admet-2278	419	10	,	,	PUNCT
admet-2278	419	11	k.	k.	PROPN
admet-2278	419	12	héberger	héberger	PROPN
admet-2278	419	13	.	.	PUNCT
admet-2278	420	1	intercorrelation	intercorrelation	NOUN
admet-2278	420	2	limits	limit	NOUN
admet-2278	420	3	in	in	ADP
admet-2278	420	4	molecular	molecular	ADJ
admet-2278	420	5	descriptor	descriptor	NOUN
admet-2278	420	6	preselection	preselection	NOUN
admet-2278	420	7	for	for	ADP
admet-2278	420	8	qsar	qsar	NOUN
admet-2278	420	9	/	/	SYM
admet-2278	420	10	qspr	qspr	NOUN
admet-2278	420	11	.	.	PUNCT
admet-2278	421	1	molecular	molecular	ADJ
admet-2278	421	2	informatics	informatic	NOUN
admet-2278	421	3	38	38	NUM
admet-2278	421	4	(	(	PUNCT
admet-2278	421	5	2019	2019	NUM
admet-2278	421	6	)	)	PUNCT
admet-2278	421	7	1800154	1800154	NUM
admet-2278	421	8	.	.	PUNCT
admet-2278	422	1	https://doi.org/10.1002/minf.201800154	https://doi.org/10.1002/minf.201800154	PROPN
admet-2278	423	1	[	[	X
admet-2278	423	2	33	33	NUM
admet-2278	423	3	]	]	PUNCT
admet-2278	423	4	umetrics	umetrics	PROPN
admet-2278	423	5	ab	ab	PROPN
admet-2278	423	6	,	,	PUNCT
admet-2278	423	7	simca	simca	PROPN
admet-2278	423	8	p+	p+	PROPN
admet-2278	423	9	program	program	NOUN
admet-2278	423	10	,	,	PUNCT
admet-2278	423	11	version	version	NOUN
admet-2278	423	12	12.0.0.0	12.0.0.0	NUM
admet-2278	423	13	,	,	PUNCT
admet-2278	423	14	umeå	umeå	ADJ
admet-2278	423	15	,	,	PUNCT
admet-2278	423	16	may	may	AUX
admet-2278	423	17	20	20	NUM
admet-2278	423	18	,	,	PUNCT
admet-2278	423	19	2008	2008	NUM
admet-2278	423	20	,	,	PUNCT
admet-2278	423	21	www.umetrics.com	www.umetrics.com	X
admet-2278	423	22	.	.	PUNCT
admet-2278	424	1	[	[	X
admet-2278	424	2	34	34	NUM
admet-2278	424	3	]	]	X
admet-2278	424	4	s.	s.	PROPN
admet-2278	424	5	wold	wold	PROPN
admet-2278	424	6	,	,	PUNCT
admet-2278	424	7	e.	e.	PROPN
admet-2278	424	8	johansson	johansson	PROPN
admet-2278	424	9	,	,	PUNCT
admet-2278	424	10	m.	m.	NOUN
admet-2278	424	11	cocchi	cocchi	PROPN
admet-2278	424	12	,	,	PUNCT
admet-2278	424	13	in	in	ADP
admet-2278	424	14	:	:	PUNCT
admet-2278	424	15	h.	h.	PROPN
admet-2278	424	16	kubinyi	kubinyi	PROPN
admet-2278	424	17	,	,	PUNCT
admet-2278	424	18	(	(	PUNCT
admet-2278	424	19	ed	ed	NOUN
admet-2278	424	20	.	.	PUNCT
admet-2278	424	21	)	)	PUNCT
admet-2278	424	22	,	,	PUNCT
admet-2278	424	23	3d	3d	NUM
admet-2278	424	24	qsar	qsar	NOUN
admet-2278	424	25	in	in	ADP
admet-2278	424	26	drug	drug	NOUN
admet-2278	424	27	design	design	NOUN
admet-2278	424	28	,	,	PUNCT
admet-2278	424	29	theory	theory	NOUN
admet-2278	424	30	,	,	PUNCT
admet-2278	424	31	methods	method	NOUN
admet-2278	424	32	,	,	PUNCT
admet-2278	424	33	and	and	CCONJ
admet-2278	424	34	applications	application	NOUN
admet-2278	424	35	,	,	PUNCT
admet-2278	424	36	escom	escom	NOUN
admet-2278	424	37	science	science	NOUN
admet-2278	424	38	publishers	publisher	NOUN
admet-2278	424	39	,	,	PUNCT
admet-2278	424	40	leiden	leiden	PROPN
admet-2278	424	41	1993	1993	NUM
admet-2278	424	42	,	,	PUNCT
admet-2278	424	43	pp	pp	ADJ
admet-2278	424	44	.	.	PUNCT
admet-2278	425	1	523	523	NUM
admet-2278	425	2	-	-	SYM
admet-2278	425	3	550	550	NUM
admet-2278	425	4	.	.	PUNCT
admet-2278	426	1	[	[	X
admet-2278	426	2	35	35	NUM
admet-2278	426	3	]	]	X
admet-2278	426	4	p.k	p.k	PROPN
admet-2278	426	5	.	.	PROPN
admet-2278	426	6	ojha	ojha	PROPN
admet-2278	426	7	,	,	PUNCT
admet-2278	426	8	k.	k.	PROPN
admet-2278	426	9	roy	roy	PROPN
admet-2278	426	10	.	.	PROPN
admet-2278	426	11	comparative	comparative	ADJ
admet-2278	426	12	qsars	qsar	NOUN
admet-2278	426	13	for	for	ADP
admet-2278	426	14	antimalarial	antimalarial	ADJ
admet-2278	426	15	endochins	endochin	NOUN
admet-2278	426	16	:	:	PUNCT
admet-2278	426	17	importance	importance	NOUN
admet-2278	426	18	of	of	ADP
admet-2278	426	19	descriptor	descriptor	NOUN
admet-2278	426	20	thinning	thinning	NOUN
admet-2278	426	21	and	and	CCONJ
admet-2278	426	22	noise	noise	NOUN
admet-2278	426	23	reduction	reduction	NOUN
admet-2278	426	24	prior	prior	ADV
admet-2278	426	25	to	to	ADP
admet-2278	426	26	feature	feature	NOUN
admet-2278	426	27	selection	selection	NOUN
admet-2278	426	28	.	.	PUNCT
admet-2278	427	1	chemometrics	chemometric	NOUN
admet-2278	427	2	and	and	CCONJ
admet-2278	427	3	intelligent	intelligent	ADJ
admet-2278	427	4	laboratory	laboratory	NOUN
admet-2278	427	5	systems	system	NOUN
admet-2278	427	6	109	109	NUM
admet-2278	427	7	(	(	PUNCT
admet-2278	427	8	2011	2011	NUM
admet-2278	427	9	)	)	PUNCT
admet-2278	427	10	146	146	NUM
admet-2278	427	11	-	-	SYM
admet-2278	427	12	161	161	NUM
admet-2278	427	13	.	.	PUNCT
admet-2278	428	1	https://doi.org/10.1016/j.chemolab.2011.08.007	https://doi.org/10.1016/j.chemolab.2011.08.007	VERB
admet-2278	428	2	[	[	X
admet-2278	428	3	36	36	NUM
admet-2278	428	4	]	]	PUNCT
admet-2278	428	5	statistica	statistica	PROPN
admet-2278	428	6	neural	neural	PROPN
admet-2278	428	7	networks	network	NOUN
admet-2278	428	8	4.0	4.0	NUM
admet-2278	428	9	,	,	PUNCT
admet-2278	428	10	statsoft	statsoft	PROPN
admet-2278	428	11	,	,	PUNCT
admet-2278	428	12	inc	inc	PROPN
admet-2278	428	13	.	.	PROPN
admet-2278	428	14	,	,	PUNCT
admet-2278	428	15	tulsa	tulsa	PROPN
admet-2278	428	16	,	,	PUNCT
admet-2278	428	17	ok	ok	INTJ
admet-2278	428	18	,	,	PUNCT
admet-2278	428	19	1998	1998	NUM
admet-2278	428	20	.	.	PUNCT
admet-2278	429	1	[	[	X
admet-2278	429	2	37	37	NUM
admet-2278	429	3	]	]	X
admet-2278	429	4	l.	l.	PROPN
admet-2278	429	5	eriksson	eriksson	PROPN
admet-2278	429	6	,	,	PUNCT
admet-2278	429	7	e.	e.	PROPN
admet-2278	429	8	johansson	johansson	PROPN
admet-2278	429	9	,	,	PUNCT
admet-2278	429	10	n.	n.	PROPN
admet-2278	429	11	kettaneh	kettaneh	PROPN
admet-2278	429	12	-	-	PUNCT
admet-2278	429	13	wold	wold	PROPN
admet-2278	429	14	,	,	PUNCT
admet-2278	429	15	j.	j.	PROPN
admet-2278	429	16	trygg	trygg	PROPN
admet-2278	429	17	,	,	PUNCT
admet-2278	429	18	c.	c.	PROPN
admet-2278	429	19	wikstrom	wikstrom	PROPN
admet-2278	429	20	,	,	PUNCT
admet-2278	429	21	s.	s.	PROPN
admet-2278	429	22	wol	wol	PROPN
admet-2278	429	23	(	(	PUNCT
admet-2278	429	24	eds	ed	NOUN
admet-2278	429	25	.	.	PUNCT
admet-2278	429	26	)	)	PUNCT
admet-2278	429	27	,	,	PUNCT
admet-2278	429	28	multi	multi	ADJ
admet-2278	429	29	-	-	ADJ
admet-2278	429	30	and	and	CCONJ
admet-2278	429	31	megavariate	megavariate	ADJ
admet-2278	429	32	data	datum	NOUN
admet-2278	429	33	analysis	analysis	NOUN
admet-2278	429	34	.	.	PUNCT
admet-2278	430	1	basic	basic	ADJ
admet-2278	430	2	principles	principle	NOUN
admet-2278	430	3	and	and	CCONJ
admet-2278	430	4	applications	application	NOUN
admet-2278	430	5	i	i	PRON
admet-2278	430	6	,	,	PUNCT
admet-2278	430	7	2nd	2nd	ADJ
admet-2278	430	8	edn	edn	PROPN
admet-2278	430	9	.	.	PUNCT
admet-2278	431	1	umetrics	umetrics	PROPN
admet-2278	431	2	academy	academy	PROPN
admet-2278	431	3	,	,	PUNCT
admet-2278	431	4	umeå	umeå	PROPN
admet-2278	431	5	,	,	PUNCT
admet-2278	431	6	2001	2001	NUM
admet-2278	431	7	.	.	PUNCT
admet-2278	432	1	[	[	X
admet-2278	432	2	38	38	NUM
admet-2278	432	3	]	]	PUNCT
admet-2278	432	4	c.	c.	NOUN
admet-2278	432	5	giaginis	giaginis	PROPN
admet-2278	432	6	,	,	PUNCT
admet-2278	432	7	a.	a.	NOUN
admet-2278	432	8	tsantili	tsantili	NOUN
admet-2278	432	9	-	-	PUNCT
admet-2278	432	10	kakoulidou	kakoulidou	NOUN
admet-2278	432	11	.	.	PUNCT
admet-2278	433	1	current	current	ADJ
admet-2278	433	2	state	state	NOUN
admet-2278	433	3	of	of	ADP
admet-2278	433	4	the	the	DET
admet-2278	433	5	art	art	NOUN
admet-2278	433	6	in	in	ADP
admet-2278	433	7	hplc	hplc	NOUN
admet-2278	433	8	methodology	methodology	NOUN
admet-2278	433	9	for	for	ADP
admet-2278	433	10	lipophilicity	lipophilicity	NOUN
admet-2278	433	11	assessment	assessment	NOUN
admet-2278	433	12	of	of	ADP
admet-2278	433	13	basic	basic	ADJ
admet-2278	433	14	drugs	drug	NOUN
admet-2278	433	15	.	.	PUNCT
admet-2278	434	1	a	a	DET
admet-2278	434	2	review	review	NOUN
admet-2278	434	3	.	.	PUNCT
admet-2278	435	1	journal	journal	NOUN
admet-2278	435	2	of	of	ADP
admet-2278	435	3	liquid	liquid	ADJ
admet-2278	435	4	chromatography	chromatography	NOUN
admet-2278	435	5	&	&	CCONJ
admet-2278	435	6	related	related	ADJ
admet-2278	435	7	technologies	technology	NOUN
admet-2278	435	8	31	31	NUM
admet-2278	435	9	(	(	PUNCT
admet-2278	435	10	2008	2008	NUM
admet-2278	435	11	)	)	PUNCT
admet-2278	435	12	79	79	NUM
admet-2278	435	13	-	-	SYM
admet-2278	435	14	96	96	NUM
admet-2278	435	15	.	.	PUNCT
admet-2278	436	1	https://doi.org/10.1080/1082607070166562679	https://doi.org/10.1080/1082607070166562679	NOUN
admet-2278	437	1	[	[	X
admet-2278	437	2	39	39	NUM
admet-2278	437	3	]	]	PUNCT
admet-2278	437	4	f.	f.	NOUN
admet-2278	437	5	burden	burden	PROPN
admet-2278	437	6	.	.	PUNCT
admet-2278	438	1	molecular	molecular	ADJ
admet-2278	438	2	identification	identification	NOUN
admet-2278	438	3	number	number	NOUN
admet-2278	438	4	for	for	ADP
admet-2278	438	5	substructure	substructure	NOUN
admet-2278	438	6	searches	search	NOUN
admet-2278	438	7	.	.	PUNCT
admet-2278	439	1	the	the	DET
admet-2278	439	2	journal	journal	NOUN
admet-2278	439	3	for	for	ADP
admet-2278	439	4	chemical	chemical	ADJ
admet-2278	439	5	information	information	NOUN
admet-2278	439	6	and	and	CCONJ
admet-2278	439	7	computer	computer	NOUN
admet-2278	439	8	scientists	scientist	NOUN
admet-2278	439	9	29	29	NUM
admet-2278	439	10	(	(	PUNCT
admet-2278	439	11	1989	1989	NUM
admet-2278	439	12	)	)	PUNCT
admet-2278	439	13	225	225	NUM
admet-2278	439	14	-	-	SYM
admet-2278	439	15	227	227	NUM
admet-2278	439	16	.	.	PUNCT
admet-2278	440	1	https://doi.org/10.1021/ci00063a011	https://doi.org/10.1021/ci00063a011	PROPN
admet-2278	441	1	[	[	X
admet-2278	441	2	40	40	NUM
admet-2278	441	3	]	]	PUNCT
admet-2278	441	4	e.	e.	PROPN
admet-2278	441	5	estrada	estrada	PROPN
admet-2278	441	6	.	.	PUNCT
admet-2278	442	1	spectral	spectral	ADJ
admet-2278	442	2	moments	moment	NOUN
admet-2278	442	3	of	of	ADP
admet-2278	442	4	the	the	DET
admet-2278	442	5	edge	edge	NOUN
admet-2278	442	6	adjacency	adjacency	NOUN
admet-2278	442	7	matrix	matrix	NOUN
admet-2278	442	8	in	in	ADP
admet-2278	442	9	molecular	molecular	ADJ
admet-2278	442	10	graphs	graph	NOUN
admet-2278	442	11	.	.	PUNCT
admet-2278	443	1	1	1	X
admet-2278	443	2	.	.	X
admet-2278	443	3	definition	definition	NOUN
admet-2278	443	4	and	and	CCONJ
admet-2278	443	5	applications	application	NOUN
admet-2278	443	6	to	to	ADP
admet-2278	443	7	the	the	DET
admet-2278	443	8	prediction	prediction	NOUN
admet-2278	443	9	of	of	ADP
admet-2278	443	10	physical	physical	ADJ
admet-2278	443	11	properties	property	NOUN
admet-2278	443	12	of	of	ADP
admet-2278	443	13	alkanes	alkane	NOUN
admet-2278	443	14	.	.	PUNCT
admet-2278	444	1	the	the	DET
admet-2278	444	2	journal	journal	NOUN
admet-2278	444	3	for	for	ADP
admet-2278	444	4	chemical	chemical	ADJ
admet-2278	444	5	information	information	NOUN
admet-2278	444	6	and	and	CCONJ
admet-2278	444	7	computer	computer	NOUN
admet-2278	444	8	scientists	scientist	NOUN
admet-2278	444	9	36	36	NUM
admet-2278	444	10	(	(	PUNCT
admet-2278	444	11	1996	1996	NUM
admet-2278	444	12	)	)	PUNCT
admet-2278	444	13	844	844	NUM
admet-2278	444	14	-	-	SYM
admet-2278	444	15	849	849	NUM
admet-2278	444	16	.	.	PUNCT
admet-2278	445	1	https://doi.org/10.1021/ci950187r	https://doi.org/10.1021/ci950187r	PROPN
admet-2278	446	1	[	[	X
admet-2278	446	2	41	41	NUM
admet-2278	446	3	]	]	X
admet-2278	446	4	s.	s.	PROPN
admet-2278	446	5	marković	marković	PROPN
admet-2278	446	6	,	,	PUNCT
admet-2278	446	7	i.	i.	PROPN
admet-2278	446	8	gutman	gutman	PROPN
admet-2278	446	9	.	.	PUNCT
admet-2278	447	1	spectral	spectral	ADJ
admet-2278	447	2	moments	moment	NOUN
admet-2278	447	3	of	of	ADP
admet-2278	447	4	the	the	DET
admet-2278	447	5	edge	edge	NOUN
admet-2278	447	6	adjacency	adjacency	NOUN
admet-2278	447	7	matrix	matrix	NOUN
admet-2278	447	8	in	in	ADP
admet-2278	447	9	molecular	molecular	ADJ
admet-2278	447	10	graphs	graph	NOUN
admet-2278	447	11	.	.	PUNCT
admet-2278	448	1	benzenoid	benzenoid	NOUN
admet-2278	448	2	hydrocarbons	hydrocarbon	NOUN
admet-2278	448	3	.	.	PUNCT
admet-2278	449	1	the	the	DET
admet-2278	449	2	journal	journal	NOUN
admet-2278	449	3	for	for	ADP
admet-2278	449	4	chemical	chemical	ADJ
admet-2278	449	5	information	information	NOUN
admet-2278	449	6	and	and	CCONJ
admet-2278	449	7	computer	computer	NOUN
admet-2278	449	8	scientists	scientist	NOUN
admet-2278	449	9	39	39	NUM
admet-2278	449	10	(	(	PUNCT
admet-2278	449	11	1999	1999	NUM
admet-2278	449	12	)	)	PUNCT
admet-2278	449	13	289	289	NUM
admet-2278	449	14	-	-	SYM
admet-2278	449	15	293	293	NUM
admet-2278	449	16	.	.	PUNCT
admet-2278	450	1	https://doi.org/10.1021/ci980032u	https://doi.org/10.1021/ci980032u	PROPN
admet-2278	451	1	[	[	X
admet-2278	451	2	42	42	NUM
admet-2278	451	3	]	]	PUNCT
admet-2278	451	4	k.	k.	PROPN
admet-2278	451	5	bodzioch	bodzioch	PROPN
admet-2278	451	6	,	,	PUNCT
admet-2278	451	7	a.	a.	NOUN
admet-2278	451	8	durand	durand	PROPN
admet-2278	451	9	,	,	PUNCT
admet-2278	451	10	r.	r.	PROPN
admet-2278	451	11	kaliszan	kaliszan	PROPN
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admet-2278	451	13	t.	t.	NOUN
admet-2278	451	14	baczek	baczek	NOUN
admet-2278	451	15	,	,	PUNCT
admet-2278	451	16	y.	y.	PROPN
admet-2278	451	17	vander	vander	PROPN
admet-2278	451	18	heyden	heyden	PROPN
admet-2278	451	19	.	.	PUNCT
admet-2278	452	1	advanced	advanced	ADJ
admet-2278	452	2	qsrr	qsrr	NOUN
admet-2278	452	3	modelling	modelling	NOUN
admet-2278	452	4	of	of	ADP
admet-2278	452	5	peptides	peptide	NOUN
admet-2278	452	6	behaviour	behaviour	NOUN
admet-2278	452	7	in	in	ADP
admet-2278	452	8	rplc	rplc	NOUN
admet-2278	452	9	.	.	PUNCT
admet-2278	453	1	talanta	talanta	PROPN
admet-2278	453	2	81	81	NUM
admet-2278	453	3	(	(	PUNCT
admet-2278	453	4	2010	2010	NUM
admet-2278	453	5	)	)	PUNCT
admet-2278	453	6	1711–1718	1711–1718	NUM
admet-2278	453	7	.	.	PUNCT
admet-2278	454	1	https://doi.org/10.1016/j.talanta.2010.03.028	https://doi.org/10.1016/j.talanta.2010.03.028	PROPN
admet-2278	454	2	https://doi.org/10.1002/minf.201000061	https://doi.org/10.1002/minf.201000061	PROPN
admet-2278	454	3	https://doi.org/10.1016/j.chemolab.2011.03.011	https://doi.org/10.1016/j.chemolab.2011.03.011	PROPN
admet-2278	454	4	https://doi.org/10.1063/1.464913	https://doi.org/10.1063/1.464913	PROPN
admet-2278	454	5	https://doi.org/10.1103/physrevb.37.785	https://doi.org/10.1103/physrevb.37.785	ADJ
admet-2278	454	6	https://gaussian.com/	https://gaussian.com/	NOUN
admet-2278	454	7	http://www.chemaxon.com/products.html	http://www.chemaxon.com/products.html	PRON
admet-2278	454	8	http://www.talete.mi.it/	http://www.talete.mi.it/	ADJ
admet-2278	454	9	http://www.cambridgesoft.com/	http://www.cambridgesoft.com/	NOUN
admet-2278	455	1	https://doi.org/10.1021/ja00364a005	https://doi.org/10.1021/ja00364a005	PROPN
admet-2278	455	2	https://doi.org/10.1002/minf.201800154	https://doi.org/10.1002/minf.201800154	NOUN
admet-2278	455	3	http://www.umetrics.com/	http://www.umetrics.com/	NOUN
admet-2278	455	4	https://doi.org/10.1016/j.chemolab.2011.08.007	https://doi.org/10.1016/j.chemolab.2011.08.007	PROPN
admet-2278	455	5	https://doi.org/10.1080/1082607070166562679	https://doi.org/10.1080/1082607070166562679	NOUN
admet-2278	455	6	https://doi.org/10.1021/ci00063a011	https://doi.org/10.1021/ci00063a011	PROPN
admet-2278	455	7	https://doi.org/10.1021/ci950187r	https://doi.org/10.1021/ci950187r	ADP
admet-2278	455	8	https://doi.org/10.1021/ci980032u	https://doi.org/10.1021/ci980032u	VERB
admet-2278	455	9	https://doi.org/10.1016/j.talanta.2010.03.028	https://doi.org/10.1016/j.talanta.2010.03.028	PROPN
admet-2278	455	10	admet	admet	NOUN
admet-2278	455	11	&	&	CCONJ
admet-2278	455	12	dmpk	dmpk	PROPN
admet-2278	455	13	12(5	12(5	NUM
admet-2278	455	14	)	)	PUNCT
admet-2278	455	15	(	(	PUNCT
admet-2278	455	16	2024	2024	NUM
admet-2278	455	17	)	)	PUNCT
admet-2278	455	18	737	737	NUM
admet-2278	455	19	-	-	SYM
admet-2278	455	20	757	757	NUM
admet-2278	455	21	imidazoline	imidazoline	NOUN
admet-2278	455	22	and	and	CCONJ
admet-2278	455	23	alpha	alpha	NOUN
admet-2278	455	24	adrenergic	adrenergic	NOUN
admet-2278	455	25	receptors	receptor	NOUN
admet-2278	455	26	ligands	ligand	NOUN
admet-2278	455	27	doi	doi	NOUN
admet-2278	455	28	:	:	PUNCT
admet-2278	455	29	https://doi.org/10.5599/admet.2278	https://doi.org/10.5599/admet.2278	PROPN
admet-2278	455	30	757	757	NUM
admet-2278	455	31	[	[	SYM
admet-2278	455	32	43	43	NUM
admet-2278	455	33	]	]	PUNCT
admet-2278	455	34	m.	m.	NOUN
admet-2278	455	35	randić	randić	PROPN
admet-2278	455	36	.	.	PUNCT
admet-2278	456	1	wiener	wiener	NOUN
admet-2278	456	2	-	-	PUNCT
admet-2278	456	3	hosoya	hosoya	NOUN
admet-2278	456	4	index	index	NOUN
admet-2278	456	5	a	a	DET
admet-2278	456	6	novel	novel	NOUN
admet-2278	456	7	graph	graph	NOUN
admet-2278	456	8	theoretical	theoretical	ADJ
admet-2278	456	9	molecular	molecular	ADJ
admet-2278	456	10	descriptor	descriptor	NOUN
admet-2278	456	11	.	.	PUNCT
admet-2278	457	1	the	the	DET
admet-2278	457	2	journal	journal	NOUN
admet-2278	457	3	for	for	ADP
admet-2278	457	4	chemical	chemical	ADJ
admet-2278	457	5	information	information	NOUN
admet-2278	457	6	and	and	CCONJ
admet-2278	457	7	computer	computer	NOUN
admet-2278	457	8	scientists	scientist	NOUN
admet-2278	457	9	44	44	NUM
admet-2278	457	10	(	(	PUNCT
admet-2278	457	11	2004	2004	NUM
admet-2278	457	12	)	)	PUNCT
admet-2278	457	13	373	373	NUM
admet-2278	457	14	-	-	SYM
admet-2278	457	15	377	377	NUM
admet-2278	457	16	.	.	PUNCT
admet-2278	458	1	https://doi.org/10.1021/ci030425f	https://doi.org/10.1021/ci030425f	PRON
admet-2278	458	2	[	[	X
admet-2278	458	3	44	44	NUM
admet-2278	458	4	]	]	PUNCT
admet-2278	458	5	m.	m.	NOUN
admet-2278	458	6	randić	randić	PROPN
admet-2278	458	7	.	.	PUNCT
admet-2278	459	1	on	on	ADP
admet-2278	459	2	characterization	characterization	NOUN
admet-2278	459	3	of	of	ADP
admet-2278	459	4	cyclic	cyclic	ADJ
admet-2278	459	5	structures	structure	NOUN
admet-2278	459	6	.	.	PUNCT
admet-2278	460	1	the	the	DET
admet-2278	460	2	journal	journal	NOUN
admet-2278	460	3	for	for	ADP
admet-2278	460	4	chemical	chemical	ADJ
admet-2278	460	5	information	information	NOUN
admet-2278	460	6	and	and	CCONJ
admet-2278	460	7	computer	computer	NOUN
admet-2278	460	8	scientists	scientist	NOUN
admet-2278	460	9	37	37	NUM
admet-2278	460	10	(	(	PUNCT
admet-2278	460	11	1997	1997	NUM
admet-2278	460	12	)	)	PUNCT
admet-2278	460	13	1063	1063	NUM
admet-2278	460	14	-	-	SYM
admet-2278	460	15	1071	1071	NUM
admet-2278	460	16	.	.	PUNCT
admet-2278	461	1	https://doi.org/10.1021/ci9702407	https://doi.org/10.1021/ci9702407	PUNCT
admet-2278	462	1	[	[	X
admet-2278	462	2	45	45	NUM
admet-2278	462	3	]	]	PUNCT
admet-2278	462	4	r.	r.	PROPN
admet-2278	462	5	todeschini	todeschini	PROPN
admet-2278	462	6	,	,	PUNCT
admet-2278	462	7	v.	v.	PROPN
admet-2278	462	8	consonni	consonni	PROPN
admet-2278	462	9	.	.	PUNCT
admet-2278	463	1	handbook	handbook	NOUN
admet-2278	463	2	of	of	ADP
admet-2278	463	3	molecular	molecular	ADJ
admet-2278	463	4	descriptors	descriptor	NOUN
admet-2278	463	5	,	,	PUNCT
admet-2278	463	6	wiley	wiley	PROPN
admet-2278	463	7	-	-	PUNCT
admet-2278	463	8	vch	vch	PROPN
admet-2278	463	9	,	,	PUNCT
admet-2278	463	10	weinheim	weinheim	PROPN
admet-2278	463	11	,	,	PUNCT
admet-2278	463	12	2000	2000	NUM
admet-2278	463	13	.	.	PUNCT
admet-2278	464	1	[	[	X
admet-2278	464	2	46	46	NUM
admet-2278	464	3	]	]	PUNCT
admet-2278	464	4	b.	b.	PROPN
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admet-2278	464	6	,	,	PUNCT
admet-2278	464	7	a.	a.	NOUN
admet-2278	464	8	miličević	miličević	PROPN
admet-2278	464	9	,	,	PUNCT
admet-2278	464	10	s.	s.	PROPN
admet-2278	464	11	nikolić	nikolić	PROPN
admet-2278	464	12	,	,	PUNCT
admet-2278	464	13	n.	n.	PROPN
admet-2278	464	14	trinajstić	trinajstić	PROPN
admet-2278	464	15	.	.	PUNCT
admet-2278	465	1	harary	harary	PROPN
admet-2278	465	2	index	index	NOUN
admet-2278	465	3	–	–	PUNCT
admet-2278	465	4	twelve	twelve	NUM
admet-2278	465	5	years	year	NOUN
admet-2278	465	6	later	later	ADV
admet-2278	465	7	.	.	PUNCT
admet-2278	466	1	croatica	croatica	PROPN
admet-2278	466	2	chemica	chemica	PROPN
admet-2278	466	3	acta	acta	PROPN
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admet-2278	466	5	(	(	PUNCT
admet-2278	466	6	2002	2002	NUM
admet-2278	466	7	)	)	PUNCT
admet-2278	466	8	847	847	NUM
admet-2278	466	9	-	-	SYM
admet-2278	466	10	868	868	NUM
admet-2278	466	11	.	.	PUNCT
admet-2278	467	1	https://hrcak.srce.hr/131738	https://hrcak.srce.hr/131738	X
admet-2278	468	1	[	[	X
admet-2278	468	2	47	47	NUM
admet-2278	468	3	]	]	X
admet-2278	468	4	v.	v.	PROPN
admet-2278	468	5	consonni	consonni	PROPN
admet-2278	468	6	,	,	PUNCT
admet-2278	468	7	t.	t.	PROPN
admet-2278	468	8	todeschini	todeschini	PROPN
admet-2278	468	9	,	,	PUNCT
admet-2278	468	10	m.	m.	NOUN
admet-2278	468	11	pavan	pavan	PROPN
admet-2278	468	12	.	.	PUNCT
admet-2278	468	13	structure	structure	NOUN
admet-2278	468	14	/	/	SYM
admet-2278	468	15	response	response	NOUN
admet-2278	468	16	correlations	correlation	NOUN
admet-2278	468	17	and	and	CCONJ
admet-2278	468	18	similarity	similarity	NOUN
admet-2278	468	19	/	/	SYM
admet-2278	468	20	diversity	diversity	NOUN
admet-2278	468	21	analysis	analysis	NOUN
admet-2278	468	22	by	by	ADP
admet-2278	468	23	getaway	getaway	NOUN
admet-2278	468	24	descriptors	descriptor	NOUN
admet-2278	468	25	.	.	PUNCT
admet-2278	469	1	1	1	X
admet-2278	469	2	.	.	X
admet-2278	469	3	theory	theory	NOUN
admet-2278	469	4	of	of	ADP
admet-2278	469	5	the	the	DET
admet-2278	469	6	novel	novel	ADJ
admet-2278	469	7	3d	3d	NUM
admet-2278	469	8	molecular	molecular	ADJ
admet-2278	469	9	descriptors	descriptor	NOUN
admet-2278	469	10	.	.	PUNCT
admet-2278	470	1	the	the	DET
admet-2278	470	2	journal	journal	NOUN
admet-2278	470	3	for	for	ADP
admet-2278	470	4	chemical	chemical	ADJ
admet-2278	470	5	information	information	NOUN
admet-2278	470	6	and	and	CCONJ
admet-2278	470	7	computer	computer	NOUN
admet-2278	470	8	scientists	scientist	NOUN
admet-2278	470	9	42	42	NUM
admet-2278	470	10	(	(	PUNCT
admet-2278	470	11	2002	2002	NUM
admet-2278	470	12	)	)	PUNCT
admet-2278	470	13	682	682	NUM
admet-2278	470	14	-	-	SYM
admet-2278	470	15	692	692	NUM
admet-2278	470	16	.	.	PUNCT
admet-2278	471	1	https://doi.org/10.1021/ci015504a	https://doi.org/10.1021/ci015504a	NOUN
admet-2278	472	1	©	©	ADP
admet-2278	472	2	2024	2024	NUM
admet-2278	472	3	by	by	ADP
admet-2278	472	4	the	the	DET
admet-2278	472	5	authors	author	NOUN
admet-2278	472	6	;	;	PUNCT
admet-2278	472	7	licensee	licensee	PROPN
admet-2278	472	8	iapc	iapc	PROPN
admet-2278	472	9	,	,	PUNCT
admet-2278	472	10	zagreb	zagreb	PROPN
admet-2278	472	11	,	,	PUNCT
admet-2278	472	12	croatia	croatia	PROPN
admet-2278	472	13	.	.	PUNCT
admet-2278	473	1	this	this	DET
admet-2278	473	2	article	article	NOUN
admet-2278	473	3	is	be	AUX
admet-2278	473	4	an	an	DET
admet-2278	473	5	open	open	ADJ
admet-2278	473	6	-	-	PUNCT
admet-2278	473	7	access	access	NOUN
admet-2278	473	8	article	article	NOUN
admet-2278	473	9	distributed	distribute	VERB
admet-2278	473	10	under	under	ADP
admet-2278	473	11	the	the	DET
admet-2278	473	12	terms	term	NOUN
admet-2278	473	13	and	and	CCONJ
admet-2278	473	14	conditions	condition	NOUN
admet-2278	473	15	of	of	ADP
admet-2278	473	16	the	the	DET
admet-2278	473	17	creative	creative	ADJ
admet-2278	473	18	commons	common	NOUN
admet-2278	473	19	attribution	attribution	NOUN
admet-2278	473	20	license	license	NOUN
admet-2278	473	21	(	(	PUNCT
admet-2278	473	22	http://creativecommons.org/licenses/by/3.0/	http://creativecommons.org/licenses/by/3.0/	PROPN
admet-2278	473	23	)	)	PUNCT
admet-2278	473	24	https://doi.org/10.5599/admet.2278	https://doi.org/10.5599/admet.2278	PROPN
admet-2278	473	25	https://doi.org/10.1021/ci030425f	https://doi.org/10.1021/ci030425f	ADJ
admet-2278	473	26	https://doi.org/10.1021/ci9702407	https://doi.org/10.1021/ci9702407	NOUN
admet-2278	473	27	https://hrcak.srce.hr/131738	https://hrcak.srce.hr/131738	NOUN
admet-2278	473	28	https://doi.org/10.1021/ci015504a	https://doi.org/10.1021/ci015504a	NOUN
admet-2278	473	29	http://creativecommons.org/licenses/by/3.0/	http://creativecommons.org/licenses/by/3.0/	PROPN