id	sid	tid	token	lemma	pos
admet-532	1	1	block	block	NOUN
admet-532	1	2	relevance	relevance	NOUN
admet-532	1	3	(	(	PUNCT
admet-532	1	4	br	br	NOUN
admet-532	1	5	)	)	PUNCT
admet-532	1	6	analysis	analysis	NOUN
admet-532	1	7	and	and	CCONJ
admet-532	1	8	polarity	polarity	NOUN
admet-532	1	9	descriptors	descriptor	NOUN
admet-532	1	10	in	in	ADP
admet-532	1	11	property	property	NOUN
admet-532	1	12	-	-	PUNCT
admet-532	1	13	based	base	VERB
admet-532	1	14	drug	drug	NOUN
admet-532	1	15	design	design	NOUN
admet-532	1	16	doi	doi	NOUN
admet-532	1	17	:	:	PUNCT
admet-532	1	18	10.5599	10.5599	NUM
admet-532	1	19	/	/	SYM
admet-532	1	20	admet.532	admet.532	PROPN
admet-532	1	21	215	215	NUM
admet-532	1	22	admet	admet	X
admet-532	1	23	&	&	CCONJ
admet-532	1	24	dmpk	dmpk	PROPN
admet-532	1	25	6(3	6(3	PROPN
admet-532	1	26	)	)	PUNCT
admet-532	1	27	(	(	PUNCT
admet-532	1	28	2018	2018	NUM
admet-532	1	29	)	)	PUNCT
admet-532	1	30	215	215	NUM
admet-532	1	31	-	-	SYM
admet-532	1	32	224	224	NUM
admet-532	1	33	;	;	PUNCT
admet-532	1	34	doi	doi	NOUN
admet-532	1	35	:	:	PUNCT
admet-532	1	36	http://dx.doi.org/10.5599/admet.532	http://dx.doi.org/10.5599/admet.532	NOUN
admet-532	1	37	open	open	ADJ
admet-532	1	38	access	access	NOUN
admet-532	1	39	:	:	PUNCT
admet-532	1	40	issn	issn	PROPN
admet-532	1	41	:	:	PUNCT
admet-532	1	42	1848	1848	NUM
admet-532	1	43	-	-	SYM
admet-532	1	44	7718	7718	NUM
admet-532	1	45	http://www.pub.iapchem.org/ojs/index.php/admet/index	http://www.pub.iapchem.org/ojs/index.php/admet/index	NOUN
admet-532	1	46	review	review	NOUN
admet-532	1	47	block	block	NOUN
admet-532	1	48	relevance	relevance	NOUN
admet-532	1	49	(	(	PUNCT
admet-532	1	50	br	br	NOUN
admet-532	1	51	)	)	PUNCT
admet-532	1	52	analysis	analysis	NOUN
admet-532	1	53	and	and	CCONJ
admet-532	1	54	polarity	polarity	NOUN
admet-532	1	55	descriptors	descriptor	NOUN
admet-532	1	56	in	in	ADP
admet-532	1	57	property	property	NOUN
admet-532	1	58	-	-	PUNCT
admet-532	1	59	based	base	VERB
admet-532	1	60	drug	drug	NOUN
admet-532	1	61	design	design	NOUN
admet-532	1	62	giuseppe	giuseppe	PROPN
admet-532	1	63	ermondi	ermondi	PROPN
admet-532	1	64	and	and	CCONJ
admet-532	1	65	giulia	giulia	PROPN
admet-532	1	66	caron	caron	PROPN
admet-532	1	67	*	*	PROPN
admet-532	1	68	molecular	molecular	ADJ
admet-532	1	69	biotechnology	biotechnology	NOUN
admet-532	1	70	and	and	CCONJ
admet-532	1	71	health	health	NOUN
admet-532	1	72	sciences	sciences	PROPN
admet-532	1	73	dept	dept	PROPN
admet-532	1	74	.	.	PROPN
admet-532	1	75	,	,	PUNCT
admet-532	1	76	università	università	PROPN
admet-532	1	77	degli	degli	PROPN
admet-532	1	78	studi	studi	PROPN
admet-532	1	79	di	di	PROPN
admet-532	1	80	torino	torino	PROPN
admet-532	1	81	,	,	PUNCT
admet-532	1	82	via	via	ADP
admet-532	1	83	quarello	quarello	PROPN
admet-532	1	84	15	15	NUM
admet-532	1	85	,	,	PUNCT
admet-532	1	86	10135	10135	NUM
admet-532	1	87	torino	torino	NOUN
admet-532	1	88	,	,	PUNCT
admet-532	1	89	italy	italy	PROPN
admet-532	1	90	*	*	PUNCT
admet-532	1	91	corresponding	correspond	VERB
admet-532	1	92	author	author	NOUN
admet-532	1	93	:	:	PUNCT
admet-532	1	94	e	e	NOUN
admet-532	1	95	-	-	NOUN
admet-532	1	96	mail	mail	NOUN
admet-532	1	97	:	:	PUNCT
admet-532	1	98	giulia.caron@unito.it	giulia.caron@unito.it	NOUN
admet-532	1	99	;	;	PUNCT
admet-532	1	100	tel	tel	PROPN
admet-532	1	101	.	.	PROPN
admet-532	1	102	:	:	PUNCT
admet-532	2	1	+39	+39	PROPN
admet-532	2	2	-	-	PUNCT
admet-532	2	3	011	011	NUM
admet-532	2	4	-	-	PUNCT
admet-532	2	5	6708337	6708337	NUM
admet-532	2	6	;	;	PUNCT
admet-532	2	7	received	receive	VERB
admet-532	2	8	:	:	PUNCT
admet-532	2	9	april	april	PROPN
admet-532	2	10	06	06	NUM
admet-532	2	11	,	,	PUNCT
admet-532	2	12	2018	2018	NUM
admet-532	2	13	;	;	PUNCT
admet-532	2	14	revised	revise	VERB
admet-532	2	15	:	:	PUNCT
admet-532	2	16	may	may	AUX
admet-532	2	17	23	23	NUM
admet-532	2	18	,	,	PUNCT
admet-532	2	19	2018	2018	NUM
admet-532	2	20	;	;	PUNCT
admet-532	2	21	published	publish	VERB
admet-532	2	22	:	:	PUNCT
admet-532	2	23	may	may	AUX
admet-532	2	24	29	29	NUM
admet-532	2	25	,	,	PUNCT
admet-532	2	26	2018	2018	NUM
admet-532	2	27	abstract	abstract	ADJ
admet-532	2	28	block	block	NOUN
admet-532	2	29	relevance	relevance	NOUN
admet-532	2	30	(	(	PUNCT
admet-532	2	31	br	br	NOUN
admet-532	2	32	)	)	PUNCT
admet-532	2	33	analysis	analysis	NOUN
admet-532	2	34	is	be	AUX
admet-532	2	35	a	a	DET
admet-532	2	36	tool	tool	NOUN
admet-532	2	37	to	to	PART
admet-532	2	38	interpret	interpret	VERB
admet-532	2	39	qspr	qspr	PROPN
admet-532	2	40	/	/	SYM
admet-532	2	41	pls	pls	PROPN
admet-532	2	42	models	model	NOUN
admet-532	2	43	which	which	PRON
admet-532	2	44	can	can	AUX
admet-532	2	45	provide	provide	VERB
admet-532	2	46	the	the	DET
admet-532	2	47	information	information	NOUN
admet-532	2	48	content	content	NOUN
admet-532	2	49	of	of	ADP
admet-532	2	50	any	any	DET
admet-532	2	51	physicochemical	physicochemical	ADJ
admet-532	2	52	determinant	determinant	NOUN
admet-532	2	53	used	use	VERB
admet-532	2	54	in	in	ADP
admet-532	2	55	property	property	NOUN
admet-532	2	56	-	-	PUNCT
admet-532	2	57	based	base	VERB
admet-532	2	58	drug	drug	NOUN
admet-532	2	59	discovery	discovery	NOUN
admet-532	2	60	;	;	PUNCT
admet-532	2	61	its	its	PRON
admet-532	2	62	application	application	NOUN
admet-532	2	63	for	for	ADP
admet-532	2	64	the	the	DET
admet-532	2	65	characterization	characterization	NOUN
admet-532	2	66	of	of	ADP
admet-532	2	67	experimental	experimental	ADJ
admet-532	2	68	polarity	polarity	NOUN
admet-532	2	69	descriptors	descriptor	NOUN
admet-532	2	70	is	be	AUX
admet-532	2	71	discussed	discuss	VERB
admet-532	2	72	.	.	PUNCT
admet-532	3	1	keywords	keyword	NOUN
admet-532	3	2	adme	adme	NOUN
admet-532	3	3	;	;	PUNCT
admet-532	3	4	hydrogen	hydrogen	NOUN
admet-532	3	5	bonding	bonding	NOUN
admet-532	3	6	;	;	PUNCT
admet-532	3	7	iam	iam	PROPN
admet-532	3	8	;	;	PUNCT
admet-532	3	9	qspr	qspr	NOUN
admet-532	3	10	;	;	PUNCT
admet-532	3	11	pls	pls	INTJ
admet-532	3	12	;	;	PUNCT
admet-532	3	13	psa	psa	VERB
admet-532	3	14	;	;	PUNCT
admet-532	3	15	vip	vip	NOUN
admet-532	3	16	property	property	NOUN
admet-532	3	17	-	-	PUNCT
admet-532	3	18	based	base	VERB
admet-532	3	19	drug	drug	NOUN
admet-532	3	20	design	design	NOUN
admet-532	3	21	:	:	PUNCT
admet-532	3	22	the	the	DET
admet-532	3	23	need	need	NOUN
admet-532	3	24	for	for	ADP
admet-532	3	25	the	the	DET
admet-532	3	26	information	information	NOUN
admet-532	3	27	content	content	NOUN
admet-532	3	28	of	of	ADP
admet-532	3	29	physicochemical	physicochemical	ADJ
admet-532	3	30	descriptors	descriptor	NOUN
admet-532	3	31	the	the	DET
admet-532	3	32	pool	pool	NOUN
admet-532	3	33	of	of	ADP
admet-532	3	34	physicochemical	physicochemical	ADJ
admet-532	3	35	properties	property	NOUN
admet-532	3	36	including	include	VERB
admet-532	3	37	size	size	NOUN
admet-532	3	38	,	,	PUNCT
admet-532	3	39	lipophilicity	lipophilicity	NOUN
admet-532	3	40	,	,	PUNCT
admet-532	3	41	solubility	solubility	NOUN
admet-532	3	42	,	,	PUNCT
admet-532	3	43	permeability	permeability	NOUN
admet-532	3	44	,	,	PUNCT
admet-532	3	45	polarity	polarity	NOUN
admet-532	3	46	,	,	PUNCT
admet-532	3	47	and	and	CCONJ
admet-532	3	48	hydrogen	hydrogen	NOUN
admet-532	3	49	bond	bond	NOUN
admet-532	3	50	(	(	PUNCT
admet-532	3	51	hb	hb	NOUN
admet-532	3	52	)	)	PUNCT
admet-532	3	53	capacity	capacity	NOUN
admet-532	3	54	defines	define	VERB
admet-532	3	55	the	the	DET
admet-532	3	56	drug	drug	NOUN
admet-532	3	57	-	-	PUNCT
admet-532	3	58	like	like	ADJ
admet-532	3	59	profile	profile	NOUN
admet-532	3	60	of	of	ADP
admet-532	3	61	potential	potential	ADJ
admet-532	3	62	candidates	candidate	NOUN
admet-532	3	63	.	.	PUNCT
admet-532	4	1	thus	thus	ADV
admet-532	4	2	,	,	PUNCT
admet-532	4	3	during	during	ADP
admet-532	4	4	the	the	DET
admet-532	4	5	lead	lead	ADJ
admet-532	4	6	optimization	optimization	NOUN
admet-532	4	7	process	process	NOUN
admet-532	4	8	,	,	PUNCT
admet-532	4	9	medicinal	medicinal	ADJ
admet-532	4	10	chemists	chemist	NOUN
admet-532	4	11	control	control	VERB
admet-532	4	12	the	the	DET
admet-532	4	13	absorption	absorption	NOUN
admet-532	4	14	,	,	PUNCT
admet-532	4	15	distribution	distribution	NOUN
admet-532	4	16	,	,	PUNCT
admet-532	4	17	metabolism	metabolism	NOUN
admet-532	4	18	and	and	CCONJ
admet-532	4	19	excretion	excretion	NOUN
admet-532	4	20	(	(	PUNCT
admet-532	4	21	adme	adme	NOUN
admet-532	4	22	)	)	PUNCT
admet-532	4	23	fate	fate	NOUN
admet-532	4	24	of	of	ADP
admet-532	4	25	a	a	DET
admet-532	4	26	candidate	candidate	NOUN
admet-532	4	27	by	by	ADP
admet-532	4	28	monitoring	monitor	VERB
admet-532	4	29	the	the	DET
admet-532	4	30	variation	variation	NOUN
admet-532	4	31	in	in	ADP
admet-532	4	32	the	the	DET
admet-532	4	33	physicochemical	physicochemical	ADJ
admet-532	4	34	profile	profile	NOUN
admet-532	4	35	following	follow	VERB
admet-532	4	36	chemical	chemical	ADJ
admet-532	4	37	modifications	modification	NOUN
admet-532	4	38	[	[	X
admet-532	4	39	1	1	NUM
admet-532	4	40	]	]	PUNCT
admet-532	4	41	.	.	PUNCT
admet-532	5	1	any	any	DET
admet-532	5	2	molecular	molecular	ADJ
admet-532	5	3	property	property	NOUN
admet-532	5	4	can	can	AUX
admet-532	5	5	be	be	AUX
admet-532	5	6	quantified	quantify	VERB
admet-532	5	7	by	by	ADP
admet-532	5	8	a	a	DET
admet-532	5	9	few	few	ADJ
admet-532	5	10	physicochemical	physicochemical	ADJ
admet-532	5	11	descriptors	descriptor	NOUN
admet-532	5	12	.	.	PUNCT
admet-532	6	1	for	for	ADP
admet-532	6	2	instance	instance	NOUN
admet-532	6	3	,	,	PUNCT
admet-532	6	4	lipophilicity	lipophilicity	NOUN
admet-532	6	5	can	can	AUX
admet-532	6	6	be	be	AUX
admet-532	6	7	described	describe	VERB
admet-532	6	8	by	by	ADP
admet-532	6	9	the	the	DET
admet-532	6	10	log	log	NOUN
admet-532	6	11	of	of	ADP
admet-532	6	12	the	the	DET
admet-532	6	13	distribution	distribution	NOUN
admet-532	6	14	coefficient	coefficient	NOUN
admet-532	6	15	in	in	ADP
admet-532	6	16	the	the	DET
admet-532	6	17	octanol	octanol	NOUN
admet-532	6	18	/	/	SYM
admet-532	6	19	water	water	NOUN
admet-532	6	20	system	system	NOUN
admet-532	6	21	(	(	PUNCT
admet-532	6	22	i.e.	i.e.	X
admet-532	6	23	log	log	PROPN
admet-532	6	24	doct	doct	PROPN
admet-532	6	25	)	)	PUNCT
admet-532	6	26	but	but	CCONJ
admet-532	6	27	also	also	ADV
admet-532	6	28	by	by	ADP
admet-532	6	29	the	the	DET
admet-532	6	30	log	log	NOUN
admet-532	6	31	of	of	ADP
admet-532	6	32	the	the	DET
admet-532	6	33	distribution	distribution	NOUN
admet-532	6	34	coefficient	coefficient	NOUN
admet-532	6	35	in	in	ADP
admet-532	6	36	the	the	DET
admet-532	6	37	toluene	toluene	ADJ
admet-532	6	38	/	/	SYM
admet-532	6	39	water	water	NOUN
admet-532	6	40	system	system	NOUN
admet-532	6	41	(	(	PUNCT
admet-532	6	42	i.e.	i.e.	X
admet-532	6	43	log	log	VERB
admet-532	6	44	dtol	dtol	NOUN
admet-532	6	45	)	)	PUNCT
admet-532	6	46	.	.	PUNCT
admet-532	7	1	log	log	VERB
admet-532	7	2	doct	doct	PROPN
admet-532	7	3	and	and	CCONJ
admet-532	7	4	log	log	VERB
admet-532	7	5	dtol	dtol	NOUN
admet-532	7	6	encode	encode	ADJ
admet-532	7	7	diverse	diverse	ADJ
admet-532	7	8	information	information	NOUN
admet-532	8	1	[	[	X
admet-532	8	2	2	2	NUM
admet-532	8	3	]	]	PUNCT
admet-532	8	4	and	and	CCONJ
admet-532	8	5	thus	thus	ADV
admet-532	8	6	are	be	AUX
admet-532	8	7	not	not	PART
admet-532	8	8	interchangeable	interchangeable	ADJ
admet-532	8	9	.	.	PUNCT
admet-532	9	1	therefore	therefore	ADV
admet-532	9	2	,	,	PUNCT
admet-532	9	3	it	it	PRON
admet-532	9	4	could	could	AUX
admet-532	9	5	be	be	AUX
admet-532	9	6	relevant	relevant	ADJ
admet-532	9	7	for	for	SCONJ
admet-532	9	8	a	a	DET
admet-532	9	9	medicinal	medicinal	ADJ
admet-532	9	10	chemist	chemist	NOUN
admet-532	9	11	to	to	PART
admet-532	9	12	know	know	VERB
admet-532	9	13	how	how	SCONJ
admet-532	9	14	a	a	DET
admet-532	9	15	structural	structural	ADJ
admet-532	9	16	change	change	NOUN
admet-532	9	17	impacts	impact	NOUN
admet-532	9	18	both	both	PRON
admet-532	9	19	log	log	VERB
admet-532	9	20	doct	doct	NOUN
admet-532	9	21	and	and	CCONJ
admet-532	9	22	log	log	VERB
admet-532	9	23	dtol	dtol	NOUN
admet-532	9	24	.	.	PUNCT
admet-532	10	1	more	more	ADV
admet-532	10	2	generally	generally	ADV
admet-532	10	3	,	,	PUNCT
admet-532	10	4	to	to	PART
admet-532	10	5	select	select	VERB
admet-532	10	6	the	the	DET
admet-532	10	7	most	most	ADV
admet-532	10	8	relevant	relevant	ADJ
admet-532	10	9	set	set	NOUN
admet-532	10	10	of	of	ADP
admet-532	10	11	descriptors	descriptor	NOUN
admet-532	10	12	for	for	ADP
admet-532	10	13	any	any	DET
admet-532	10	14	drug	drug	NOUN
admet-532	10	15	discovery	discovery	NOUN
admet-532	10	16	program	program	NOUN
admet-532	10	17	,	,	PUNCT
admet-532	10	18	it	it	PRON
admet-532	10	19	is	be	AUX
admet-532	10	20	crucial	crucial	ADJ
admet-532	10	21	to	to	PART
admet-532	10	22	know	know	VERB
admet-532	10	23	the	the	DET
admet-532	10	24	information	information	NOUN
admet-532	10	25	content	content	NOUN
admet-532	10	26	of	of	ADP
admet-532	10	27	any	any	DET
admet-532	10	28	descriptor	descriptor	NOUN
admet-532	10	29	.	.	PUNCT
admet-532	11	1	abraham	abraham	PROPN
admet-532	11	2	’s	’s	PART
admet-532	11	3	solvation	solvation	NOUN
admet-532	11	4	equations	equation	NOUN
admet-532	11	5	(	(	PUNCT
admet-532	11	6	their	their	PRON
admet-532	11	7	review	review	NOUN
admet-532	11	8	is	be	AUX
admet-532	11	9	beyond	beyond	ADP
admet-532	11	10	the	the	DET
admet-532	11	11	aim	aim	NOUN
admet-532	11	12	of	of	ADP
admet-532	11	13	this	this	DET
admet-532	11	14	paper	paper	NOUN
admet-532	11	15	)	)	PUNCT
admet-532	11	16	are	be	AUX
admet-532	11	17	the	the	DET
admet-532	11	18	most	most	ADV
admet-532	11	19	known	know	VERB
admet-532	11	20	quantitative	quantitative	ADJ
admet-532	11	21	structure	structure	NOUN
admet-532	11	22	-	-	PUNCT
admet-532	11	23	property	property	NOUN
admet-532	11	24	relationships	relationship	NOUN
admet-532	11	25	(	(	PUNCT
admet-532	11	26	qsprs	qsprs	NOUN
admet-532	11	27	)	)	PUNCT
admet-532	11	28	tools	tool	NOUN
admet-532	11	29	that	that	PRON
admet-532	11	30	provide	provide	VERB
admet-532	11	31	the	the	DET
admet-532	11	32	information	information	NOUN
admet-532	11	33	content	content	NOUN
admet-532	11	34	of	of	ADP
admet-532	11	35	any	any	DET
admet-532	11	36	molecular	molecular	ADJ
admet-532	11	37	property	property	NOUN
admet-532	11	38	[	[	X
admet-532	11	39	3,4	3,4	NUM
admet-532	11	40	]	]	PUNCT
admet-532	11	41	.	.	PUNCT
admet-532	12	1	briefly	briefly	ADV
admet-532	12	2	,	,	PUNCT
admet-532	12	3	by	by	ADP
admet-532	12	4	measuring	measure	VERB
admet-532	12	5	a	a	DET
admet-532	12	6	linear	linear	ADJ
admet-532	12	7	free	free	ADJ
admet-532	12	8	-	-	PUNCT
admet-532	12	9	energy	energy	NOUN
admet-532	12	10	related	relate	VERB
admet-532	12	11	solute	solute	NOUN
admet-532	12	12	property	property	NOUN
admet-532	12	13	for	for	ADP
admet-532	12	14	a	a	DET
admet-532	12	15	set	set	NOUN
admet-532	12	16	of	of	ADP
admet-532	12	17	at	at	ADV
admet-532	12	18	least	least	ADV
admet-532	12	19	25	25	NUM
admet-532	12	20	compounds	compound	NOUN
admet-532	12	21	with	with	ADP
admet-532	12	22	known	known	ADJ
admet-532	12	23	2d	2d	NUM
admet-532	12	24	molecular	molecular	ADJ
admet-532	12	25	descriptors	descriptor	NOUN
admet-532	12	26	(	(	PUNCT
admet-532	12	27	e	e	NOUN
admet-532	12	28	,	,	PUNCT
admet-532	12	29	s	s	PROPN
admet-532	12	30	,	,	PUNCT
admet-532	12	31	a	a	DET
admet-532	12	32	,	,	PUNCT
admet-532	12	33	b	b	NOUN
admet-532	12	34	and	and	CCONJ
admet-532	12	35	v	v	NOUN
admet-532	12	36	,	,	PUNCT
admet-532	12	37	optimised	optimise	VERB
admet-532	12	38	for	for	ADP
admet-532	12	39	small	small	ADJ
admet-532	12	40	monoor	monoor	ADJ
admet-532	12	41	bifunctional	bifunctional	ADJ
admet-532	12	42	organic	organic	ADJ
admet-532	12	43	molecules	molecule	NOUN
admet-532	12	44	in	in	ADP
admet-532	12	45	unionized	unionized	ADJ
admet-532	12	46	form	form	NOUN
admet-532	12	47	)	)	PUNCT
admet-532	12	48	the	the	DET
admet-532	12	49	solvation	solvation	NOUN
admet-532	12	50	equation	equation	NOUN
admet-532	12	51	can	can	AUX
admet-532	12	52	be	be	AUX
admet-532	12	53	built	build	VERB
admet-532	12	54	using	use	VERB
admet-532	12	55	a	a	DET
admet-532	12	56	multiple	multiple	ADJ
admet-532	12	57	linear	linear	ADJ
admet-532	12	58	regression	regression	NOUN
admet-532	12	59	(	(	PUNCT
admet-532	12	60	mlr	mlr	NOUN
admet-532	12	61	)	)	PUNCT
admet-532	12	62	.	.	PUNCT
admet-532	13	1	to	to	PART
admet-532	13	2	provide	provide	VERB
admet-532	13	3	an	an	DET
admet-532	13	4	alternative	alternative	ADJ
admet-532	13	5	tool	tool	NOUN
admet-532	13	6	to	to	ADP
admet-532	13	7	abraham	abraham	PROPN
admet-532	13	8	’s	’s	PART
admet-532	13	9	equations	equation	NOUN
admet-532	13	10	,	,	PUNCT
admet-532	13	11	we	we	PRON
admet-532	13	12	have	have	AUX
admet-532	13	13	designed	design	VERB
admet-532	13	14	and	and	CCONJ
admet-532	13	15	implemented	implement	VERB
admet-532	13	16	a	a	DET
admet-532	13	17	http://www.pub.iapchem.org/ojs/index.php/admet/index	http://www.pub.iapchem.org/ojs/index.php/admet/index	NOUN
admet-532	13	18	mailto:giulia.caron@unito.it	mailto:giulia.caron@unito.it	PROPN
admet-532	13	19	ermondi	ermondi	NOUN
admet-532	13	20	and	and	CCONJ
admet-532	13	21	caron	caron	PROPN
admet-532	13	22	admet	admet	PROPN
admet-532	13	23	&	&	CCONJ
admet-532	13	24	dmpk	dmpk	PROPN
admet-532	13	25	6(3	6(3	PROPN
admet-532	13	26	)	)	PUNCT
admet-532	13	27	(	(	PUNCT
admet-532	13	28	2018	2018	NUM
admet-532	13	29	)	)	PUNCT
admet-532	13	30	215	215	NUM
admet-532	13	31	-	-	SYM
admet-532	13	32	224	224	NUM
admet-532	13	33	216	216	NUM
admet-532	13	34	chemoinformatic	chemoinformatic	ADJ
admet-532	13	35	strategy	strategy	NOUN
admet-532	13	36	named	name	VERB
admet-532	13	37	block	block	NOUN
admet-532	13	38	relevance	relevance	NOUN
admet-532	13	39	(	(	PUNCT
admet-532	13	40	br	br	NOUN
admet-532	13	41	)	)	PUNCT
admet-532	13	42	analysis	analysis	NOUN
admet-532	13	43	[	[	X
admet-532	13	44	5	5	NUM
admet-532	13	45	]	]	PUNCT
admet-532	13	46	which	which	PRON
admet-532	13	47	affords	afford	VERB
admet-532	13	48	an	an	DET
admet-532	13	49	interpretation	interpretation	NOUN
admet-532	13	50	“	"	PUNCT
admet-532	13	51	at	at	ADP
admet-532	13	52	a	a	DET
admet-532	13	53	glance	glance	NOUN
admet-532	13	54	”	"	PUNCT
admet-532	13	55	of	of	ADP
admet-532	13	56	qsprs	qsprs	NOUN
admet-532	13	57	models	model	NOUN
admet-532	13	58	based	base	VERB
admet-532	13	59	on	on	ADP
admet-532	13	60	a	a	DET
admet-532	13	61	selected	select	VERB
admet-532	13	62	pool	pool	NOUN
admet-532	13	63	of	of	ADP
admet-532	13	64	descriptors	descriptor	NOUN
admet-532	13	65	and	and	CCONJ
admet-532	13	66	a	a	DET
admet-532	13	67	partial	partial	ADJ
admet-532	13	68	least	least	ADJ
admet-532	13	69	square	square	ADJ
admet-532	13	70	(	(	PUNCT
admet-532	13	71	pls	pls	INTJ
admet-532	13	72	)	)	PUNCT
admet-532	13	73	algorithm	algorithm	NOUN
admet-532	13	74	.	.	PUNCT
admet-532	14	1	to	to	PART
admet-532	14	2	fully	fully	ADV
admet-532	14	3	understand	understand	VERB
admet-532	14	4	br	br	NOUN
admet-532	14	5	analysis	analysis	NOUN
admet-532	14	6	and	and	CCONJ
admet-532	14	7	thus	thus	ADV
admet-532	14	8	its	its	PRON
admet-532	14	9	relevance	relevance	NOUN
admet-532	14	10	in	in	ADP
admet-532	14	11	property	property	NOUN
admet-532	14	12	-	-	PUNCT
admet-532	14	13	based	base	VERB
admet-532	14	14	drug	drug	NOUN
admet-532	14	15	design	design	NOUN
admet-532	14	16	,	,	PUNCT
admet-532	14	17	we	we	PRON
admet-532	14	18	have	have	AUX
admet-532	14	19	briefly	briefly	ADV
admet-532	14	20	reviewed	review	VERB
admet-532	14	21	[	[	PUNCT
admet-532	14	22	6,7	6,7	NUM
admet-532	14	23	]	]	PUNCT
admet-532	14	24	some	some	DET
admet-532	14	25	basic	basic	ADJ
admet-532	14	26	concepts	concept	NOUN
admet-532	14	27	of	of	ADP
admet-532	14	28	qspr	qspr	NOUN
admet-532	14	29	.	.	PUNCT
admet-532	15	1	qspr	qspr	NOUN
admet-532	15	2	for	for	ADP
admet-532	15	3	modelling	model	VERB
admet-532	15	4	physicochemical	physicochemical	ADJ
admet-532	15	5	properties	property	NOUN
admet-532	15	6	quantitative	quantitative	ADJ
admet-532	15	7	structure	structure	NOUN
admet-532	15	8	-	-	PUNCT
admet-532	15	9	property	property	NOUN
admet-532	15	10	relationships	relationship	NOUN
admet-532	15	11	can	can	AUX
admet-532	15	12	be	be	AUX
admet-532	15	13	formulated	formulate	VERB
admet-532	15	14	using	use	VERB
admet-532	15	15	the	the	DET
admet-532	15	16	eq	eq	NOUN
admet-532	15	17	.	.	PROPN
admet-532	15	18	1	1	NUM
admet-532	16	1	[	[	NOUN
admet-532	16	2	8	8	NUM
admet-532	16	3	]	]	PUNCT
admet-532	16	4	:	:	PUNCT
admet-532	16	5	𝑃𝑟𝑜𝑝𝑒𝑟𝑡𝑦	𝑃𝑟𝑜𝑝𝑒𝑟𝑡𝑦	PROPN
admet-532	16	6	=	=	PUNCT
admet-532	16	7	𝑓(𝐷𝑒𝑠𝑐𝑟𝑖𝑝𝑡𝑜𝑟𝑠	𝑓(𝐷𝑒𝑠𝑐𝑟𝑖𝑝𝑡𝑜𝑟𝑠	NUM
admet-532	16	8	)	)	PUNCT
admet-532	16	9	(	(	PUNCT
admet-532	16	10	1	1	X
admet-532	16	11	)	)	PUNCT
admet-532	16	12	where	where	SCONJ
admet-532	16	13	a	a	DET
admet-532	16	14	property	property	NOUN
admet-532	16	15	is	be	AUX
admet-532	16	16	in	in	ADP
admet-532	16	17	principle	principle	NOUN
admet-532	16	18	any	any	DET
admet-532	16	19	physicochemical	physicochemical	ADJ
admet-532	16	20	property	property	NOUN
admet-532	16	21	,	,	PUNCT
admet-532	16	22	the	the	DET
admet-532	16	23	descriptors	descriptor	NOUN
admet-532	16	24	are	be	AUX
admet-532	16	25	numerical	numerical	ADJ
admet-532	16	26	values	value	NOUN
admet-532	16	27	that	that	PRON
admet-532	16	28	are	be	AUX
admet-532	16	29	related	relate	VERB
admet-532	16	30	to	to	ADP
admet-532	16	31	the	the	DET
admet-532	16	32	structure	structure	NOUN
admet-532	16	33	of	of	ADP
admet-532	16	34	the	the	DET
admet-532	16	35	chemical	chemical	NOUN
admet-532	16	36	compounds	compound	NOUN
admet-532	16	37	and	and	CCONJ
admet-532	16	38	,	,	PUNCT
admet-532	16	39	f	f	PROPN
admet-532	16	40	is	be	AUX
admet-532	16	41	a	a	DET
admet-532	16	42	tailored	tailor	VERB
admet-532	16	43	function	function	NOUN
admet-532	16	44	able	able	ADJ
admet-532	16	45	to	to	PART
admet-532	16	46	quantitatively	quantitatively	ADV
admet-532	16	47	correlate	correlate	VERB
admet-532	16	48	the	the	DET
admet-532	16	49	property	property	NOUN
admet-532	16	50	and	and	CCONJ
admet-532	16	51	the	the	DET
admet-532	16	52	descriptors	descriptor	NOUN
admet-532	16	53	.	.	PUNCT
admet-532	17	1	in	in	ADP
admet-532	17	2	a	a	DET
admet-532	17	3	context	context	NOUN
admet-532	17	4	of	of	ADP
admet-532	17	5	properties	property	NOUN
admet-532	17	6	-	-	PUNCT
admet-532	17	7	based	base	VERB
admet-532	17	8	drug	drug	NOUN
admet-532	17	9	design	design	NOUN
admet-532	17	10	,	,	PUNCT
admet-532	17	11	the	the	DET
admet-532	17	12	endpoint	endpoint	NOUN
admet-532	17	13	is	be	AUX
admet-532	17	14	modelling	model	VERB
admet-532	17	15	the	the	DET
admet-532	17	16	pool	pool	NOUN
admet-532	17	17	of	of	ADP
admet-532	17	18	physicochemical	physicochemical	ADJ
admet-532	17	19	properties	property	NOUN
admet-532	17	20	which	which	PRON
admet-532	17	21	define	define	VERB
admet-532	17	22	drug	drug	NOUN
admet-532	17	23	-	-	PUNCT
admet-532	17	24	like	like	ADJ
admet-532	17	25	profile	profile	NOUN
admet-532	17	26	of	of	ADP
admet-532	17	27	the	the	DET
admet-532	17	28	candidate	candidate	NOUN
admet-532	17	29	compounds	compound	NOUN
admet-532	17	30	,	,	PUNCT
admet-532	17	31	e.g.	e.g.	ADV
admet-532	17	32	lipophilicity	lipophilicity	NOUN
admet-532	17	33	,	,	PUNCT
admet-532	17	34	solubility	solubility	NOUN
admet-532	17	35	,	,	PUNCT
admet-532	17	36	permeability	permeability	NOUN
admet-532	17	37	,	,	PUNCT
admet-532	17	38	polarity	polarity	NOUN
admet-532	17	39	and	and	CCONJ
admet-532	17	40	hydrogen	hydrogen	NOUN
admet-532	17	41	bond	bond	NOUN
admet-532	17	42	(	(	PUNCT
admet-532	17	43	hb	hb	NOUN
admet-532	17	44	)	)	PUNCT
admet-532	17	45	capacity	capacity	NOUN
admet-532	17	46	.	.	PUNCT
admet-532	18	1	in	in	ADP
admet-532	18	2	this	this	DET
admet-532	18	3	paper	paper	NOUN
admet-532	18	4	we	we	PRON
admet-532	18	5	will	will	AUX
admet-532	18	6	use	use	VERB
admet-532	18	7	property	property	NOUN
admet-532	18	8	to	to	PART
admet-532	18	9	indicate	indicate	VERB
admet-532	18	10	what	what	PRON
admet-532	18	11	we	we	PRON
admet-532	18	12	want	want	VERB
admet-532	18	13	to	to	PART
admet-532	18	14	model	model	VERB
admet-532	18	15	i.e.	i.e.	X
admet-532	18	16	experimental	experimental	ADJ
admet-532	18	17	descriptors	descriptor	NOUN
admet-532	18	18	like	like	INTJ
admet-532	18	19	log	log	NOUN
admet-532	18	20	poct	poct	NOUN
admet-532	18	21	which	which	PRON
admet-532	18	22	quantifies	quantify	VERB
admet-532	18	23	the	the	DET
admet-532	18	24	molecular	molecular	ADJ
admet-532	18	25	property	property	NOUN
admet-532	18	26	of	of	ADP
admet-532	18	27	lipophilicity	lipophilicity	NOUN
admet-532	18	28	.	.	PUNCT
admet-532	19	1	although	although	SCONJ
admet-532	19	2	a	a	DET
admet-532	19	3	plethora	plethora	NOUN
admet-532	19	4	of	of	ADP
admet-532	19	5	descriptors	descriptor	NOUN
admet-532	19	6	has	have	AUX
admet-532	19	7	been	be	AUX
admet-532	19	8	reported	report	VERB
admet-532	19	9	in	in	ADP
admet-532	19	10	the	the	DET
admet-532	19	11	literature	literature	NOUN
admet-532	19	12	[	[	X
admet-532	19	13	9	9	NUM
admet-532	19	14	]	]	PUNCT
admet-532	19	15	there	there	PRON
admet-532	19	16	is	be	VERB
admet-532	19	17	still	still	ADV
admet-532	19	18	no	no	DET
admet-532	19	19	agreement	agreement	NOUN
admet-532	19	20	on	on	ADP
admet-532	19	21	what	what	PRON
admet-532	19	22	constitutes	constitute	VERB
admet-532	19	23	the	the	DET
admet-532	19	24	“	"	PUNCT
admet-532	19	25	best	good	ADJ
admet-532	19	26	”	"	PUNCT
admet-532	19	27	pool	pool	NOUN
admet-532	19	28	for	for	ADP
admet-532	19	29	molecular	molecular	ADJ
admet-532	19	30	design	design	NOUN
admet-532	19	31	[	[	X
admet-532	19	32	10	10	NUM
admet-532	19	33	]	]	PUNCT
admet-532	19	34	since	since	SCONJ
admet-532	19	35	it	it	PRON
admet-532	19	36	depends	depend	VERB
admet-532	19	37	on	on	ADP
admet-532	19	38	the	the	DET
admet-532	19	39	property	property	NOUN
admet-532	19	40	that	that	PRON
admet-532	19	41	is	be	AUX
admet-532	19	42	under	under	ADP
admet-532	19	43	study	study	NOUN
admet-532	19	44	.	.	PUNCT
admet-532	20	1	the	the	DET
admet-532	20	2	subset	subset	NOUN
admet-532	20	3	of	of	ADP
admet-532	20	4	volsurf+	volsurf+	NOUN
admet-532	20	5	(	(	PUNCT
admet-532	20	6	vs+	vs+	ADJ
admet-532	20	7	)	)	PUNCT
admet-532	20	8	descriptors	descriptor	NOUN
admet-532	20	9	(	(	PUNCT
admet-532	20	10	v.	v.	ADP
admet-532	20	11	1.1.2	1.1.2	NUM
admet-532	20	12	,	,	PUNCT
admet-532	20	13	www.moldiscovery.com	www.moldiscovery.com	NUM
admet-532	20	14	)	)	PUNCT
admet-532	20	15	based	base	VERB
admet-532	20	16	on	on	ADP
admet-532	20	17	3d	3d	NUM
admet-532	20	18	molecular	molecular	ADJ
admet-532	20	19	fields	field	NOUN
admet-532	20	20	(	(	PUNCT
admet-532	20	21	mifs	mif	NOUN
admet-532	20	22	,	,	PUNCT
admet-532	20	23	see	see	VERB
admet-532	20	24	below	below	ADV
admet-532	20	25	)	)	PUNCT
admet-532	20	26	are	be	AUX
admet-532	20	27	a	a	DET
admet-532	20	28	reasonable	reasonable	ADJ
admet-532	20	29	choice	choice	NOUN
admet-532	20	30	for	for	ADP
admet-532	20	31	modelling	model	VERB
admet-532	20	32	physicochemical	physicochemical	ADJ
admet-532	20	33	properties	property	NOUN
admet-532	20	34	.	.	PUNCT
admet-532	21	1	shortly	shortly	ADV
admet-532	21	2	,	,	PUNCT
admet-532	21	3	a	a	DET
admet-532	21	4	3d	3d	NOUN
admet-532	21	5	mif	mif	PROPN
admet-532	21	6	is	be	AUX
admet-532	21	7	calculated	calculate	VERB
admet-532	21	8	using	use	VERB
admet-532	21	9	the	the	DET
admet-532	21	10	grid	grid	NOUN
admet-532	21	11	force	force	NOUN
admet-532	21	12	field	field	NOUN
admet-532	22	1	[	[	X
admet-532	22	2	11,12	11,12	NOUN
admet-532	22	3	]	]	PUNCT
admet-532	22	4	which	which	PRON
admet-532	22	5	may	may	AUX
admet-532	22	6	be	be	AUX
admet-532	22	7	viewed	view	VERB
admet-532	22	8	as	as	ADP
admet-532	22	9	a	a	DET
admet-532	22	10	3d	3d	NUM
admet-532	22	11	matrix	matrix	NOUN
admet-532	22	12	,	,	PUNCT
admet-532	22	13	with	with	ADP
admet-532	22	14	attractive	attractive	ADJ
admet-532	22	15	and	and	CCONJ
admet-532	22	16	repulsive	repulsive	ADJ
admet-532	22	17	energy	energy	NOUN
admet-532	22	18	values	value	NOUN
admet-532	22	19	between	between	ADP
admet-532	22	20	a	a	DET
admet-532	22	21	chemical	chemical	NOUN
admet-532	22	22	probe	probe	NOUN
admet-532	22	23	and	and	CCONJ
admet-532	22	24	a	a	DET
admet-532	22	25	target	target	NOUN
admet-532	22	26	molecule	molecule	NOUN
admet-532	22	27	(	(	PUNCT
admet-532	22	28	e.g.	e.g.	ADV
admet-532	22	29	a	a	DET
admet-532	22	30	drug	drug	NOUN
admet-532	22	31	candidate	candidate	NOUN
admet-532	22	32	)	)	PUNCT
admet-532	22	33	.	.	PUNCT
admet-532	23	1	by	by	ADP
admet-532	23	2	using	use	VERB
admet-532	23	3	four	four	NUM
admet-532	23	4	probes	probe	NOUN
admet-532	23	5	and	and	CCONJ
admet-532	23	6	various	various	ADJ
admet-532	23	7	cut	cut	NOUN
admet-532	23	8	-	-	PUNCT
admet-532	23	9	off	off	ADP
admet-532	23	10	values	value	NOUN
admet-532	23	11	of	of	ADP
admet-532	23	12	energy	energy	NOUN
admet-532	23	13	,	,	PUNCT
admet-532	23	14	the	the	DET
admet-532	23	15	capacity	capacity	NOUN
admet-532	23	16	of	of	ADP
admet-532	23	17	the	the	DET
admet-532	23	18	drug	drug	NOUN
admet-532	23	19	to	to	PART
admet-532	23	20	form	form	VERB
admet-532	23	21	intermolecular	intermolecular	ADJ
admet-532	23	22	interactions	interaction	NOUN
admet-532	23	23	can	can	AUX
admet-532	23	24	be	be	AUX
admet-532	23	25	quantified	quantify	VERB
admet-532	23	26	and	and	CCONJ
admet-532	23	27	converted	convert	VERB
admet-532	23	28	into	into	ADP
admet-532	23	29	molecular	molecular	ADJ
admet-532	23	30	descriptors	descriptor	NOUN
admet-532	23	31	.	.	PUNCT
admet-532	24	1	to	to	PART
admet-532	24	2	model	model	VERB
admet-532	24	3	physicochemical	physicochemical	ADJ
admet-532	24	4	properties	property	NOUN
admet-532	24	5	five	five	NUM
admet-532	24	6	blocks	block	NOUN
admet-532	24	7	of	of	ADP
admet-532	24	8	vs+	vs+	PROPN
admet-532	24	9	descriptors	descriptor	NOUN
admet-532	24	10	corresponding	correspond	VERB
admet-532	24	11	to	to	ADP
admet-532	24	12	five	five	NUM
admet-532	24	13	types	type	NOUN
admet-532	24	14	of	of	ADP
admet-532	24	15	intermolecular	intermolecular	ADJ
admet-532	24	16	interactions	interaction	NOUN
admet-532	24	17	are	be	AUX
admet-532	24	18	essential	essential	ADJ
admet-532	24	19	:	:	PUNCT
admet-532	24	20	1	1	X
admet-532	24	21	)	)	PUNCT
admet-532	24	22	the	the	DET
admet-532	24	23	dry	dry	ADJ
admet-532	24	24	block	block	NOUN
admet-532	24	25	:	:	PUNCT
admet-532	24	26	the	the	DET
admet-532	24	27	dry	dry	ADJ
admet-532	24	28	probe	probe	NOUN
admet-532	24	29	is	be	AUX
admet-532	24	30	used	use	VERB
admet-532	24	31	to	to	PART
admet-532	24	32	calculate	calculate	VERB
admet-532	24	33	descriptors	descriptor	NOUN
admet-532	24	34	related	relate	VERB
admet-532	24	35	to	to	ADP
admet-532	24	36	the	the	DET
admet-532	24	37	hydrophobic	hydrophobic	NOUN
admet-532	24	38	interaction	interaction	NOUN
admet-532	24	39	taking	take	VERB
admet-532	24	40	into	into	ADP
admet-532	24	41	account	account	NOUN
admet-532	24	42	both	both	CCONJ
admet-532	24	43	the	the	DET
admet-532	24	44	entropic	entropic	ADJ
admet-532	24	45	and	and	CCONJ
admet-532	24	46	enthalpic	enthalpic	NOUN
admet-532	24	47	effects	effect	NOUN
admet-532	24	48	[	[	X
admet-532	24	49	13	13	NUM
admet-532	24	50	]	]	SYM
admet-532	24	51	;	;	PUNCT
admet-532	24	52	2	2	X
admet-532	24	53	)	)	PUNCT
admet-532	24	54	the	the	DET
admet-532	24	55	oh2	oh2	NOUN
admet-532	24	56	block	block	NOUN
admet-532	24	57	:	:	PUNCT
admet-532	24	58	the	the	DET
admet-532	24	59	oh2	oh2	NOUN
admet-532	24	60	probe	probe	NOUN
admet-532	24	61	mimics	mimic	VERB
admet-532	24	62	water	water	NOUN
admet-532	24	63	interaction	interaction	NOUN
admet-532	24	64	with	with	ADP
admet-532	24	65	the	the	DET
admet-532	24	66	target	target	NOUN
admet-532	24	67	surface	surface	NOUN
admet-532	24	68	and	and	CCONJ
admet-532	24	69	thus	thus	ADV
admet-532	24	70	is	be	AUX
admet-532	24	71	used	use	VERB
admet-532	24	72	to	to	PART
admet-532	24	73	calculate	calculate	VERB
admet-532	24	74	descriptors	descriptor	NOUN
admet-532	24	75	related	relate	VERB
admet-532	24	76	to	to	ADP
admet-532	24	77	hydrophilic	hydrophilic	ADJ
admet-532	24	78	properties	property	NOUN
admet-532	24	79	of	of	ADP
admet-532	24	80	the	the	DET
admet-532	24	81	target	target	NOUN
admet-532	24	82	;	;	PUNCT
admet-532	24	83	3	3	X
admet-532	24	84	)	)	PUNCT
admet-532	24	85	the	the	DET
admet-532	24	86	nh	nh	PROPN
admet-532	24	87	block	block	NOUN
admet-532	24	88	:	:	PUNCT
admet-532	24	89	the	the	DET
admet-532	24	90	hydrogen	hydrogen	NOUN
admet-532	24	91	bond	bond	NOUN
admet-532	24	92	acceptor	acceptor	NOUN
admet-532	24	93	(	(	PUNCT
admet-532	24	94	hba	hba	NOUN
admet-532	24	95	)	)	PUNCT
admet-532	24	96	properties	property	NOUN
admet-532	24	97	of	of	ADP
admet-532	24	98	the	the	DET
admet-532	24	99	target	target	NOUN
admet-532	24	100	are	be	AUX
admet-532	24	101	evaluated	evaluate	VERB
admet-532	24	102	using	use	VERB
admet-532	24	103	a	a	DET
admet-532	24	104	hydrogen	hydrogen	NOUN
admet-532	24	105	bond	bond	NOUN
admet-532	24	106	donor	donor	NOUN
admet-532	24	107	(	(	PUNCT
admet-532	24	108	nh	nh	NOUN
admet-532	24	109	)	)	PUNCT
admet-532	24	110	probe	probe	NOUN
admet-532	24	111	4	4	NUM
admet-532	24	112	)	)	PUNCT
admet-532	24	113	the	the	DET
admet-532	24	114	o	o	NOUN
admet-532	24	115	block	block	NOUN
admet-532	24	116	:	:	PUNCT
admet-532	24	117	the	the	DET
admet-532	24	118	hydrogen	hydrogen	NOUN
admet-532	24	119	bond	bond	NOUN
admet-532	24	120	donor	donor	NOUN
admet-532	24	121	(	(	PUNCT
admet-532	24	122	hbd	hbd	NOUN
admet-532	24	123	)	)	PUNCT
admet-532	24	124	properties	property	NOUN
admet-532	24	125	of	of	ADP
admet-532	24	126	the	the	DET
admet-532	24	127	target	target	NOUN
admet-532	24	128	are	be	AUX
admet-532	24	129	evaluated	evaluate	VERB
admet-532	24	130	using	use	VERB
admet-532	24	131	an	an	DET
admet-532	24	132	hydrogen	hydrogen	NOUN
admet-532	24	133	bond	bond	NOUN
admet-532	24	134	acceptor	acceptor	NOUN
admet-532	24	135	(	(	PUNCT
admet-532	24	136	o	o	NOUN
admet-532	24	137	)	)	PUNCT
admet-532	24	138	probe	probe	NOUN
admet-532	24	139	,	,	PUNCT
admet-532	24	140	5	5	NUM
admet-532	24	141	)	)	PUNCT
admet-532	24	142	the	the	DET
admet-532	24	143	others	other	NOUN
admet-532	24	144	block	block	VERB
admet-532	24	145	:	:	PUNCT
admet-532	24	146	additional	additional	ADJ
admet-532	24	147	molecular	molecular	ADJ
admet-532	24	148	descriptors	descriptor	NOUN
admet-532	24	149	are	be	AUX
admet-532	24	150	obtained	obtain	VERB
admet-532	24	151	using	use	VERB
admet-532	24	152	a	a	DET
admet-532	24	153	combination	combination	NOUN
admet-532	24	154	of	of	ADP
admet-532	24	155	information	information	NOUN
admet-532	24	156	derived	derive	VERB
admet-532	24	157	from	from	ADP
admet-532	24	158	different	different	ADJ
admet-532	24	159	probes	probe	NOUN
admet-532	24	160	to	to	PART
admet-532	24	161	represent	represent	VERB
admet-532	24	162	the	the	DET
admet-532	24	163	unbalance	unbalance	NOUN
admet-532	24	164	of	of	ADP
admet-532	24	165	hydrophilic	hydrophilic	ADJ
admet-532	24	166	and	and	CCONJ
admet-532	24	167	hydrophobic	hydrophobic	NOUN
admet-532	24	168	regions	region	NOUN
admet-532	24	169	on	on	ADP
admet-532	24	170	the	the	DET
admet-532	24	171	surface	surface	NOUN
admet-532	24	172	target	target	NOUN
admet-532	24	173	.	.	PUNCT
admet-532	25	1	finally	finally	ADV
admet-532	25	2	,	,	PUNCT
admet-532	25	3	in	in	ADP
admet-532	25	4	line	line	NOUN
admet-532	25	5	with	with	ADP
admet-532	25	6	the	the	DET
admet-532	25	7	evidence	evidence	NOUN
admet-532	25	8	that	that	SCONJ
admet-532	25	9	molecular	molecular	ADJ
admet-532	25	10	dimensions	dimension	NOUN
admet-532	25	11	are	be	AUX
admet-532	25	12	crucial	crucial	ADJ
admet-532	25	13	to	to	PART
admet-532	25	14	characterize	characterize	VERB
admet-532	25	15	drug	drug	NOUN
admet-532	25	16	-	-	PUNCT
admet-532	25	17	like	like	ADJ
admet-532	25	18	candidates	candidate	NOUN
admet-532	25	19	[	[	X
admet-532	25	20	14	14	NUM
admet-532	25	21	]	]	X
admet-532	25	22	,	,	PUNCT
admet-532	25	23	a	a	DET
admet-532	25	24	sixth	sixth	ADJ
admet-532	25	25	block	block	NOUN
admet-532	25	26	of	of	ADP
admet-532	25	27	size	size	NOUN
admet-532	25	28	and	and	CCONJ
admet-532	25	29	shape	shape	NOUN
admet-532	25	30	descriptors	descriptor	NOUN
admet-532	25	31	(	(	PUNCT
admet-532	25	32	the	the	DET
admet-532	25	33	size	size	NOUN
admet-532	25	34	block	block	NOUN
admet-532	25	35	)	)	PUNCT
admet-532	25	36	can	can	AUX
admet-532	25	37	not	not	PART
admet-532	25	38	be	be	AUX
admet-532	25	39	neglected	neglect	VERB
admet-532	25	40	.	.	PUNCT
admet-532	26	1	overall	overall	ADJ
admet-532	26	2	the	the	DET
admet-532	26	3	six	six	NUM
admet-532	26	4	blocks	block	NOUN
admet-532	26	5	of	of	ADP
admet-532	26	6	vs+	vs+	PROPN
admet-532	26	7	descriptors	descriptor	NOUN
admet-532	26	8	listed	list	VERB
admet-532	26	9	above	above	ADV
admet-532	26	10	define	define	VERB
admet-532	26	11	the	the	DET
admet-532	26	12	capacity	capacity	NOUN
admet-532	26	13	of	of	ADP
admet-532	26	14	the	the	DET
admet-532	26	15	drug	drug	NOUN
admet-532	26	16	to	to	PART
admet-532	26	17	form	form	VERB
admet-532	26	18	intermolecular	intermolecular	ADJ
admet-532	26	19	interactions	interaction	NOUN
admet-532	26	20	and	and	CCONJ
admet-532	26	21	thus	thus	ADV
admet-532	26	22	can	can	AUX
admet-532	26	23	be	be	AUX
admet-532	26	24	reasonably	reasonably	ADV
admet-532	26	25	used	use	VERB
admet-532	26	26	in	in	ADP
admet-532	26	27	qspr	qspr	NOUN
admet-532	26	28	for	for	ADP
admet-532	26	29	modelling	model	VERB
admet-532	26	30	physicochemical	physicochemical	ADJ
admet-532	26	31	properties	property	NOUN
admet-532	26	32	.	.	PUNCT
admet-532	27	1	in	in	ADP
admet-532	27	2	some	some	DET
admet-532	27	3	cases	case	NOUN
admet-532	27	4	,	,	PUNCT
admet-532	27	5	the	the	DET
admet-532	27	6	properties	property	NOUN
admet-532	27	7	are	be	AUX
admet-532	27	8	related	relate	VERB
admet-532	27	9	to	to	ADP
admet-532	27	10	chemical	chemical	ADJ
admet-532	27	11	descriptors	descriptor	NOUN
admet-532	27	12	through	through	ADP
admet-532	27	13	physicochemical	physicochemical	ADJ
admet-532	27	14	theories	theory	NOUN
admet-532	27	15	,	,	PUNCT
admet-532	27	16	(	(	PUNCT
admet-532	27	17	e.g.	e.g.	ADV
admet-532	27	18	absorbance	absorbance	NOUN
admet-532	27	19	vs	vs	ADP
admet-532	27	20	concentration	concentration	NOUN
admet-532	27	21	,	,	PUNCT
admet-532	27	22	lambert	lambert	NOUN
admet-532	27	23	-	-	PUNCT
admet-532	27	24	beer	beer	NOUN
admet-532	27	25	equation	equation	NOUN
admet-532	27	26	)	)	PUNCT
admet-532	27	27	;	;	PUNCT
admet-532	27	28	more	more	ADV
admet-532	27	29	often	often	ADV
admet-532	27	30	,	,	PUNCT
admet-532	27	31	properties	property	NOUN
admet-532	27	32	and	and	CCONJ
admet-532	27	33	descriptors	descriptor	NOUN
admet-532	27	34	relations	relation	NOUN
admet-532	27	35	can	can	AUX
admet-532	27	36	be	be	AUX
admet-532	27	37	found	find	VERB
admet-532	27	38	through	through	ADP
admet-532	27	39	a	a	DET
admet-532	27	40	statistical	statistical	ADJ
admet-532	27	41	treatment	treatment	NOUN
admet-532	27	42	.	.	PUNCT
admet-532	28	1	when	when	SCONJ
admet-532	28	2	a	a	DET
admet-532	28	3	statistical	statistical	ADJ
admet-532	28	4	approach	approach	NOUN
admet-532	28	5	is	be	AUX
admet-532	28	6	required	require	VERB
admet-532	28	7	,	,	PUNCT
admet-532	28	8	a	a	DET
admet-532	28	9	mechanistic	mechanistic	ADJ
admet-532	28	10	interpretation	interpretation	NOUN
admet-532	28	11	of	of	ADP
admet-532	28	12	the	the	DET
admet-532	28	13	validated	validate	VERB
admet-532	28	14	model	model	NOUN
admet-532	28	15	is	be	AUX
admet-532	28	16	not	not	PART
admet-532	28	17	always	always	ADV
admet-532	28	18	straightforward	straightforward	ADJ
admet-532	28	19	since	since	SCONJ
admet-532	28	20	the	the	DET
admet-532	28	21	presence	presence	NOUN
admet-532	28	22	of	of	ADP
admet-532	28	23	a	a	DET
admet-532	28	24	correlation	correlation	NOUN
admet-532	28	25	between	between	ADP
admet-532	28	26	two	two	NUM
admet-532	28	27	variables	variable	NOUN
admet-532	28	28	does	do	AUX
admet-532	28	29	not	not	PART
admet-532	28	30	imply	imply	VERB
admet-532	28	31	causation	causation	NOUN
admet-532	28	32	.	.	PUNCT
admet-532	29	1	therefore	therefore	ADV
admet-532	29	2	,	,	PUNCT
admet-532	29	3	to	to	PART
admet-532	29	4	obtain	obtain	VERB
admet-532	29	5	a	a	DET
admet-532	29	6	mechanistic	mechanistic	ADJ
admet-532	29	7	interpretation	interpretation	NOUN
admet-532	29	8	of	of	ADP
admet-532	29	9	the	the	DET
admet-532	29	10	model	model	NOUN
admet-532	29	11	(	(	PUNCT
admet-532	29	12	this	this	PRON
admet-532	29	13	is	be	AUX
admet-532	29	14	an	an	DET
admet-532	29	15	essential	essential	ADJ
admet-532	29	16	step	step	NOUN
admet-532	29	17	for	for	ADP
admet-532	29	18	property	property	NOUN
admet-532	29	19	-	-	PUNCT
admet-532	29	20	based	base	VERB
admet-532	29	21	drug	drug	NOUN
admet-532	29	22	discovery	discovery	NOUN
admet-532	29	23	purposes	purpose	NOUN
admet-532	29	24	)	)	PUNCT
admet-532	29	25	,	,	PUNCT
admet-532	29	26	it	it	PRON
admet-532	29	27	is	be	AUX
admet-532	29	28	necessary	necessary	ADJ
admet-532	29	29	to	to	PART
admet-532	29	30	weight	weight	VERB
admet-532	29	31	the	the	DET
admet-532	29	32	contribution	contribution	NOUN
admet-532	29	33	of	of	ADP
admet-532	29	34	each	each	DET
admet-532	29	35	descriptor	descriptor	NOUN
admet-532	29	36	to	to	ADP
admet-532	29	37	the	the	DET
admet-532	29	38	final	final	ADJ
admet-532	29	39	model	model	NOUN
admet-532	29	40	.	.	PUNCT
admet-532	30	1	many	many	ADJ
admet-532	30	2	algorithms	algorithm	NOUN
admet-532	30	3	could	could	AUX
admet-532	30	4	be	be	AUX
admet-532	30	5	used	use	VERB
admet-532	30	6	to	to	PART
admet-532	30	7	correlate	correlate	VERB
admet-532	30	8	properties	property	NOUN
admet-532	30	9	http://www.moldiscovery.com/	http://www.moldiscovery.com/	NOUN
admet-532	30	10	admet	admet	PROPN
admet-532	30	11	&	&	CCONJ
admet-532	30	12	dmpk	dmpk	PROPN
admet-532	30	13	6(3	6(3	PROPN
admet-532	30	14	)	)	PUNCT
admet-532	30	15	(	(	PUNCT
admet-532	30	16	2018	2018	NUM
admet-532	30	17	)	)	PUNCT
admet-532	31	1	215	215	NUM
admet-532	31	2	-	-	SYM
admet-532	31	3	224	224	NUM
admet-532	31	4	block	block	NOUN
admet-532	31	5	relevance	relevance	NOUN
admet-532	31	6	analysis	analysis	NOUN
admet-532	31	7	in	in	ADP
admet-532	31	8	property	property	NOUN
admet-532	31	9	-	-	PUNCT
admet-532	31	10	based	base	VERB
admet-532	31	11	drug	drug	NOUN
admet-532	31	12	design	design	NOUN
admet-532	31	13	doi	doi	NOUN
admet-532	31	14	:	:	PUNCT
admet-532	31	15	10.5599	10.5599	NUM
admet-532	31	16	/	/	SYM
admet-532	31	17	admet.532	admet.532	NOUN
admet-532	31	18	217	217	NUM
admet-532	31	19	with	with	ADP
admet-532	31	20	descriptors	descriptor	NOUN
admet-532	31	21	,	,	PUNCT
admet-532	31	22	showing	show	VERB
admet-532	31	23	different	different	ADJ
admet-532	31	24	capacities	capacity	NOUN
admet-532	31	25	to	to	PART
admet-532	31	26	accurately	accurately	ADV
admet-532	31	27	describe	describe	VERB
admet-532	31	28	the	the	DET
admet-532	31	29	contribution	contribution	NOUN
admet-532	31	30	of	of	ADP
admet-532	31	31	the	the	DET
admet-532	31	32	descriptors	descriptor	NOUN
admet-532	31	33	to	to	ADP
admet-532	31	34	the	the	DET
admet-532	31	35	model	model	NOUN
admet-532	31	36	[	[	X
admet-532	31	37	15	15	NUM
admet-532	31	38	]	]	PUNCT
admet-532	31	39	.	.	PUNCT
admet-532	32	1	multilinear	multilinear	PROPN
admet-532	32	2	regression	regression	PROPN
admet-532	32	3	(	(	PUNCT
admet-532	32	4	mlr	mlr	NOUN
admet-532	32	5	)	)	PUNCT
admet-532	32	6	is	be	AUX
admet-532	32	7	the	the	DET
admet-532	32	8	simplest	simple	ADJ
admet-532	32	9	tool	tool	NOUN
admet-532	32	10	to	to	PART
admet-532	32	11	obtain	obtain	VERB
admet-532	32	12	and	and	CCONJ
admet-532	32	13	to	to	PART
admet-532	32	14	interpret	interpret	VERB
admet-532	32	15	models	model	NOUN
admet-532	32	16	but	but	CCONJ
admet-532	32	17	its	its	PRON
admet-532	32	18	application	application	NOUN
admet-532	32	19	is	be	AUX
admet-532	32	20	appropriate	appropriate	ADJ
admet-532	32	21	only	only	ADV
admet-532	32	22	with	with	ADP
admet-532	32	23	a	a	DET
admet-532	32	24	few	few	ADJ
admet-532	32	25	models	model	NOUN
admet-532	32	26	and	and	CCONJ
admet-532	32	27	not	not	PART
admet-532	32	28	intercorrelated	intercorrelate	VERB
admet-532	32	29	descriptors	descriptor	NOUN
admet-532	32	30	are	be	AUX
admet-532	32	31	needed	need	VERB
admet-532	32	32	.	.	PUNCT
admet-532	33	1	the	the	DET
admet-532	33	2	partial	partial	ADJ
admet-532	33	3	least	least	ADJ
admet-532	33	4	squares	square	NOUN
admet-532	33	5	(	(	PUNCT
admet-532	33	6	pls	pls	INTJ
admet-532	33	7	)	)	PUNCT
admet-532	33	8	method	method	NOUN
admet-532	33	9	data	datum	NOUN
admet-532	33	10	analysis	analysis	NOUN
admet-532	33	11	is	be	AUX
admet-532	33	12	also	also	ADV
admet-532	33	13	widely	widely	ADV
admet-532	33	14	used	use	VERB
admet-532	33	15	in	in	ADP
admet-532	33	16	medicinal	medicinal	ADJ
admet-532	33	17	chemistry	chemistry	NOUN
admet-532	33	18	.	.	PUNCT
admet-532	34	1	pls	pls	PROPN
admet-532	34	2	manages	manage	VERB
admet-532	34	3	a	a	DET
admet-532	34	4	large	large	ADJ
admet-532	34	5	number	number	NOUN
admet-532	34	6	of	of	ADP
admet-532	34	7	potential	potential	ADJ
admet-532	34	8	intercorrelated	intercorrelate	VERB
admet-532	34	9	descriptors	descriptor	NOUN
admet-532	34	10	by	by	ADP
admet-532	34	11	projecting	project	VERB
admet-532	34	12	the	the	DET
admet-532	34	13	data	datum	NOUN
admet-532	34	14	into	into	ADP
admet-532	34	15	a	a	DET
admet-532	34	16	low	low	ADJ
admet-532	34	17	dimensional	dimensional	ADJ
admet-532	34	18	and	and	CCONJ
admet-532	34	19	not	not	PART
admet-532	34	20	intercorrelated	intercorrelate	VERB
admet-532	34	21	“	"	PUNCT
admet-532	34	22	latent	latent	ADJ
admet-532	34	23	variable	variable	NOUN
admet-532	34	24	”	"	PUNCT
admet-532	34	25	space	space	NOUN
admet-532	34	26	.	.	PUNCT
admet-532	35	1	components	component	NOUN
admet-532	35	2	in	in	ADP
admet-532	35	3	pls	pls	PROPN
admet-532	35	4	are	be	AUX
admet-532	35	5	constructed	construct	VERB
admet-532	35	6	to	to	PART
admet-532	35	7	maximize	maximize	VERB
admet-532	35	8	the	the	DET
admet-532	35	9	covariance	covariance	NOUN
admet-532	35	10	between	between	ADP
admet-532	35	11	the	the	DET
admet-532	35	12	dependent	dependent	ADJ
admet-532	35	13	variable	variable	ADJ
admet-532	35	14	y	y	PROPN
admet-532	35	15	and	and	CCONJ
admet-532	35	16	the	the	DET
admet-532	35	17	original	original	ADJ
admet-532	35	18	independent	independent	ADJ
admet-532	35	19	variables	variable	NOUN
admet-532	35	20	x	x	PUNCT
admet-532	36	1	[	[	X
admet-532	36	2	8	8	NUM
admet-532	36	3	]	]	PUNCT
admet-532	36	4	.	.	PUNCT
admet-532	37	1	to	to	PART
admet-532	37	2	extract	extract	VERB
admet-532	37	3	the	the	DET
admet-532	37	4	contribution	contribution	NOUN
admet-532	37	5	of	of	ADP
admet-532	37	6	any	any	DET
admet-532	37	7	descriptor	descriptor	NOUN
admet-532	37	8	from	from	ADP
admet-532	37	9	pls	pls	PROPN
admet-532	37	10	models	model	NOUN
admet-532	37	11	,	,	PUNCT
admet-532	37	12	the	the	DET
admet-532	37	13	analysis	analysis	NOUN
admet-532	37	14	of	of	ADP
admet-532	37	15	vips	vip	NOUN
admet-532	37	16	and	and	CCONJ
admet-532	37	17	coefficients	coefficient	NOUN
admet-532	37	18	plots	plot	NOUN
admet-532	37	19	is	be	AUX
admet-532	37	20	needed	need	VERB
admet-532	37	21	(	(	PUNCT
admet-532	37	22	see	see	VERB
admet-532	37	23	below	below	ADV
admet-532	37	24	)	)	PUNCT
admet-532	37	25	.	.	PUNCT
admet-532	38	1	recently	recently	ADV
admet-532	38	2	,	,	PUNCT
admet-532	38	3	nonlinear	nonlinear	ADJ
admet-532	38	4	approaches	approach	NOUN
admet-532	38	5	,	,	PUNCT
admet-532	38	6	such	such	ADJ
admet-532	38	7	as	as	ADP
admet-532	38	8	artificial	artificial	ADJ
admet-532	38	9	neural	neural	ADJ
admet-532	38	10	networks	network	NOUN
admet-532	38	11	(	(	PUNCT
admet-532	38	12	ann	ann	PROPN
admet-532	38	13	)	)	PUNCT
admet-532	38	14	or	or	CCONJ
admet-532	38	15	support	support	VERB
admet-532	38	16	vector	vector	NOUN
admet-532	38	17	machines	machine	NOUN
admet-532	38	18	(	(	PUNCT
admet-532	38	19	svm	svm	PROPN
admet-532	38	20	)	)	PUNCT
admet-532	38	21	,	,	PUNCT
admet-532	38	22	have	have	AUX
admet-532	38	23	attracted	attract	VERB
admet-532	38	24	the	the	DET
admet-532	38	25	attention	attention	NOUN
admet-532	38	26	of	of	ADP
admet-532	38	27	many	many	ADJ
admet-532	38	28	practitioners	practitioner	NOUN
admet-532	38	29	.	.	PUNCT
admet-532	39	1	these	these	DET
admet-532	39	2	methods	method	NOUN
admet-532	39	3	can	can	AUX
admet-532	39	4	“	"	PUNCT
admet-532	39	5	catch	catch	VERB
admet-532	39	6	”	"	PUNCT
admet-532	39	7	hidden	hide	VERB
admet-532	39	8	nonlinearities	nonlinearitie	NOUN
admet-532	39	9	between	between	ADP
admet-532	39	10	properties	property	NOUN
admet-532	39	11	and	and	CCONJ
admet-532	39	12	descriptors	descriptor	NOUN
admet-532	39	13	providing	provide	VERB
admet-532	39	14	better	well	ADJ
admet-532	39	15	predictors	predictor	NOUN
admet-532	39	16	than	than	ADP
admet-532	39	17	the	the	DET
admet-532	39	18	linear	linear	NOUN
admet-532	39	19	models	model	NOUN
admet-532	39	20	.	.	PUNCT
admet-532	40	1	however	however	ADV
admet-532	40	2	,	,	PUNCT
admet-532	40	3	these	these	DET
admet-532	40	4	nonlinear	nonlinear	ADJ
admet-532	40	5	methods	method	NOUN
admet-532	40	6	are	be	AUX
admet-532	40	7	not	not	PART
admet-532	40	8	as	as	ADV
admet-532	40	9	easy	easy	ADJ
admet-532	40	10	to	to	PART
admet-532	40	11	interpret	interpret	VERB
admet-532	40	12	as	as	ADP
admet-532	40	13	the	the	DET
admet-532	40	14	mlr	mlr	NOUN
admet-532	40	15	or	or	CCONJ
admet-532	40	16	pls	pls	NOUN
admet-532	40	17	models	model	NOUN
admet-532	40	18	[	[	X
admet-532	40	19	8	8	NUM
admet-532	40	20	]	]	PUNCT
admet-532	40	21	,	,	PUNCT
admet-532	40	22	since	since	SCONJ
admet-532	40	23	they	they	PRON
admet-532	40	24	are	be	AUX
admet-532	40	25	by	by	ADP
admet-532	40	26	definition	definition	NOUN
admet-532	40	27	“	"	PUNCT
admet-532	40	28	black	black	ADJ
admet-532	40	29	boxes	box	NOUN
admet-532	40	30	”	"	PUNCT
admet-532	40	31	preventing	prevent	VERB
admet-532	40	32	any	any	DET
admet-532	40	33	interpretation	interpretation	NOUN
admet-532	40	34	of	of	ADP
admet-532	40	35	underlying	underlie	VERB
admet-532	40	36	mechanisms	mechanism	NOUN
admet-532	40	37	.	.	PUNCT
admet-532	41	1	block	block	NOUN
admet-532	41	2	relevance	relevance	NOUN
admet-532	41	3	(	(	PUNCT
admet-532	41	4	br	br	NOUN
admet-532	41	5	)	)	PUNCT
admet-532	41	6	analysis	analysis	NOUN
admet-532	41	7	as	as	ADP
admet-532	41	8	a	a	DET
admet-532	41	9	tool	tool	NOUN
admet-532	41	10	to	to	PART
admet-532	41	11	interpret	interpret	VERB
admet-532	41	12	qspr	qspr	PROPN
admet-532	41	13	/	/	SYM
admet-532	41	14	pls	pls	NOUN
admet-532	41	15	models	model	NOUN
admet-532	41	16	as	as	SCONJ
admet-532	41	17	mentioned	mention	VERB
admet-532	41	18	above	above	ADP
admet-532	41	19	pls	pls	NOUN
admet-532	41	20	is	be	AUX
admet-532	41	21	a	a	DET
admet-532	41	22	widely	widely	ADV
admet-532	41	23	used	use	VERB
admet-532	41	24	algorithm	algorithm	NOUN
admet-532	41	25	to	to	PART
admet-532	41	26	generate	generate	VERB
admet-532	41	27	qspr	qspr	NOUN
admet-532	41	28	models	model	NOUN
admet-532	41	29	which	which	PRON
admet-532	41	30	,	,	PUNCT
admet-532	41	31	however	however	ADV
admet-532	41	32	,	,	PUNCT
admet-532	41	33	are	be	AUX
admet-532	41	34	often	often	ADV
admet-532	41	35	not	not	PART
admet-532	41	36	easy	easy	ADJ
admet-532	41	37	to	to	PART
admet-532	41	38	interpret	interpret	VERB
admet-532	41	39	.	.	PUNCT
admet-532	42	1	it	it	PRON
admet-532	42	2	is	be	AUX
admet-532	42	3	described	describe	VERB
admet-532	42	4	below	below	ADP
admet-532	42	5	how	how	SCONJ
admet-532	42	6	br	br	NOUN
admet-532	42	7	analysis	analysis	NOUN
admet-532	42	8	can	can	AUX
admet-532	42	9	overcome	overcome	VERB
admet-532	42	10	this	this	DET
admet-532	42	11	limit	limit	NOUN
admet-532	42	12	.	.	PUNCT
admet-532	43	1	theory	theory	NOUN
admet-532	43	2	variable	variable	ADJ
admet-532	43	3	importance	importance	NOUN
admet-532	43	4	in	in	ADP
admet-532	43	5	projection	projection	NOUN
admet-532	43	6	(	(	PUNCT
admet-532	43	7	vip	vip	NOUN
admet-532	43	8	)	)	PUNCT
admet-532	43	9	plots	plot	NOUN
admet-532	43	10	are	be	AUX
admet-532	43	11	often	often	ADV
admet-532	43	12	used	use	VERB
admet-532	43	13	to	to	PART
admet-532	43	14	find	find	VERB
admet-532	43	15	the	the	DET
admet-532	43	16	relative	relative	ADJ
admet-532	43	17	contribution	contribution	NOUN
admet-532	43	18	of	of	ADP
admet-532	43	19	each	each	DET
admet-532	43	20	descriptor	descriptor	NOUN
admet-532	43	21	to	to	ADP
admet-532	43	22	the	the	DET
admet-532	43	23	final	final	ADJ
admet-532	43	24	pls	pls	NOUN
admet-532	43	25	model	model	NOUN
admet-532	43	26	.	.	PUNCT
admet-532	44	1	the	the	DET
admet-532	44	2	vip	vip	NOUN
admet-532	44	3	for	for	ADP
admet-532	44	4	the	the	DET
admet-532	44	5	descriptor	descriptor	NOUN
admet-532	44	6	j	j	PROPN
admet-532	44	7	,	,	PUNCT
admet-532	44	8	vipj	vipj	NOUN
admet-532	44	9	is	be	AUX
admet-532	44	10	defined	define	VERB
admet-532	44	11	according	accord	VERB
admet-532	44	12	to	to	ADP
admet-532	44	13	wold	wold	PROPN
admet-532	44	14	et	et	NOUN
admet-532	44	15	al.[16	al.[16	PROPN
admet-532	44	16	]	]	PUNCT
admet-532	44	17	:	:	PUNCT
admet-532	44	18	𝑉𝐼𝑃𝑗	𝑉𝐼𝑃𝑗	X
admet-532	44	19	=	=	SYM
admet-532	44	20	{	{	PUNCT
admet-532	44	21	∑	∑	PROPN
admet-532	44	22	𝑤𝑗𝑓	𝑤𝑗𝑓	NOUN
admet-532	44	23	2	2	NUM
admet-532	44	24	𝐹	𝐹	PROPN
admet-532	44	25	𝑓=1	𝑓=1	X
admet-532	44	26	⋅𝑆𝑆𝑌𝑓⋅𝐽	⋅𝑆𝑆𝑌𝑓⋅𝐽	PUNCT
admet-532	44	27	𝑆𝑆𝑌𝑡𝑜𝑡𝑎𝑙∙𝐹	𝑆𝑆𝑌𝑡𝑜𝑡𝑎𝑙∙𝐹	NUM
admet-532	44	28	}	}	SYM
admet-532	44	29	1	1	NUM
admet-532	44	30	2	2	NUM
admet-532	44	31	(	(	PUNCT
admet-532	44	32	2	2	NUM
admet-532	44	33	)	)	PUNCT
admet-532	44	34	where	where	SCONJ
admet-532	44	35	wjf	wjf	VERB
admet-532	44	36	is	be	AUX
admet-532	44	37	the	the	DET
admet-532	44	38	weight	weight	NOUN
admet-532	44	39	value	value	NOUN
admet-532	44	40	for	for	ADP
admet-532	44	41	variable	variable	ADJ
admet-532	44	42	j	j	PROPN
admet-532	44	43	component	component	NOUN
admet-532	44	44	f	f	PROPN
admet-532	44	45	,	,	PUNCT
admet-532	44	46	ssyf	ssyf	PROPN
admet-532	44	47	is	be	AUX
admet-532	44	48	the	the	DET
admet-532	44	49	sum	sum	NOUN
admet-532	44	50	of	of	ADP
admet-532	44	51	squares	square	NOUN
admet-532	44	52	of	of	ADP
admet-532	44	53	explained	explain	VERB
admet-532	44	54	variance	variance	NOUN
admet-532	44	55	for	for	ADP
admet-532	44	56	the	the	DET
admet-532	44	57	fth	fth	NOUN
admet-532	44	58	component	component	NOUN
admet-532	44	59	and	and	CCONJ
admet-532	44	60	j	j	NOUN
admet-532	44	61	the	the	DET
admet-532	44	62	number	number	NOUN
admet-532	44	63	of	of	ADP
admet-532	44	64	variables	variable	NOUN
admet-532	44	65	.	.	PUNCT
admet-532	45	1	ssytotal	ssytotal	NOUN
admet-532	45	2	is	be	AUX
admet-532	45	3	the	the	DET
admet-532	45	4	total	total	ADJ
admet-532	45	5	sum	sum	NOUN
admet-532	45	6	of	of	ADP
admet-532	45	7	squares	square	NOUN
admet-532	45	8	explained	explain	VERB
admet-532	45	9	by	by	ADP
admet-532	45	10	the	the	DET
admet-532	45	11	dependent	dependent	ADJ
admet-532	45	12	variable	variable	NOUN
admet-532	45	13	,	,	PUNCT
admet-532	45	14	and	and	CCONJ
admet-532	45	15	f	f	PROPN
admet-532	45	16	is	be	AUX
admet-532	45	17	the	the	DET
admet-532	45	18	total	total	ADJ
admet-532	45	19	number	number	NOUN
admet-532	45	20	of	of	ADP
admet-532	45	21	components	component	NOUN
admet-532	45	22	.	.	PUNCT
admet-532	46	1	the	the	DET
admet-532	46	2	weights	weight	NOUN
admet-532	46	3	in	in	ADP
admet-532	46	4	a	a	DET
admet-532	46	5	pls	pls	NOUN
admet-532	46	6	model	model	NOUN
admet-532	46	7	reflect	reflect	VERB
admet-532	46	8	the	the	DET
admet-532	46	9	covariance	covariance	NOUN
admet-532	46	10	between	between	ADP
admet-532	46	11	the	the	DET
admet-532	46	12	independent	independent	ADJ
admet-532	46	13	and	and	CCONJ
admet-532	46	14	dependent	dependent	ADJ
admet-532	46	15	variables	variable	NOUN
admet-532	46	16	and	and	CCONJ
admet-532	46	17	the	the	DET
admet-532	46	18	inclusion	inclusion	NOUN
admet-532	46	19	of	of	ADP
admet-532	46	20	the	the	DET
admet-532	46	21	weights	weight	NOUN
admet-532	46	22	is	be	AUX
admet-532	46	23	what	what	PRON
admet-532	46	24	allows	allow	VERB
admet-532	46	25	vip	vip	NOUN
admet-532	46	26	to	to	PART
admet-532	46	27	reflect	reflect	VERB
admet-532	46	28	not	not	PART
admet-532	46	29	only	only	ADV
admet-532	46	30	how	how	SCONJ
admet-532	46	31	well	well	ADV
admet-532	46	32	the	the	DET
admet-532	46	33	dependent	dependent	ADJ
admet-532	46	34	variable	variable	NOUN
admet-532	46	35	is	be	AUX
admet-532	46	36	described	describe	VERB
admet-532	46	37	but	but	CCONJ
admet-532	46	38	also	also	ADV
admet-532	46	39	how	how	SCONJ
admet-532	46	40	important	important	ADJ
admet-532	46	41	that	that	SCONJ
admet-532	46	42	information	information	NOUN
admet-532	46	43	is	be	AUX
admet-532	46	44	for	for	ADP
admet-532	46	45	the	the	DET
admet-532	46	46	model	model	NOUN
admet-532	46	47	of	of	ADP
admet-532	46	48	the	the	DET
admet-532	46	49	independent	independent	ADJ
admet-532	46	50	variables	variable	NOUN
admet-532	46	51	.	.	PUNCT
admet-532	47	1	note	note	VERB
admet-532	47	2	that	that	SCONJ
admet-532	47	3	the	the	DET
admet-532	47	4	sum	sum	NOUN
admet-532	47	5	of	of	ADP
admet-532	47	6	squared	square	VERB
admet-532	47	7	vip	vip	NOUN
admet-532	47	8	values	value	NOUN
admet-532	47	9	is	be	AUX
admet-532	47	10	equal	equal	ADJ
admet-532	47	11	to	to	ADP
admet-532	47	12	the	the	DET
admet-532	47	13	number	number	NOUN
admet-532	47	14	of	of	ADP
admet-532	47	15	descriptors	descriptor	NOUN
admet-532	47	16	(	(	PUNCT
admet-532	47	17	j	j	NOUN
admet-532	47	18	):	):	PUNCT
admet-532	47	19	∑	∑	PROPN
admet-532	47	20	𝑉𝐼𝑃ⅈ=1	𝑉𝐼𝑃ⅈ=1	NUM
admet-532	47	21	2𝐹	2𝐹	NOUN
admet-532	47	22	𝑗=1	𝑗=1	PROPN
admet-532	47	23	=	=	SYM
admet-532	47	24	𝐽	𝐽	PROPN
admet-532	47	25	(	(	PUNCT
admet-532	47	26	3	3	NUM
admet-532	47	27	)	)	PUNCT
admet-532	47	28	to	to	PART
admet-532	47	29	make	make	VERB
admet-532	47	30	easier	easy	ADJ
admet-532	47	31	pls	pls	VERB
admet-532	47	32	interpretations	interpretation	NOUN
admet-532	47	33	we	we	PRON
admet-532	47	34	assume	assume	VERB
admet-532	47	35	that	that	SCONJ
admet-532	47	36	descriptors	descriptor	NOUN
admet-532	47	37	,	,	PUNCT
admet-532	47	38	if	if	SCONJ
admet-532	47	39	conveniently	conveniently	ADV
admet-532	47	40	chosen	choose	VERB
admet-532	47	41	,	,	PUNCT
admet-532	47	42	can	can	AUX
admet-532	47	43	be	be	AUX
admet-532	47	44	grouped	group	VERB
admet-532	47	45	in	in	ADP
admet-532	47	46	blocks	block	NOUN
admet-532	47	47	.	.	PUNCT
admet-532	48	1	the	the	DET
admet-532	48	2	block	block	NOUN
admet-532	48	3	relevance	relevance	NOUN
admet-532	48	4	(	(	PUNCT
admet-532	48	5	br	br	NOUN
admet-532	48	6	)	)	PUNCT
admet-532	48	7	of	of	ADP
admet-532	48	8	each	each	DET
admet-532	48	9	block	block	NOUN
admet-532	48	10	of	of	ADP
admet-532	48	11	descriptors	descriptor	NOUN
admet-532	48	12	was	be	AUX
admet-532	48	13	defined	define	VERB
admet-532	48	14	as	as	ADP
admet-532	48	15	the	the	DET
admet-532	48	16	ratio	ratio	NOUN
admet-532	48	17	of	of	ADP
admet-532	48	18	the	the	DET
admet-532	48	19	sum	sum	NOUN
admet-532	48	20	of	of	ADP
admet-532	48	21	the	the	DET
admet-532	48	22	squared	square	VERB
admet-532	48	23	vip	vip	NOUN
admet-532	48	24	values	value	NOUN
admet-532	48	25	of	of	ADP
admet-532	48	26	a	a	DET
admet-532	48	27	given	give	VERB
admet-532	48	28	block	block	NOUN
admet-532	48	29	of	of	ADP
admet-532	48	30	descriptors	descriptor	NOUN
admet-532	48	31	to	to	ADP
admet-532	48	32	the	the	DET
admet-532	48	33	number	number	NOUN
admet-532	48	34	of	of	ADP
admet-532	48	35	those	those	DET
admet-532	48	36	descriptors	descriptor	NOUN
admet-532	48	37	.	.	PUNCT
admet-532	49	1	𝐵𝑅𝑖	𝐵𝑅𝑖	PROPN
admet-532	49	2	=	=	SYM
admet-532	49	3	∑	∑	PUNCT
admet-532	49	4	𝑉𝐼𝑃𝑗	𝑉𝐼𝑃𝑗	NOUN
admet-532	49	5	2	2	NUM
admet-532	49	6	𝑁𝑖	𝑁𝑖	PROPN
admet-532	49	7	𝑗=1	𝑗=1	SYM
admet-532	49	8	𝑁𝑖	𝑁𝑖	PROPN
admet-532	49	9	(	(	PUNCT
admet-532	49	10	4	4	NUM
admet-532	49	11	)	)	PUNCT
admet-532	49	12	where	where	SCONJ
admet-532	49	13	i	i	PRON
admet-532	49	14	is	be	AUX
admet-532	49	15	the	the	DET
admet-532	49	16	number	number	NOUN
admet-532	49	17	of	of	ADP
admet-532	49	18	blocks	block	NOUN
admet-532	49	19	(	(	PUNCT
admet-532	49	20	6	6	NUM
admet-532	49	21	)	)	PUNCT
admet-532	49	22	,	,	PUNCT
admet-532	49	23	n	n	PRON
admet-532	49	24	is	be	AUX
admet-532	49	25	the	the	DET
admet-532	49	26	number	number	NOUN
admet-532	49	27	of	of	ADP
admet-532	49	28	descriptors	descriptor	NOUN
admet-532	49	29	for	for	ADP
admet-532	49	30	any	any	DET
admet-532	49	31	block	block	NOUN
admet-532	49	32	,	,	PUNCT
admet-532	49	33	vipj	vipj	NOUN
admet-532	49	34	is	be	AUX
admet-532	49	35	the	the	DET
admet-532	49	36	value	value	NOUN
admet-532	49	37	of	of	ADP
admet-532	49	38	vip	vip	NOUN
admet-532	49	39	for	for	ADP
admet-532	49	40	each	each	DET
admet-532	49	41	predictor	predictor	NOUN
admet-532	49	42	fitting	fit	VERB
admet-532	49	43	the	the	DET
admet-532	49	44	pls	pls	PROPN
admet-532	49	45	model	model	NOUN
admet-532	49	46	.	.	PUNCT
admet-532	50	1	br	br	PROPN
admet-532	50	2	shows	show	VERB
admet-532	50	3	the	the	DET
admet-532	50	4	relevance	relevance	NOUN
admet-532	50	5	of	of	ADP
admet-532	50	6	a	a	DET
admet-532	50	7	certain	certain	ADJ
admet-532	50	8	block	block	NOUN
admet-532	50	9	of	of	ADP
admet-532	50	10	descriptors	descriptor	NOUN
admet-532	50	11	in	in	ADP
admet-532	50	12	the	the	DET
admet-532	50	13	model	model	NOUN
admet-532	50	14	;	;	PUNCT
admet-532	50	15	the	the	PRON
admet-532	50	16	higher	high	ADJ
admet-532	50	17	the	the	DET
admet-532	50	18	value	value	NOUN
admet-532	50	19	of	of	ADP
admet-532	50	20	br	br	PROPN
admet-532	50	21	,	,	PUNCT
admet-532	50	22	the	the	DET
admet-532	50	23	more	more	ADV
admet-532	50	24	important	important	ADJ
admet-532	50	25	is	be	AUX
admet-532	50	26	that	that	DET
admet-532	50	27	block	block	NOUN
admet-532	50	28	.	.	PUNCT
admet-532	51	1	ermondi	ermondi	PROPN
admet-532	51	2	and	and	CCONJ
admet-532	51	3	caron	caron	PROPN
admet-532	51	4	admet	admet	PROPN
admet-532	51	5	&	&	CCONJ
admet-532	51	6	dmpk	dmpk	PROPN
admet-532	51	7	6(3	6(3	PROPN
admet-532	51	8	)	)	PUNCT
admet-532	51	9	(	(	PUNCT
admet-532	51	10	2018	2018	NUM
admet-532	51	11	)	)	PUNCT
admet-532	51	12	215	215	NUM
admet-532	51	13	-	-	SYM
admet-532	51	14	224	224	NUM
admet-532	51	15	218	218	NUM
admet-532	51	16	depending	depend	VERB
admet-532	51	17	on	on	ADP
admet-532	51	18	the	the	DET
admet-532	51	19	sign	sign	NOUN
admet-532	51	20	of	of	ADP
admet-532	51	21	the	the	DET
admet-532	51	22	pls	pls	PROPN
admet-532	51	23	coefficient	coefficient	NOUN
admet-532	51	24	,	,	PUNCT
admet-532	51	25	br	br	PROPN
admet-532	51	26	was	be	AUX
admet-532	51	27	broken	break	VERB
admet-532	51	28	down	down	ADP
admet-532	51	29	into	into	ADP
admet-532	51	30	br	br	PROPN
admet-532	51	31	(	(	PUNCT
admet-532	51	32	+	+	NOUN
admet-532	51	33	)	)	PUNCT
admet-532	51	34	and	and	CCONJ
admet-532	51	35	br	br	INTJ
admet-532	51	36	(	(	PUNCT
admet-532	51	37	−	−	PROPN
admet-532	51	38	)	)	PUNCT
admet-532	51	39	,	,	PUNCT
admet-532	51	40	eq	eq	NOUN
admet-532	51	41	.	.	PUNCT
admet-532	51	42	(	(	PUNCT
admet-532	51	43	5	5	NUM
admet-532	51	44	)	)	PUNCT
admet-532	51	45	.	.	PUNCT
admet-532	52	1	brⅈ	brⅈ	PROPN
admet-532	52	2	=	=	SYM
admet-532	52	3	brⅈ(+	brⅈ(+	PROPN
admet-532	52	4	)	)	PUNCT
admet-532	53	1	+	+	NUM
admet-532	53	2	brⅈ(−	brⅈ(−	NOUN
admet-532	53	3	)	)	PUNCT
admet-532	53	4	(	(	PUNCT
admet-532	53	5	5	5	X
admet-532	53	6	)	)	PUNCT
admet-532	53	7	the	the	DET
admet-532	53	8	current	current	ADJ
admet-532	53	9	br	br	NOUN
admet-532	53	10	analysis	analysis	NOUN
admet-532	53	11	version	version	NOUN
admet-532	53	12	according	accord	VERB
admet-532	53	13	to	to	ADP
admet-532	53	14	its	its	PRON
admet-532	53	15	definition	definition	NOUN
admet-532	53	16	,	,	PUNCT
admet-532	53	17	br	br	ADP
admet-532	53	18	analysis	analysis	NOUN
admet-532	53	19	requires	require	VERB
admet-532	53	20	a	a	DET
admet-532	53	21	supervised	supervised	ADJ
admet-532	53	22	grouping	grouping	NOUN
admet-532	53	23	of	of	ADP
admet-532	53	24	ad	ad	X
admet-532	53	25	hoc	hoc	X
admet-532	53	26	selected	select	VERB
admet-532	53	27	descriptors	descriptor	NOUN
admet-532	53	28	.	.	PUNCT
admet-532	54	1	in	in	ADP
admet-532	54	2	the	the	DET
admet-532	54	3	current	current	ADJ
admet-532	54	4	version	version	NOUN
admet-532	54	5	we	we	PRON
admet-532	54	6	implement	implement	VERB
admet-532	54	7	82	82	NUM
admet-532	54	8	of	of	ADP
admet-532	54	9	the	the	DET
admet-532	54	10	original	original	ADJ
admet-532	54	11	128	128	NUM
admet-532	54	12	vs+	vs+	NOUN
admet-532	54	13	descriptors	descriptor	NOUN
admet-532	54	14	since	since	ADV
admet-532	54	15	,	,	PUNCT
admet-532	54	16	as	as	SCONJ
admet-532	54	17	discussed	discuss	VERB
admet-532	54	18	above	above	ADV
admet-532	54	19	,	,	PUNCT
admet-532	54	20	they	they	PRON
admet-532	54	21	define	define	VERB
admet-532	54	22	the	the	DET
admet-532	54	23	capacity	capacity	NOUN
admet-532	54	24	of	of	ADP
admet-532	54	25	the	the	DET
admet-532	54	26	drug	drug	NOUN
admet-532	54	27	to	to	PART
admet-532	54	28	participate	participate	VERB
admet-532	54	29	in	in	ADP
admet-532	54	30	intermolecular	intermolecular	ADJ
admet-532	54	31	interactions	interaction	NOUN
admet-532	54	32	.	.	PUNCT
admet-532	55	1	the	the	DET
admet-532	55	2	82	82	NUM
admet-532	55	3	descriptors	descriptor	NOUN
admet-532	55	4	are	be	AUX
admet-532	55	5	grouped	group	VERB
admet-532	55	6	in	in	ADP
admet-532	55	7	six	six	NUM
admet-532	55	8	blocks	block	NOUN
admet-532	55	9	(	(	PUNCT
admet-532	55	10	fig	fig	NOUN
admet-532	55	11	.	.	PUNCT
admet-532	56	1	1a	1a	NOUN
admet-532	56	2	)	)	PUNCT
admet-532	57	1	and	and	CCONJ
admet-532	57	2	each	each	DET
admet-532	57	3	block	block	NOUN
admet-532	57	4	contains	contain	VERB
admet-532	57	5	information	information	NOUN
admet-532	57	6	about	about	ADP
admet-532	57	7	the	the	DET
admet-532	57	8	propensity	propensity	NOUN
admet-532	57	9	of	of	ADP
admet-532	57	10	the	the	DET
admet-532	57	11	compound	compound	NOUN
admet-532	57	12	to	to	PART
admet-532	57	13	be	be	AUX
admet-532	57	14	involved	involve	VERB
admet-532	57	15	in	in	ADP
admet-532	57	16	a	a	DET
admet-532	57	17	specific	specific	ADJ
admet-532	57	18	intermolecular	intermolecular	ADJ
admet-532	57	19	interaction	interaction	NOUN
admet-532	57	20	,	,	PUNCT
admet-532	57	21	e.g.	e.g.	ADV
admet-532	57	22	the	the	DET
admet-532	57	23	oh2	oh2	NOUN
admet-532	57	24	block	block	NOUN
admet-532	57	25	reveals	reveal	VERB
admet-532	57	26	the	the	DET
admet-532	57	27	propensity	propensity	NOUN
admet-532	57	28	of	of	ADP
admet-532	57	29	the	the	DET
admet-532	57	30	molecule	molecule	NOUN
admet-532	57	31	to	to	PART
admet-532	57	32	interact	interact	VERB
admet-532	57	33	with	with	ADP
admet-532	57	34	water	water	NOUN
admet-532	57	35	.	.	PUNCT
admet-532	58	1	br	br	ADP
admet-532	58	2	analysis	analysis	NOUN
admet-532	58	3	workflow	workflow	NOUN
admet-532	58	4	is	be	AUX
admet-532	58	5	shown	show	VERB
admet-532	58	6	in	in	ADP
admet-532	58	7	fig	fig	NOUN
admet-532	58	8	.	.	PUNCT
admet-532	59	1	1b	1b	NUM
admet-532	59	2	.	.	PUNCT
admet-532	60	1	in	in	ADP
admet-532	60	2	the	the	DET
admet-532	60	3	first	first	ADJ
admet-532	60	4	step	step	NOUN
admet-532	60	5	,	,	PUNCT
admet-532	60	6	the	the	DET
admet-532	60	7	dataset	dataset	NOUN
admet-532	60	8	is	be	AUX
admet-532	60	9	set	set	VERB
admet-532	60	10	-	-	PUNCT
admet-532	60	11	up	up	NOUN
admet-532	60	12	.	.	PUNCT
admet-532	61	1	this	this	PRON
admet-532	61	2	consists	consist	VERB
admet-532	61	3	in	in	ADP
admet-532	61	4	collecting	collect	VERB
admet-532	61	5	physicochemical	physicochemical	ADJ
admet-532	61	6	data	datum	NOUN
admet-532	61	7	(	(	PUNCT
admet-532	61	8	e.g.	e.g.	ADV
admet-532	61	9	log	log	VERB
admet-532	61	10	doct	doct	PROPN
admet-532	61	11	)	)	PUNCT
admet-532	61	12	and	and	CCONJ
admet-532	61	13	obtaining	obtain	VERB
admet-532	61	14	the	the	DET
admet-532	61	15	corresponding	corresponding	ADJ
admet-532	61	16	compounds	compound	NOUN
admet-532	61	17	structures	structure	NOUN
admet-532	61	18	with	with	ADP
admet-532	61	19	standard	standard	ADJ
admet-532	61	20	procedures	procedure	NOUN
admet-532	61	21	.	.	PUNCT
admet-532	62	1	secondly	secondly	ADV
admet-532	62	2	,	,	PUNCT
admet-532	62	3	the	the	DET
admet-532	62	4	dataset	dataset	NOUN
admet-532	62	5	is	be	AUX
admet-532	62	6	submitted	submit	VERB
admet-532	62	7	to	to	PART
admet-532	62	8	vs+	vs+	VERB
admet-532	62	9	to	to	PART
admet-532	62	10	calculate	calculate	VERB
admet-532	62	11	the	the	DET
admet-532	62	12	82	82	NUM
admet-532	62	13	descriptors	descriptor	NOUN
admet-532	62	14	and	and	CCONJ
admet-532	62	15	to	to	PART
admet-532	62	16	obtain	obtain	VERB
admet-532	62	17	and	and	CCONJ
admet-532	62	18	validate	validate	VERB
admet-532	62	19	the	the	DET
admet-532	62	20	pls	pls	NOUN
admet-532	62	21	models	model	NOUN
admet-532	62	22	(	(	PUNCT
admet-532	62	23	internal	internal	ADJ
admet-532	62	24	and	and	CCONJ
admet-532	62	25	external	external	ADJ
admet-532	62	26	validations	validation	NOUN
admet-532	62	27	are	be	AUX
admet-532	62	28	always	always	ADV
admet-532	62	29	performed	perform	VERB
admet-532	62	30	as	as	SCONJ
admet-532	62	31	reported	report	VERB
admet-532	62	32	in	in	ADP
admet-532	62	33	the	the	DET
admet-532	62	34	literature	literature	NOUN
admet-532	62	35	[	[	X
admet-532	62	36	17	17	NUM
admet-532	62	37	]	]	PUNCT
admet-532	62	38	)	)	PUNCT
admet-532	62	39	.	.	PUNCT
admet-532	63	1	finally	finally	ADV
admet-532	63	2	,	,	PUNCT
admet-532	63	3	vips	vip	NOUN
admet-532	63	4	and	and	CCONJ
admet-532	63	5	coefficients	coefficient	NOUN
admet-532	63	6	values	value	NOUN
admet-532	63	7	are	be	AUX
admet-532	63	8	exported	export	VERB
admet-532	63	9	to	to	ADP
admet-532	63	10	excel	excel	VERB
admet-532	63	11	,	,	PUNCT
admet-532	63	12	elaborated	elaborate	VERB
admet-532	63	13	and	and	CCONJ
admet-532	63	14	submitted	submit	VERB
admet-532	63	15	to	to	ADP
admet-532	63	16	br	br	VERB
admet-532	63	17	analysis	analysis	NOUN
admet-532	63	18	which	which	PRON
admet-532	63	19	produces	produce	VERB
admet-532	63	20	an	an	DET
admet-532	63	21	easy	easy	ADJ
admet-532	63	22	-	-	PUNCT
admet-532	63	23	to	to	AUX
admet-532	63	24	-	-	PUNCT
admet-532	63	25	interpret	interpret	VERB
admet-532	63	26	graphical	graphical	ADJ
admet-532	63	27	output	output	NOUN
admet-532	63	28	.	.	PUNCT
admet-532	64	1	figure	figure	NOUN
admet-532	64	2	1	1	NUM
admet-532	64	3	.	.	PUNCT
admet-532	65	1	(	(	PUNCT
admet-532	65	2	a	a	X
admet-532	65	3	)	)	PUNCT
admet-532	65	4	selected	select	VERB
admet-532	65	5	volsurf+	volsurf+	PART
admet-532	65	6	descriptors	descriptor	NOUN
admet-532	65	7	organized	organize	VERB
admet-532	65	8	in	in	ADP
admet-532	65	9	the	the	DET
admet-532	65	10	six	six	NUM
admet-532	65	11	blocks	block	NOUN
admet-532	65	12	as	as	SCONJ
admet-532	65	13	implemented	implement	VERB
admet-532	65	14	in	in	ADP
admet-532	65	15	the	the	DET
admet-532	65	16	current	current	ADJ
admet-532	65	17	version	version	NOUN
admet-532	65	18	of	of	ADP
admet-532	65	19	br	br	NOUN
admet-532	65	20	analysis	analysis	NOUN
admet-532	65	21	(	(	PUNCT
admet-532	65	22	see	see	VERB
admet-532	65	23	text	text	NOUN
admet-532	65	24	for	for	ADP
admet-532	65	25	more	more	ADJ
admet-532	65	26	details	detail	NOUN
admet-532	65	27	)	)	PUNCT
admet-532	65	28	(	(	PUNCT
admet-532	65	29	b	b	X
admet-532	65	30	)	)	PUNCT
admet-532	65	31	br	br	ADP
admet-532	65	32	analysis	analysis	NOUN
admet-532	65	33	workflow	workflow	NOUN
admet-532	65	34	.	.	PUNCT
admet-532	66	1	our	our	PRON
admet-532	66	2	recent	recent	ADJ
admet-532	66	3	modelling	modelling	NOUN
admet-532	66	4	study	study	NOUN
admet-532	66	5	of	of	ADP
admet-532	66	6	immobilized	immobilized	ADJ
admet-532	66	7	artificial	artificial	ADJ
admet-532	66	8	membrane	membrane	NOUN
admet-532	66	9	(	(	PUNCT
admet-532	66	10	iam	iam	PROPN
admet-532	66	11	)	)	PUNCT
admet-532	66	12	chromatography	chromatography	NOUN
admet-532	66	13	[	[	X
admet-532	66	14	2	2	NUM
admet-532	66	15	]	]	PUNCT
admet-532	66	16	will	will	AUX
admet-532	66	17	be	be	AUX
admet-532	66	18	used	use	VERB
admet-532	66	19	to	to	PART
admet-532	66	20	illustrate	illustrate	VERB
admet-532	66	21	details	detail	NOUN
admet-532	66	22	of	of	ADP
admet-532	66	23	the	the	DET
admet-532	66	24	br	br	PROPN
admet-532	66	25	approach	approach	NOUN
admet-532	66	26	.	.	PUNCT
admet-532	67	1	in	in	ADP
admet-532	67	2	this	this	DET
admet-532	67	3	case	case	NOUN
admet-532	67	4	,	,	PUNCT
admet-532	67	5	br	br	ADP
admet-532	67	6	analysis	analysis	NOUN
admet-532	67	7	was	be	AUX
admet-532	67	8	applied	apply	VERB
admet-532	67	9	to	to	PART
admet-532	67	10	extract	extract	VERB
admet-532	67	11	the	the	DET
admet-532	67	12	relative	relative	ADJ
admet-532	67	13	contribution	contribution	NOUN
admet-532	67	14	of	of	ADP
admet-532	67	15	the	the	DET
admet-532	67	16	intermolecular	intermolecular	ADJ
admet-532	67	17	forces	force	NOUN
admet-532	67	18	governing	govern	VERB
admet-532	67	19	the	the	DET
admet-532	67	20	iam.pc.dd2	iam.pc.dd2	PROPN
admet-532	67	21	log	log	PROPN
admet-532	67	22	kw	kw	PROPN
admet-532	67	23	iam	iam	PROPN
admet-532	67	24	parameter	parameter	NOUN
admet-532	67	25	from	from	ADP
admet-532	67	26	pls	pls	PROPN
admet-532	67	27	models	model	NOUN
admet-532	67	28	.	.	PUNCT
admet-532	68	1	the	the	DET
admet-532	68	2	model	model	NOUN
admet-532	68	3	was	be	AUX
admet-532	68	4	built	build	VERB
admet-532	68	5	using	use	VERB
admet-532	68	6	the	the	DET
admet-532	68	7	whole	whole	ADJ
admet-532	68	8	dataset	dataset	NOUN
admet-532	68	9	of	of	ADP
admet-532	68	10	compounds	compound	NOUN
admet-532	68	11	used	use	VERB
admet-532	68	12	in	in	ADP
admet-532	68	13	[	[	X
admet-532	68	14	2	2	NUM
admet-532	68	15	]	]	NUM
admet-532	68	16	:	:	PUNCT
admet-532	68	17	(	(	PUNCT
admet-532	68	18	n	n	X
admet-532	68	19	°	°	NOUN
admet-532	68	20	(training	(traine	VERB
admet-532	68	21	)	)	PUNCT
admet-532	68	22	=	=	SYM
admet-532	68	23	189	189	NUM
admet-532	68	24	,	,	PUNCT
admet-532	68	25	n	n	CCONJ
admet-532	68	26	°	°	NOUN
admet-532	68	27	(test	(test	NUM
admet-532	68	28	)	)	PUNCT
admet-532	69	1	=	=	SYM
admet-532	69	2	64	64	NUM
admet-532	69	3	,	,	PUNCT
admet-532	69	4	r2	r2	NOUN
admet-532	69	5	=	=	PUNCT
admet-532	69	6	0.82	0.82	NUM
admet-532	69	7	,	,	PUNCT
admet-532	69	8	q2	q2	NOUN
admet-532	69	9	=	=	NOUN
admet-532	69	10	0.71	0.71	NUM
admet-532	69	11	)	)	PUNCT
admet-532	69	12	.	.	PUNCT
admet-532	70	1	in	in	ADP
admet-532	70	2	fig	fig	NOUN
admet-532	70	3	.	.	PUNCT
admet-532	71	1	2	2	NUM
admet-532	71	2	,	,	PUNCT
admet-532	71	3	the	the	DET
admet-532	71	4	vips	vip	NOUN
admet-532	71	5	are	be	AUX
admet-532	71	6	shown	show	VERB
admet-532	71	7	(	(	PUNCT
admet-532	71	8	fig	fig	NOUN
admet-532	71	9	.	.	PUNCT
admet-532	72	1	2a	2a	NUM
admet-532	72	2	)	)	PUNCT
admet-532	73	1	and	and	CCONJ
admet-532	73	2	the	the	DET
admet-532	73	3	coefficients	coefficient	NOUN
admet-532	73	4	plots	plot	NOUN
admet-532	73	5	(	(	PUNCT
admet-532	73	6	fig	fig	NOUN
admet-532	73	7	.	.	PUNCT
admet-532	74	1	2b	2b	NOUN
admet-532	74	2	)	)	PUNCT
admet-532	74	3	which	which	PRON
admet-532	74	4	should	should	AUX
admet-532	74	5	be	be	AUX
admet-532	74	6	combined	combine	VERB
admet-532	74	7	to	to	PART
admet-532	74	8	interpret	interpret	VERB
admet-532	74	9	the	the	DET
admet-532	74	10	pls	pls	PROPN
admet-532	74	11	model	model	NOUN
admet-532	74	12	.	.	PUNCT
admet-532	75	1	in	in	ADP
admet-532	75	2	fact	fact	NOUN
admet-532	75	3	,	,	PUNCT
admet-532	75	4	the	the	DET
admet-532	75	5	vips	vip	NOUN
admet-532	75	6	plot	plot	NOUN
admet-532	75	7	reveals	reveal	VERB
admet-532	75	8	the	the	DET
admet-532	75	9	relevance	relevance	NOUN
admet-532	75	10	of	of	ADP
admet-532	75	11	a	a	DET
admet-532	75	12	descriptor	descriptor	NOUN
admet-532	75	13	in	in	ADP
admet-532	75	14	the	the	DET
admet-532	75	15	model	model	NOUN
admet-532	75	16	,	,	PUNCT
admet-532	75	17	whereas	whereas	SCONJ
admet-532	75	18	the	the	DET
admet-532	75	19	coefficients	coefficient	NOUN
admet-532	75	20	plot	plot	NOUN
admet-532	75	21	establishes	establish	VERB
admet-532	75	22	if	if	SCONJ
admet-532	75	23	the	the	DET
admet-532	75	24	increase	increase	NOUN
admet-532	75	25	of	of	ADP
admet-532	75	26	variables	variable	NOUN
admet-532	75	27	corresponds	correspond	VERB
admet-532	75	28	to	to	ADP
admet-532	75	29	an	an	DET
admet-532	75	30	increase	increase	NOUN
admet-532	75	31	dataset	dataset	VERB
admet-532	75	32	set	set	NOUN
admet-532	75	33	-	-	PUNCT
admet-532	75	34	up	up	ADP
admet-532	75	35	data	datum	NOUN
admet-532	75	36	selection	selection	NOUN
admet-532	75	37	structure	structure	NOUN
admet-532	75	38	input	input	NOUN
admet-532	75	39	descriptors	descriptor	NOUN
admet-532	75	40	calculation	calculation	NOUN
admet-532	76	1	pls	pls	INTJ
admet-532	76	2	creation	creation	NOUN
admet-532	76	3	and	and	CCONJ
admet-532	76	4	validation	validation	NOUN
admet-532	76	5	of	of	ADP
admet-532	76	6	the	the	DET
admet-532	76	7	model	model	NOUN
admet-532	76	8	vips	vip	NOUN
admet-532	76	9	and	and	CCONJ
admet-532	76	10	coefficients	coefficient	NOUN
admet-532	76	11	calculation	calculation	NOUN
admet-532	76	12	br	br	ADP
admet-532	76	13	analysis	analysis	NOUN
admet-532	76	14	grouping	grouping	NOUN
admet-532	76	15	of	of	ADP
admet-532	76	16	descriptors	descriptor	NOUN
admet-532	76	17	in	in	ADP
admet-532	76	18	blocks	block	NOUN
admet-532	76	19	elaboration	elaboration	NOUN
admet-532	76	20	of	of	ADP
admet-532	76	21	vips	vip	NOUN
admet-532	76	22	and	and	CCONJ
admet-532	76	23	coefficients	coefficient	NOUN
admet-532	76	24	-3.0	-3.0	PUNCT
admet-532	76	25	-2.0	-2.0	X
admet-532	76	26	-1.0	-1.0	PROPN
admet-532	76	27	0.0	0.0	NUM
admet-532	76	28	1.0	1.0	NUM
admet-532	76	29	2.0	2.0	NUM
admet-532	76	30	3.0	3.0	NUM
admet-532	76	31	size	size	NOUN
admet-532	76	32	oh2	oh2	NOUN
admet-532	76	33	dry	dry	ADJ
admet-532	76	34	o	o	NOUN
admet-532	76	35	n1	n1	ADJ
admet-532	76	36	others	other	NOUN
admet-532	76	37	graphical	graphical	ADJ
admet-532	76	38	output	output	NOUN
admet-532	76	39	•	•	NOUN
admet-532	76	40	v	v	NOUN
admet-532	76	41	,	,	PUNCT
admet-532	76	42	s	s	NOUN
admet-532	76	43	,	,	PUNCT
admet-532	76	44	r	r	NOUN
admet-532	76	45	,	,	PUNCT
admet-532	76	46	g	g	NOUN
admet-532	76	47	size	size	NOUN
admet-532	76	48	(	(	PUNCT
admet-532	76	49	4	4	NUM
admet-532	76	50	)	)	PUNCT
admet-532	76	51	•	•	NOUN
admet-532	76	52	w1	w1	NOUN
admet-532	76	53	-	-	PUNCT
admet-532	76	54	w8	w8	PROPN
admet-532	76	55	,	,	PUNCT
admet-532	76	56	iw1	iw1	NOUN
admet-532	76	57	-	-	PUNCT
admet-532	76	58	iw4	iw4	PROPN
admet-532	76	59	,	,	PUNCT
admet-532	76	60	cw1	cw1	NOUN
admet-532	76	61	-	-	PUNCT
admet-532	76	62	cw8	cw8	NOUN
admet-532	76	63	;	;	PUNCT
admet-532	76	64	psa	psa	NOUN
admet-532	76	65	,	,	PUNCT
admet-532	76	66	psar	psar	VERB
admet-532	76	67	oh2	oh2	PROPN
admet-532	77	1	(	(	PUNCT
admet-532	77	2	22	22	NUM
admet-532	77	3	)	)	PUNCT
admet-532	77	4	•	•	ADV
admet-532	77	5	d1	d1	NOUN
admet-532	77	6	-	-	PUNCT
admet-532	77	7	d8	d8	ADJ
admet-532	77	8	,	,	PUNCT
admet-532	77	9	dd1	dd1	NOUN
admet-532	77	10	-	-	PUNCT
admet-532	77	11	dd8	dd8	ADJ
admet-532	77	12	,	,	PUNCT
admet-532	77	13	id1	id1	PROPN
admet-532	77	14	-	-	PUNCT
admet-532	77	15	id4	id4	PROPN
admet-532	77	16	,	,	PUNCT
admet-532	77	17	cd1	cd1	PROPN
admet-532	77	18	-	-	PUNCT
admet-532	77	19	cd8	cd8	PROPN
admet-532	77	20	,	,	PUNCT
admet-532	77	21	hsa	hsa	PROPN
admet-532	77	22	,	,	PUNCT
admet-532	77	23	phsar	phsar	VERB
admet-532	77	24	dry	dry	ADJ
admet-532	77	25	(	(	PUNCT
admet-532	77	26	30	30	NUM
admet-532	77	27	)	)	PUNCT
admet-532	77	28	•	•	NOUN
admet-532	77	29	wo1	wo1	NOUN
admet-532	77	30	-	-	PUNCT
admet-532	77	31	wo6	wo6	ADJ
admet-532	77	32	o	o	NOUN
admet-532	77	33	(	(	PUNCT
admet-532	77	34	6	6	NUM
admet-532	77	35	)	)	PUNCT
admet-532	77	36	•	•	NUM
admet-532	77	37	wn1	wn1	NOUN
admet-532	77	38	-	-	PUNCT
admet-532	77	39	wn6	wn6	NOUN
admet-532	77	40	n1	n1	NOUN
admet-532	77	41	(	(	PUNCT
admet-532	77	42	6	6	NUM
admet-532	77	43	)	)	PUNCT
admet-532	77	44	•	•	NUM
admet-532	77	45	hl1	hl1	PROPN
admet-532	77	46	,	,	PUNCT
admet-532	77	47	hl2	hl2	PROPN
admet-532	77	48	,	,	PUNCT
admet-532	77	49	a	a	PRON
admet-532	77	50	,	,	PUNCT
admet-532	77	51	cp	cp	NOUN
admet-532	77	52	,	,	PUNCT
admet-532	77	53	drdrdr	drdrdr	ADJ
admet-532	77	54	,	,	PUNCT
admet-532	77	55	drdrac	drdrac	ADJ
admet-532	77	56	,	,	PUNCT
admet-532	77	57	drdrdo	drdrdo	PROPN
admet-532	77	58	,	,	PUNCT
admet-532	77	59	dracac	dracac	NOUN
admet-532	77	60	,	,	PUNCT
admet-532	77	61	dracdo	dracdo	PROPN
admet-532	77	62	,	,	PUNCT
admet-532	77	63	drdodo	drdodo	NOUN
admet-532	77	64	,	,	PUNCT
admet-532	77	65	acacac	acacac	NOUN
admet-532	77	66	,	,	PUNCT
admet-532	77	67	acacdo	acacdo	NOUN
admet-532	77	68	,	,	PUNCT
admet-532	77	69	acdodo	acdodo	NOUN
admet-532	77	70	,	,	PUNCT
admet-532	77	71	dododo	dododo	VERB
admet-532	77	72	others	other	NOUN
admet-532	77	73	(	(	PUNCT
admet-532	77	74	14	14	NUM
admet-532	77	75	)	)	PUNCT
admet-532	77	76	a	a	DET
admet-532	77	77	)	)	PUNCT
admet-532	77	78	b	b	NOUN
admet-532	77	79	)	)	PUNCT
admet-532	77	80	admet	admet	PROPN
admet-532	77	81	&	&	CCONJ
admet-532	77	82	dmpk	dmpk	PROPN
admet-532	77	83	6(3	6(3	PROPN
admet-532	77	84	)	)	PUNCT
admet-532	77	85	(	(	PUNCT
admet-532	77	86	2018	2018	NUM
admet-532	77	87	)	)	PUNCT
admet-532	77	88	215	215	NUM
admet-532	77	89	-	-	SYM
admet-532	77	90	224	224	NUM
admet-532	77	91	block	block	NOUN
admet-532	77	92	relevance	relevance	NOUN
admet-532	77	93	analysis	analysis	NOUN
admet-532	77	94	in	in	ADP
admet-532	77	95	property	property	NOUN
admet-532	77	96	-	-	PUNCT
admet-532	77	97	based	base	VERB
admet-532	77	98	drug	drug	NOUN
admet-532	77	99	design	design	NOUN
admet-532	77	100	doi	doi	NOUN
admet-532	77	101	:	:	PUNCT
admet-532	77	102	10.5599	10.5599	NUM
admet-532	77	103	/	/	SYM
admet-532	77	104	admet.532	admet.532	NUM
admet-532	77	105	219	219	NUM
admet-532	77	106	(	(	PUNCT
admet-532	77	107	positive	positive	ADJ
admet-532	77	108	weights	weight	NOUN
admet-532	77	109	)	)	PUNCT
admet-532	77	110	or	or	CCONJ
admet-532	77	111	a	a	DET
admet-532	77	112	decrease	decrease	NOUN
admet-532	77	113	(	(	PUNCT
admet-532	77	114	negative	negative	ADJ
admet-532	77	115	weights	weight	NOUN
admet-532	77	116	)	)	PUNCT
admet-532	77	117	of	of	ADP
admet-532	77	118	the	the	DET
admet-532	77	119	property	property	NOUN
admet-532	77	120	.	.	PUNCT
admet-532	78	1	using	use	VERB
admet-532	78	2	fig	fig	NOUN
admet-532	78	3	.	.	PUNCT
admet-532	79	1	2a	2a	NUM
admet-532	79	2	and	and	CCONJ
admet-532	79	3	fig	fig	NOUN
admet-532	79	4	.	.	PUNCT
admet-532	80	1	2b	2b	NUM
admet-532	80	2	to	to	PART
admet-532	80	3	interpret	interpret	VERB
admet-532	80	4	the	the	DET
admet-532	80	5	pls	pls	NOUN
admet-532	80	6	model	model	NOUN
admet-532	80	7	is	be	AUX
admet-532	80	8	far	far	ADV
admet-532	80	9	from	from	ADP
admet-532	80	10	being	be	AUX
admet-532	80	11	user	user	NOUN
admet-532	80	12	-	-	PUNCT
admet-532	80	13	friendly	friendly	ADJ
admet-532	80	14	.	.	PUNCT
admet-532	81	1	figure	figure	NOUN
admet-532	81	2	2	2	NUM
admet-532	81	3	.	.	PUNCT
admet-532	82	1	log	log	PROPN
admet-532	82	2	kw	kw	PROPN
admet-532	82	3	iam	iam	PROPN
admet-532	82	4	model	model	NOUN
admet-532	83	1	[	[	X
admet-532	83	2	2	2	NUM
admet-532	83	3	]	]	PUNCT
admet-532	83	4	:	:	PUNCT
admet-532	83	5	(	(	PUNCT
admet-532	83	6	a	a	X
admet-532	83	7	)	)	PUNCT
admet-532	83	8	the	the	DET
admet-532	83	9	pls	pls	PROPN
admet-532	83	10	vip	vip	PROPN
admet-532	83	11	plot	plot	NOUN
admet-532	83	12	(	(	PUNCT
admet-532	83	13	standard	standard	ADJ
admet-532	83	14	output	output	NOUN
admet-532	83	15	)	)	PUNCT
admet-532	83	16	,	,	PUNCT
admet-532	83	17	(	(	PUNCT
admet-532	83	18	b	b	X
admet-532	83	19	)	)	PUNCT
admet-532	83	20	the	the	DET
admet-532	83	21	pls	pls	PROPN
admet-532	83	22	coefficients	coefficient	VERB
admet-532	83	23	plot	plot	NOUN
admet-532	83	24	(	(	PUNCT
admet-532	83	25	standard	standard	ADJ
admet-532	83	26	output	output	NOUN
admet-532	83	27	)	)	PUNCT
admet-532	83	28	,	,	PUNCT
admet-532	83	29	(	(	PUNCT
admet-532	83	30	c	c	X
admet-532	83	31	)	)	PUNCT
admet-532	83	32	the	the	DET
admet-532	83	33	pls	pls	PROPN
admet-532	83	34	vip	vip	PROPN
admet-532	83	35	plot	plot	NOUN
admet-532	83	36	(	(	PUNCT
admet-532	83	37	output	output	NOUN
admet-532	83	38	coloured	colour	VERB
admet-532	83	39	by	by	ADP
admet-532	83	40	blocks	block	NOUN
admet-532	83	41	)	)	PUNCT
admet-532	83	42	,	,	PUNCT
admet-532	83	43	the	the	DET
admet-532	83	44	lines	line	NOUN
admet-532	83	45	correspond	correspond	VERB
admet-532	83	46	to	to	ADP
admet-532	83	47	three	three	NUM
admet-532	83	48	reasonable	reasonable	ADJ
admet-532	83	49	threshold	threshold	NOUN
admet-532	83	50	values	value	NOUN
admet-532	83	51	(	(	PUNCT
admet-532	83	52	1.21	1.21	NUM
admet-532	83	53	,	,	PUNCT
admet-532	83	54	1.00	1.00	NUM
admet-532	83	55	,	,	PUNCT
admet-532	83	56	0.83	0.83	NUM
admet-532	83	57	)	)	PUNCT
admet-532	83	58	,	,	PUNCT
admet-532	83	59	(	(	PUNCT
admet-532	83	60	d	d	X
admet-532	83	61	)	)	PUNCT
admet-532	83	62	the	the	DET
admet-532	83	63	pls	pls	PROPN
admet-532	83	64	coefficients	coefficient	VERB
admet-532	83	65	plot	plot	NOUN
admet-532	83	66	(	(	PUNCT
admet-532	83	67	output	output	NOUN
admet-532	83	68	coloured	colour	VERB
admet-532	83	69	by	by	ADP
admet-532	83	70	blocks	block	NOUN
admet-532	83	71	)	)	PUNCT
admet-532	83	72	(	(	PUNCT
admet-532	83	73	e	e	X
admet-532	83	74	)	)	PUNCT
admet-532	83	75	br	br	NOUN
admet-532	83	76	graphical	graphical	ADJ
admet-532	83	77	output	output	NOUN
admet-532	83	78	:	:	PUNCT
admet-532	83	79	the	the	DET
admet-532	83	80	size	size	NOUN
admet-532	83	81	block	block	NOUN
admet-532	83	82	(	(	PUNCT
admet-532	83	83	green	green	ADJ
admet-532	83	84	)	)	PUNCT
admet-532	83	85	is	be	AUX
admet-532	83	86	related	relate	VERB
admet-532	83	87	to	to	ADP
admet-532	83	88	the	the	DET
admet-532	83	89	influence	influence	NOUN
admet-532	83	90	of	of	ADP
admet-532	83	91	size	size	NOUN
admet-532	83	92	and	and	CCONJ
admet-532	83	93	shape	shape	NOUN
admet-532	83	94	;	;	PUNCT
admet-532	83	95	the	the	DET
admet-532	83	96	water	water	NOUN
admet-532	83	97	block	block	NOUN
admet-532	83	98	(	(	PUNCT
admet-532	83	99	cyan	cyan	PROPN
admet-532	83	100	)	)	PUNCT
admet-532	83	101	reflects	reflect	VERB
admet-532	83	102	the	the	DET
admet-532	83	103	role	role	NOUN
admet-532	83	104	of	of	ADP
admet-532	83	105	the	the	DET
admet-532	83	106	hydrophilicity	hydrophilicity	NOUN
admet-532	83	107	whereas	whereas	SCONJ
admet-532	83	108	the	the	DET
admet-532	83	109	dry	dry	ADJ
admet-532	83	110	block	block	NOUN
admet-532	83	111	(	(	PUNCT
admet-532	83	112	yellow	yellow	ADJ
admet-532	83	113	)	)	PUNCT
admet-532	83	114	the	the	DET
admet-532	83	115	role	role	NOUN
admet-532	83	116	of	of	ADP
admet-532	83	117	hydrophobicity	hydrophobicity	NOUN
admet-532	83	118	;	;	PUNCT
admet-532	83	119	red	red	ADJ
admet-532	83	120	and	and	CCONJ
admet-532	83	121	blue	blue	ADJ
admet-532	83	122	blocks	block	NOUN
admet-532	83	123	are	be	AUX
admet-532	83	124	related	relate	VERB
admet-532	83	125	to	to	ADP
admet-532	83	126	the	the	DET
admet-532	83	127	solutes	solute	NOUN
admet-532	83	128	’	'	PUNCT
admet-532	83	129	hbd	hbd	NOUN
admet-532	83	130	and	and	CCONJ
admet-532	83	131	hba	hba	NOUN
admet-532	83	132	properties	property	NOUN
admet-532	83	133	,	,	PUNCT
admet-532	83	134	respectively	respectively	ADV
admet-532	83	135	;	;	PUNCT
admet-532	83	136	and	and	CCONJ
admet-532	83	137	,	,	PUNCT
admet-532	83	138	finally	finally	ADV
admet-532	83	139	,	,	PUNCT
admet-532	83	140	the	the	DET
admet-532	83	141	others	other	NOUN
admet-532	83	142	block	block	NOUN
admet-532	83	143	(	(	PUNCT
admet-532	83	144	grey	grey	PROPN
admet-532	83	145	)	)	PUNCT
admet-532	83	146	is	be	AUX
admet-532	83	147	related	relate	VERB
admet-532	83	148	to	to	ADP
admet-532	83	149	the	the	DET
admet-532	83	150	unbalance	unbalance	NOUN
admet-532	83	151	of	of	ADP
admet-532	83	152	hydrophilic	hydrophilic	ADJ
admet-532	83	153	and	and	CCONJ
admet-532	83	154	hydrophobic	hydrophobic	NOUN
admet-532	83	155	regions	region	NOUN
admet-532	83	156	.	.	PUNCT
admet-532	84	1	the	the	DET
admet-532	84	2	two	two	NUM
admet-532	84	3	plots	plot	NOUN
admet-532	84	4	,	,	PUNCT
admet-532	84	5	fig	fig	NOUN
admet-532	84	6	.	.	PUNCT
admet-532	85	1	2c	2c	NOUN
admet-532	85	2	(	(	PUNCT
admet-532	85	3	vips	vip	NOUN
admet-532	85	4	)	)	PUNCT
admet-532	85	5	and	and	CCONJ
admet-532	85	6	2d	2d	NUM
admet-532	85	7	(	(	PUNCT
admet-532	85	8	coefficients	coefficient	NOUN
admet-532	85	9	)	)	PUNCT
admet-532	85	10	have	have	AUX
admet-532	85	11	been	be	AUX
admet-532	85	12	represented	represent	VERB
admet-532	85	13	by	by	ADP
admet-532	85	14	using	use	VERB
admet-532	85	15	the	the	DET
admet-532	85	16	colour	colour	NOUN
admet-532	85	17	codes	code	NOUN
admet-532	85	18	of	of	ADP
admet-532	85	19	br	br	NOUN
admet-532	85	20	blocks	block	NOUN
admet-532	85	21	.	.	PUNCT
admet-532	86	1	fig	fig	NOUN
admet-532	86	2	.	.	PUNCT
admet-532	87	1	2c	2c	NOUN
admet-532	87	2	and	and	CCONJ
admet-532	87	3	2d	2d	NOUN
admet-532	87	4	are	be	AUX
admet-532	87	5	clearer	clear	ADJ
admet-532	87	6	than	than	ADP
admet-532	87	7	fig	fig	NOUN
admet-532	87	8	.	.	PUNCT
admet-532	88	1	2a	2a	NUM
admet-532	88	2	and	and	CCONJ
admet-532	88	3	2b	2b	NUM
admet-532	88	4	but	but	CCONJ
admet-532	88	5	the	the	DET
admet-532	88	6	identification	identification	NOUN
admet-532	88	7	of	of	ADP
admet-532	88	8	the	the	DET
admet-532	88	9	most	most	ADV
admet-532	88	10	relevant	relevant	ADJ
admet-532	88	11	vips	vip	NOUN
admet-532	88	12	remains	remain	VERB
admet-532	88	13	a	a	DET
admet-532	88	14	crucial	crucial	ADJ
admet-532	88	15	step	step	NOUN
admet-532	88	16	for	for	ADP
admet-532	88	17	pls	pls	NOUN
admet-532	88	18	interpretation	interpretation	NOUN
admet-532	88	19	since	since	SCONJ
admet-532	88	20	several	several	ADJ
admet-532	88	21	threshold	threshold	NOUN
admet-532	88	22	criteria	criterion	NOUN
admet-532	88	23	have	have	AUX
admet-532	88	24	been	be	AUX
admet-532	88	25	reported	report	VERB
admet-532	88	26	in	in	ADP
admet-532	88	27	the	the	DET
admet-532	88	28	literature	literature	NOUN
admet-532	88	29	[	[	X
admet-532	88	30	18	18	NUM
admet-532	88	31	]	]	PUNCT
admet-532	88	32	.	.	PUNCT
admet-532	89	1	a	a	DET
admet-532	89	2	low	low	ADJ
admet-532	89	3	threshold	threshold	NOUN
admet-532	89	4	could	could	AUX
admet-532	89	5	result	result	VERB
admet-532	89	6	in	in	ADP
admet-532	89	7	the	the	DET
admet-532	89	8	selection	selection	NOUN
admet-532	89	9	of	of	ADP
admet-532	89	10	too	too	ADV
admet-532	89	11	many	many	ADJ
admet-532	89	12	descriptors	descriptor	NOUN
admet-532	89	13	and	and	CCONJ
admet-532	89	14	in	in	ADP
admet-532	89	15	a	a	DET
admet-532	89	16	problematic	problematic	ADJ
admet-532	89	17	interpretation	interpretation	NOUN
admet-532	89	18	,	,	PUNCT
admet-532	89	19	whereas	whereas	SCONJ
admet-532	89	20	a	a	DET
admet-532	89	21	high	high	ADJ
admet-532	89	22	threshold	threshold	NOUN
admet-532	89	23	could	could	AUX
admet-532	89	24	result	result	VERB
admet-532	89	25	in	in	ADP
admet-532	89	26	the	the	DET
admet-532	89	27	loss	loss	NOUN
admet-532	89	28	of	of	ADP
admet-532	89	29	important	important	ADJ
admet-532	89	30	descriptors	descriptor	NOUN
admet-532	89	31	and	and	CCONJ
admet-532	89	32	in	in	ADP
admet-532	89	33	an	an	DET
admet-532	89	34	inaccurate	inaccurate	ADJ
admet-532	89	35	interpretation	interpretation	NOUN
admet-532	89	36	.	.	PUNCT
admet-532	90	1	for	for	ADP
admet-532	90	2	instance	instance	NOUN
admet-532	90	3	,	,	PUNCT
admet-532	90	4	in	in	ADP
admet-532	90	5	fig	fig	NOUN
admet-532	90	6	.	.	PUNCT
admet-532	91	1	2c	2c	NOUN
admet-532	91	2	three	three	NUM
admet-532	91	3	reasonable	reasonable	ADJ
admet-532	91	4	threshold	threshold	NOUN
admet-532	91	5	values	value	NOUN
admet-532	91	6	(	(	PUNCT
admet-532	91	7	1.21	1.21	NUM
admet-532	91	8	,	,	PUNCT
admet-532	91	9	1.00	1.00	NUM
admet-532	91	10	and	and	CCONJ
admet-532	91	11	0.83	0.83	NUM
admet-532	91	12	)	)	PUNCT
admet-532	91	13	are	be	AUX
admet-532	91	14	reported	report	VERB
admet-532	91	15	which	which	PRON
admet-532	91	16	allows	allow	VERB
admet-532	91	17	the	the	DET
admet-532	91	18	identification	identification	NOUN
admet-532	91	19	of	of	ADP
admet-532	91	20	18	18	NUM
admet-532	91	21	,	,	PUNCT
admet-532	91	22	36	36	NUM
admet-532	91	23	and	and	CCONJ
admet-532	91	24	43	43	NUM
admet-532	91	25	descriptors	descriptor	NOUN
admet-532	91	26	,	,	PUNCT
admet-532	91	27	respectively	respectively	ADV
admet-532	91	28	.	.	PUNCT
admet-532	92	1	if	if	SCONJ
admet-532	92	2	the	the	DET
admet-532	92	3	18	18	NUM
admet-532	92	4	descriptors	descriptor	NOUN
admet-532	92	5	obtained	obtain	VERB
admet-532	92	6	with	with	ADP
admet-532	92	7	the	the	DET
admet-532	92	8	largest	large	ADJ
admet-532	92	9	threshold	threshold	NOUN
admet-532	92	10	value	value	NOUN
admet-532	92	11	are	be	AUX
admet-532	92	12	considered	consider	VERB
admet-532	92	13	,	,	PUNCT
admet-532	92	14	it	it	PRON
admet-532	92	15	can	can	AUX
admet-532	92	16	be	be	AUX
admet-532	92	17	verified	verify	VERB
admet-532	92	18	that	that	SCONJ
admet-532	92	19	most	most	ADJ
admet-532	92	20	(	(	PUNCT
admet-532	92	21	but	but	CCONJ
admet-532	92	22	not	not	PART
admet-532	92	23	all	all	PRON
admet-532	92	24	)	)	PUNCT
admet-532	92	25	of	of	ADP
admet-532	92	26	them	they	PRON
admet-532	92	27	belong	belong	VERB
admet-532	92	28	to	to	ADP
admet-532	92	29	the	the	DET
admet-532	92	30	size	size	NOUN
admet-532	92	31	and	and	CCONJ
admet-532	92	32	dry	dry	ADJ
admet-532	92	33	blocks	block	NOUN
admet-532	92	34	.	.	PUNCT
admet-532	93	1	size	size	NOUN
admet-532	93	2	descriptors	descriptor	NOUN
admet-532	93	3	coefficients	coefficient	NOUN
admet-532	93	4	are	be	AUX
admet-532	93	5	all	all	ADV
admet-532	93	6	positive	positive	ADJ
admet-532	93	7	(	(	PUNCT
admet-532	93	8	fig	fig	NOUN
admet-532	93	9	.	.	PUNCT
admet-532	94	1	2d	2d	NOUN
admet-532	94	2	)	)	PUNCT
admet-532	94	3	,	,	PUNCT
admet-532	94	4	thus	thus	ADV
admet-532	94	5	the	the	DET
admet-532	94	6	larger	large	ADJ
admet-532	94	7	the	the	DET
admet-532	94	8	compound	compound	NOUN
admet-532	94	9	,	,	PUNCT
admet-532	94	10	the	the	DET
admet-532	94	11	larger	large	ADJ
admet-532	94	12	log	log	NOUN
admet-532	94	13	kw	kw	PROPN
admet-532	94	14	iam	iam	PROPN
admet-532	94	15	.	.	PUNCT
admet-532	95	1	the	the	DET
admet-532	95	2	behavior	behavior	NOUN
admet-532	95	3	of	of	ADP
admet-532	95	4	hydrophobic	hydrophobic	NOUN
admet-532	95	5	descriptors	descriptor	NOUN
admet-532	95	6	is	be	AUX
admet-532	95	7	less	less	ADV
admet-532	95	8	clear	clear	ADJ
admet-532	95	9	since	since	SCONJ
admet-532	95	10	strong	strong	ADJ
admet-532	95	11	hydrophobic	hydrophobic	NOUN
admet-532	95	12	interactions	interaction	NOUN
admet-532	95	13	(	(	PUNCT
admet-532	95	14	d5	d5	NOUN
admet-532	95	15	-	-	PUNCT
admet-532	95	16	d8	d8	NOUN
admet-532	95	17	)	)	PUNCT
admet-532	95	18	increase	increase	NOUN
admet-532	95	19	log	log	NOUN
admet-532	95	20	kw	kw	PROPN
admet-532	95	21	iam	iam	PROPN
admet-532	95	22	values	value	NOUN
admet-532	95	23	,	,	PUNCT
admet-532	95	24	whereas	whereas	SCONJ
admet-532	95	25	weak	weak	ADJ
admet-532	95	26	interactions	interaction	NOUN
admet-532	95	27	(	(	PUNCT
admet-532	95	28	d1	d1	NOUN
admet-532	95	29	-	-	PUNCT
admet-532	95	30	d4	d4	NOUN
admet-532	95	31	)	)	PUNCT
admet-532	95	32	are	be	AUX
admet-532	95	33	not	not	PART
admet-532	95	34	favourable	favourable	ADJ
admet-532	95	35	(	(	PUNCT
admet-532	95	36	fig	fig	NOUN
admet-532	95	37	.	.	PUNCT
admet-532	96	1	2d	2d	NOUN
admet-532	96	2	)	)	PUNCT
admet-532	96	3	.	.	PUNCT
admet-532	97	1	overall	overall	ADV
admet-532	97	2	,	,	PUNCT
admet-532	97	3	the	the	DET
admet-532	97	4	vips	vip	NOUN
admet-532	97	5	and	and	CCONJ
admet-532	97	6	coefficients	coefficient	NOUN
admet-532	97	7	plot	plot	NOUN
admet-532	97	8	together	together	ADV
admet-532	97	9	do	do	AUX
admet-532	97	10	not	not	PART
admet-532	97	11	allow	allow	VERB
admet-532	97	12	a	a	DET
admet-532	97	13	clear	clear	ADJ
admet-532	97	14	and	and	CCONJ
admet-532	97	15	unique	unique	ADJ
admet-532	97	16	pls	pls	NOUN
admet-532	97	17	model	model	NOUN
admet-532	97	18	interpretation	interpretation	NOUN
admet-532	97	19	.	.	PUNCT
admet-532	98	1	br	br	ADP
admet-532	98	2	analysis	analysis	NOUN
admet-532	98	3	graphical	graphical	ADJ
admet-532	98	4	output	output	NOUN
admet-532	98	5	for	for	ADP
admet-532	98	6	the	the	DET
admet-532	98	7	same	same	ADJ
admet-532	98	8	model	model	NOUN
admet-532	98	9	is	be	AUX
admet-532	98	10	shown	show	VERB
admet-532	98	11	in	in	ADP
admet-532	98	12	fig	fig	NOUN
admet-532	98	13	.	.	PUNCT
admet-532	99	1	2e	2e	PROPN
admet-532	99	2	.	.	PUNCT
admet-532	100	1	for	for	ADP
admet-532	100	2	a	a	DET
admet-532	100	3	correct	correct	ADJ
admet-532	100	4	interpretation	interpretation	NOUN
admet-532	100	5	of	of	ADP
admet-532	100	6	the	the	DET
admet-532	100	7	br	br	NOUN
admet-532	100	8	analysis	analysis	NOUN
admet-532	100	9	graphical	graphical	ADJ
admet-532	100	10	results	result	NOUN
admet-532	100	11	the	the	DET
admet-532	100	12	following	follow	VERB
admet-532	100	13	rules	rule	NOUN
admet-532	100	14	are	be	AUX
admet-532	100	15	applied	apply	VERB
admet-532	100	16	:	:	PUNCT
admet-532	100	17	a	a	X
admet-532	100	18	)	)	PUNCT
admet-532	100	19	blocks	block	NOUN
admet-532	100	20	with	with	ADP
admet-532	100	21	positive	positive	ADJ
admet-532	100	22	weighting	weighting	NOUN
admet-532	100	23	(	(	PUNCT
admet-532	100	24	e.g.	e.g.	ADV
admet-532	100	25	,	,	PUNCT
admet-532	100	26	the	the	DET
admet-532	100	27	green	green	ADJ
admet-532	100	28	block	block	NOUN
admet-532	100	29	)	)	PUNCT
admet-532	100	30	show	show	VERB
admet-532	100	31	how	how	SCONJ
admet-532	100	32	much	much	ADJ
admet-532	100	33	the	the	DET
admet-532	100	34	property	property	NOUN
admet-532	100	35	increases	increase	NOUN
admet-532	100	36	log	log	VERB
admet-532	100	37	kw	kw	PROPN
admet-532	100	38	iam	iam	PROPN
admet-532	100	39	,	,	PUNCT
admet-532	100	40	whereas	whereas	SCONJ
admet-532	100	41	those	those	PRON
admet-532	100	42	with	with	ADP
admet-532	100	43	negative	negative	ADJ
admet-532	100	44	weighting	weighting	NOUN
admet-532	100	45	indicate	indicate	VERB
admet-532	100	46	how	how	SCONJ
admet-532	100	47	much	much	ADJ
admet-532	100	48	the	the	DET
admet-532	100	49	property	property	NOUN
admet-532	100	50	decreases	decrease	VERB
admet-532	100	51	log	log	VERB
admet-532	100	52	kw	kw	PROPN
admet-532	100	53	iam	iam	PROPN
admet-532	100	54	;	;	PUNCT
admet-532	100	55	b	b	X
admet-532	100	56	)	)	PUNCT
admet-532	100	57	according	accord	VERB
admet-532	100	58	to	to	ADP
admet-532	100	59	our	our	PRON
admet-532	100	60	experience	experience	NOUN
admet-532	100	61	,	,	PUNCT
admet-532	100	62	block	block	NOUN
admet-532	100	63	significance	significance	NOUN
admet-532	100	64	was	be	AUX
admet-532	100	65	ermondi	ermondi	NOUN
admet-532	100	66	and	and	CCONJ
admet-532	100	67	caron	caron	PROPN
admet-532	100	68	admet	admet	PROPN
admet-532	100	69	&	&	CCONJ
admet-532	100	70	dmpk	dmpk	PROPN
admet-532	100	71	6(3	6(3	PROPN
admet-532	100	72	)	)	PUNCT
admet-532	100	73	(	(	PUNCT
admet-532	100	74	2018	2018	NUM
admet-532	100	75	)	)	PUNCT
admet-532	100	76	215	215	NUM
admet-532	100	77	-	-	SYM
admet-532	100	78	224	224	NUM
admet-532	100	79	220	220	NUM
admet-532	100	80	set	set	VERB
admet-532	100	81	at	at	ADP
admet-532	100	82	0.2	0.2	NUM
admet-532	100	83	and	and	CCONJ
admet-532	100	84	thus	thus	ADV
admet-532	100	85	the	the	DET
admet-532	100	86	blue	blue	ADJ
admet-532	100	87	and	and	CCONJ
admet-532	100	88	red	red	ADJ
admet-532	100	89	blocks	block	NOUN
admet-532	100	90	in	in	ADP
admet-532	100	91	fig	fig	NOUN
admet-532	100	92	.	.	PUNCT
admet-532	101	1	2e	2e	PROPN
admet-532	101	2	are	be	AUX
admet-532	101	3	not	not	PART
admet-532	101	4	significant	significant	ADJ
admet-532	101	5	and	and	CCONJ
admet-532	101	6	c	c	NOUN
admet-532	101	7	)	)	PUNCT
admet-532	101	8	a	a	DET
admet-532	101	9	block	block	NOUN
admet-532	101	10	with	with	ADP
admet-532	101	11	comparable	comparable	ADJ
admet-532	101	12	positive	positive	ADJ
admet-532	101	13	and	and	CCONJ
admet-532	101	14	negative	negative	ADJ
admet-532	101	15	contributions	contribution	NOUN
admet-532	101	16	(	(	PUNCT
admet-532	101	17	e.g.	e.g.	ADV
admet-532	101	18	oh2	oh2	NOUN
admet-532	101	19	and	and	CCONJ
admet-532	101	20	others	other	NOUN
admet-532	101	21	in	in	ADP
admet-532	101	22	fig	fig	NOUN
admet-532	101	23	.	.	PUNCT
admet-532	102	1	2e	2e	NUM
admet-532	102	2	)	)	PUNCT
admet-532	102	3	,	,	PUNCT
admet-532	102	4	indicates	indicate	VERB
admet-532	102	5	that	that	SCONJ
admet-532	102	6	it	it	PRON
admet-532	102	7	is	be	AUX
admet-532	102	8	poorly	poorly	ADV
admet-532	102	9	relevant	relevant	ADJ
admet-532	102	10	in	in	ADP
admet-532	102	11	the	the	DET
admet-532	102	12	description	description	NOUN
admet-532	102	13	of	of	ADP
admet-532	102	14	the	the	DET
admet-532	102	15	investigated	investigate	VERB
admet-532	102	16	property	property	NOUN
admet-532	102	17	.	.	PUNCT
admet-532	103	1	overall	overall	ADV
admet-532	103	2	,	,	PUNCT
admet-532	103	3	br	br	ADP
admet-532	103	4	analysis	analysis	NOUN
admet-532	103	5	shows	show	VERB
admet-532	103	6	that	that	PRON
admet-532	103	7	log	log	PROPN
admet-532	103	8	kw	kw	PROPN
admet-532	103	9	iam	iam	PROPN
admet-532	103	10	is	be	AUX
admet-532	103	11	essentially	essentially	ADV
admet-532	103	12	related	relate	VERB
admet-532	103	13	to	to	ADP
admet-532	103	14	the	the	DET
admet-532	103	15	dimensions	dimension	NOUN
admet-532	103	16	of	of	ADP
admet-532	103	17	the	the	DET
admet-532	103	18	molecules	molecule	NOUN
admet-532	103	19	.	.	PUNCT
admet-532	104	1	table	table	NOUN
admet-532	104	2	1	1	NUM
admet-532	104	3	.	.	PUNCT
admet-532	105	1	molecular	molecular	ADJ
admet-532	105	2	properties	property	NOUN
admet-532	105	3	analysed	analyse	VERB
admet-532	105	4	with	with	ADP
admet-532	105	5	the	the	DET
admet-532	105	6	br	br	NOUN
admet-532	105	7	analysis	analysis	NOUN
admet-532	105	8	descriptor	descriptor	NOUN
admet-532	105	9	type	type	NOUN
admet-532	105	10	descriptor	descriptor	NOUN
admet-532	105	11	reference	reference	NOUN
admet-532	105	12	biomimetic	biomimetic	PROPN
admet-532	105	13	chromatographic	chromatographic	ADJ
admet-532	105	14	index	index	NOUN
admet-532	105	15	log	log	NOUN
admet-532	105	16	kw	kw	PROPN
admet-532	105	17	iam	iam	PROPN
admet-532	106	1	[	[	X
admet-532	106	2	2	2	NUM
admet-532	106	3	]	]	X
admet-532	106	4	biomimetic	biomimetic	ADJ
admet-532	106	5	chromatographic	chromatographic	ADJ
admet-532	106	6	index	index	NOUN
admet-532	106	7	log	log	NOUN
admet-532	106	8	k	k	PROPN
admet-532	106	9	mucin	mucin	PROPN
admet-532	107	1	[	[	X
admet-532	107	2	19	19	NUM
admet-532	107	3	]	]	X
admet-532	107	4	biomimetic	biomimetic	ADJ
admet-532	107	5	combined	combine	VERB
admet-532	107	6	chromatographic	chromatographic	ADJ
admet-532	107	7	index	index	NOUN
admet-532	107	8	δlog	δlog	NOUN
admet-532	107	9	kw	kw	PROPN
admet-532	107	10	iam	iam	PROPN
admet-532	108	1	[	[	X
admet-532	108	2	2	2	NUM
admet-532	108	3	]	]	PUNCT
admet-532	108	4	biophysical	biophysical	ADJ
admet-532	108	5	method	method	NOUN
admet-532	108	6	log	log	NOUN
admet-532	108	7	kd	kd	PROPN
admet-532	108	8	(	(	PUNCT
admet-532	108	9	spr	spr	INTJ
admet-532	108	10	)	)	PUNCT
admet-532	109	1	[	[	X
admet-532	109	2	20	20	NUM
admet-532	109	3	]	]	PUNCT
admet-532	109	4	chromatographic	chromatographic	ADJ
admet-532	109	5	index	index	NOUN
admet-532	109	6	log	log	NOUN
admet-532	109	7	k	k	NOUN
admet-532	109	8	’	'	PUNCT
admet-532	109	9	c18	c18	NOUN
admet-532	110	1	[	[	X
admet-532	110	2	5	5	NUM
admet-532	110	3	]	]	PUNCT
admet-532	110	4	chromatographic	chromatographic	ADJ
admet-532	110	5	index	index	NOUN
admet-532	110	6	log	log	NOUN
admet-532	110	7	k	k	NOUN
admet-532	110	8	’	'	PUNCT
admet-532	110	9	ph	ph	NOUN
admet-532	110	10	[	[	PUNCT
admet-532	110	11	5	5	NUM
admet-532	110	12	]	]	PUNCT
admet-532	110	13	chromatographic	chromatographic	ADJ
admet-532	110	14	index	index	NOUN
admet-532	110	15	log	log	NOUN
admet-532	110	16	k	k	NOUN
admet-532	110	17	’	'	PUNCT
admet-532	110	18	cn	cn	PROPN
admet-532	110	19	-	-	NOUN
admet-532	110	20	rp	rp	NOUN
admet-532	111	1	[	[	X
admet-532	111	2	5	5	NUM
admet-532	111	3	]	]	PUNCT
admet-532	111	4	chromatographic	chromatographic	ADJ
admet-532	111	5	index	index	NOUN
admet-532	111	6	log	log	NOUN
admet-532	111	7	k	k	NOUN
admet-532	111	8	’	'	PUNCT
admet-532	111	9	oh	oh	INTJ
admet-532	111	10	-	-	PUNCT
admet-532	111	11	rp	rp	NOUN
admet-532	112	1	[	[	X
admet-532	112	2	5	5	NUM
admet-532	112	3	]	]	PUNCT
admet-532	112	4	chromatographic	chromatographic	ADJ
admet-532	112	5	index	index	NOUN
admet-532	112	6	log	log	NOUN
admet-532	112	7	k	k	NOUN
admet-532	112	8	’	'	PUNCT
admet-532	112	9	cn	cn	PROPN
admet-532	112	10	-	-	NOUN
admet-532	112	11	rp	rp	NOUN
admet-532	113	1	[	[	X
admet-532	113	2	5	5	NUM
admet-532	113	3	]	]	PUNCT
admet-532	113	4	chromatographic	chromatographic	ADJ
admet-532	113	5	index	index	NOUN
admet-532	113	6	log	log	NOUN
admet-532	113	7	k	k	NOUN
admet-532	113	8	’	'	PUNCT
admet-532	113	9	oh	oh	INTJ
admet-532	113	10	-	-	PUNCT
admet-532	113	11	rp	rp	NOUN
admet-532	114	1	[	[	X
admet-532	114	2	5	5	NUM
admet-532	114	3	]	]	PUNCT
admet-532	114	4	chromatographic	chromatographic	ADJ
admet-532	114	5	index	index	NOUN
admet-532	114	6	log	log	NOUN
admet-532	114	7	k	k	NOUN
admet-532	114	8	’	'	PUNCT
admet-532	114	9	nh2	nh2	PROPN
admet-532	114	10	-	-	PUNCT
admet-532	114	11	np	np	NOUN
admet-532	114	12	[	[	X
admet-532	114	13	5	5	NUM
admet-532	114	14	]	]	PUNCT
admet-532	114	15	chromatographic	chromatographic	ADJ
admet-532	114	16	index	index	NOUN
admet-532	114	17	log	log	NOUN
admet-532	114	18	k	k	NOUN
admet-532	114	19	’	'	PUNCT
admet-532	114	20	hilic	hilic	NOUN
admet-532	114	21	[	[	X
admet-532	114	22	5	5	NUM
admet-532	114	23	]	]	PUNCT
admet-532	114	24	chromatographic	chromatographic	ADJ
admet-532	114	25	index	index	NOUN
admet-532	114	26	log	log	NOUN
admet-532	114	27	k	k	NOUN
admet-532	114	28	’	'	PUNCT
admet-532	114	29	epsa	epsa	NOUN
admet-532	114	30	[	[	X
admet-532	114	31	21	21	NUM
admet-532	114	32	]	]	X
admet-532	114	33	chromatographic	chromatographic	ADJ
admet-532	114	34	index	index	NOUN
admet-532	114	35	log	log	NOUN
admet-532	114	36	k’80	k’80	PUNCT
admet-532	115	1	plrp	plrp	NOUN
admet-532	115	2	-	-	PUNCT
admet-532	115	3	s	s	X
admet-532	115	4	[	[	X
admet-532	115	5	22	22	NUM
admet-532	115	6	]	]	PUNCT
admet-532	115	7	chromatographic	chromatographic	ADJ
admet-532	115	8	index	index	NOUN
admet-532	115	9	elogd	elogd	VERB
admet-532	115	10	[	[	X
admet-532	115	11	22	22	NUM
admet-532	115	12	]	]	PUNCT
admet-532	115	13	combined	combined	ADJ
admet-532	115	14	partition	partition	NOUN
admet-532	115	15	coefficient	coefficient	NOUN
admet-532	115	16	δlog	δlog	PROPN
admet-532	115	17	poct	poct	NOUN
admet-532	115	18	-	-	PUNCT
admet-532	115	19	tol	tol	NOUN
admet-532	115	20	[	[	X
admet-532	115	21	6	6	NUM
admet-532	115	22	]	]	PUNCT
admet-532	115	23	computed	compute	VERB
admet-532	115	24	descriptor	descriptor	NOUN
admet-532	115	25	tpsa	tpsa	NOUN
admet-532	116	1	[	[	X
admet-532	116	2	21	21	NUM
admet-532	116	3	]	]	PUNCT
admet-532	116	4	computed	compute	VERB
admet-532	116	5	distribution	distribution	NOUN
admet-532	116	6	coefficient	coefficient	NOUN
admet-532	116	7	calc	calc	NOUN
admet-532	116	8	log	log	PROPN
admet-532	116	9	doct	doct	PROPN
admet-532	117	1	[	[	X
admet-532	117	2	23	23	NUM
admet-532	117	3	]	]	PUNCT
admet-532	117	4	computed	compute	VERB
admet-532	117	5	partition	partition	NOUN
admet-532	117	6	coefficient	coefficient	NOUN
admet-532	117	7	calc	calc	NOUN
admet-532	117	8	log	log	PROPN
admet-532	117	9	ptol	ptol	NOUN
admet-532	117	10	[	[	X
admet-532	117	11	22	22	NUM
admet-532	117	12	]	]	PUNCT
admet-532	117	13	distribution	distribution	NOUN
admet-532	117	14	coefficient	coefficient	NOUN
admet-532	117	15	log	log	VERB
admet-532	117	16	dlip	dlip	NOUN
admet-532	118	1	[	[	X
admet-532	118	2	20	20	NUM
admet-532	118	3	]	]	PUNCT
admet-532	118	4	distribution	distribution	NOUN
admet-532	118	5	coefficient	coefficient	NOUN
admet-532	118	6	log	log	NOUN
admet-532	118	7	d7.4	d7.4	PROPN
admet-532	118	8	oct	oct	NOUN
admet-532	119	1	[	[	X
admet-532	119	2	2	2	NUM
admet-532	119	3	]	]	PUNCT
admet-532	119	4	partition	partition	NOUN
admet-532	119	5	coefficient	coefficient	NOUN
admet-532	119	6	log	log	VERB
admet-532	119	7	poct	poct	NOUN
admet-532	119	8	[	[	X
admet-532	119	9	5	5	NUM
admet-532	119	10	]	]	PUNCT
admet-532	119	11	partition	partition	NOUN
admet-532	119	12	coefficient	coefficient	NOUN
admet-532	119	13	log	log	VERB
admet-532	119	14	poct	poct	NOUN
admet-532	120	1	[	[	X
admet-532	120	2	7	7	NUM
admet-532	120	3	]	]	PUNCT
admet-532	120	4	partition	partition	NOUN
admet-532	120	5	coefficient	coefficient	NOUN
admet-532	120	6	elogp	elogp	NOUN
admet-532	120	7	[	[	X
admet-532	120	8	7	7	NUM
admet-532	120	9	]	]	PUNCT
admet-532	120	10	partition	partition	NOUN
admet-532	120	11	coefficient	coefficient	NOUN
admet-532	120	12	log	log	VERB
admet-532	120	13	poct	poct	NOUN
admet-532	120	14	[	[	X
admet-532	120	15	6	6	NUM
admet-532	120	16	]	]	PUNCT
admet-532	120	17	partition	partition	NOUN
admet-532	120	18	coefficient	coefficient	NOUN
admet-532	120	19	log	log	NOUN
admet-532	120	20	ptol	ptol	NOUN
admet-532	120	21	[	[	X
admet-532	120	22	6	6	NUM
admet-532	120	23	]	]	PUNCT
admet-532	120	24	partition	partition	NOUN
admet-532	120	25	coefficient	coefficient	NOUN
admet-532	120	26	log	log	VERB
admet-532	120	27	poct	poct	NOUN
admet-532	121	1	[	[	X
admet-532	121	2	2	2	NUM
admet-532	121	3	]	]	PUNCT
admet-532	121	4	permeability	permeability	NOUN
admet-532	121	5	rate	rate	NOUN
admet-532	121	6	log	log	NOUN
admet-532	121	7	papp(rrck	papp(rrck	PROPN
admet-532	121	8	)	)	PUNCT
admet-532	122	1	[	[	X
admet-532	122	2	21	21	NUM
admet-532	122	3	]	]	PUNCT
admet-532	122	4	permeability	permeability	NOUN
admet-532	122	5	rate	rate	NOUN
admet-532	122	6	log	log	NOUN
admet-532	122	7	papp(caco-2	papp(caco-2	NOUN
admet-532	122	8	)	)	PUNCT
admet-532	122	9	[	[	X
admet-532	122	10	21	21	NUM
admet-532	122	11	]	]	PUNCT
admet-532	122	12	permeability	permeability	NOUN
admet-532	122	13	rate	rate	NOUN
admet-532	122	14	log	log	NOUN
admet-532	122	15	papp	papp	NOUN
admet-532	122	16	(	(	PUNCT
admet-532	122	17	6.5/7.4	6.5/7.4	NUM
admet-532	122	18	)	)	PUNCT
admet-532	122	19	[	[	X
admet-532	122	20	23	23	NUM
admet-532	122	21	]	]	PUNCT
admet-532	122	22	permeability	permeability	NOUN
admet-532	122	23	rate	rate	NOUN
admet-532	122	24	log	log	NOUN
admet-532	122	25	papp	papp	NOUN
admet-532	122	26	(	(	PUNCT
admet-532	122	27	7.4/7.4	7.4/7.4	NUM
admet-532	122	28	)	)	PUNCT
admet-532	123	1	[	[	X
admet-532	123	2	23	23	NUM
admet-532	123	3	]	]	PUNCT
admet-532	123	4	as	as	SCONJ
admet-532	123	5	expected	expect	VERB
admet-532	123	6	,	,	PUNCT
admet-532	123	7	the	the	DET
admet-532	123	8	vips	vip	NOUN
admet-532	123	9	/	/	SYM
admet-532	123	10	coefficients	coefficient	NOUN
admet-532	123	11	plots	plot	NOUN
admet-532	123	12	and	and	CCONJ
admet-532	123	13	the	the	DET
admet-532	123	14	br	br	NOUN
admet-532	123	15	analysis	analysis	NOUN
admet-532	123	16	provide	provide	VERB
admet-532	123	17	a	a	DET
admet-532	123	18	similar	similar	ADJ
admet-532	123	19	picture	picture	NOUN
admet-532	123	20	,	,	PUNCT
admet-532	123	21	but	but	CCONJ
admet-532	123	22	the	the	DET
admet-532	123	23	br	br	NOUN
admet-532	123	24	analysis	analysis	NOUN
admet-532	123	25	immediately	immediately	ADV
admet-532	123	26	focuses	focus	VERB
admet-532	123	27	on	on	ADP
admet-532	123	28	the	the	DET
admet-532	123	29	main	main	ADJ
admet-532	123	30	features	feature	NOUN
admet-532	123	31	that	that	PRON
admet-532	123	32	drive	drive	VERB
admet-532	123	33	the	the	DET
admet-532	123	34	model	model	NOUN
admet-532	123	35	.	.	PUNCT
admet-532	124	1	it	it	PRON
admet-532	124	2	is	be	AUX
admet-532	124	3	noteworthy	noteworthy	ADJ
admet-532	124	4	to	to	PART
admet-532	124	5	underline	underline	VERB
admet-532	124	6	that	that	SCONJ
admet-532	124	7	the	the	DET
admet-532	124	8	two	two	NUM
admet-532	124	9	approaches	approach	NOUN
admet-532	124	10	can	can	AUX
admet-532	124	11	be	be	AUX
admet-532	124	12	combined	combine	VERB
admet-532	124	13	;	;	PUNCT
admet-532	124	14	using	use	VERB
admet-532	124	15	the	the	DET
admet-532	124	16	br	br	NOUN
admet-532	124	17	analysis	analysis	NOUN
admet-532	124	18	to	to	PART
admet-532	124	19	obtain	obtain	VERB
admet-532	124	20	a	a	DET
admet-532	124	21	general	general	ADJ
admet-532	124	22	idea	idea	NOUN
admet-532	124	23	of	of	ADP
admet-532	124	24	the	the	DET
admet-532	124	25	main	main	ADJ
admet-532	124	26	interaction	interaction	NOUN
admet-532	124	27	governing	govern	VERB
admet-532	124	28	the	the	DET
admet-532	124	29	property	property	NOUN
admet-532	124	30	under	under	ADP
admet-532	124	31	study	study	NOUN
admet-532	124	32	and	and	CCONJ
admet-532	124	33	then	then	ADV
admet-532	124	34	the	the	DET
admet-532	124	35	vips	vip	NOUN
admet-532	124	36	/	/	SYM
admet-532	124	37	coefficients	coefficient	NOUN
admet-532	124	38	plots	plot	NOUN
admet-532	124	39	for	for	ADP
admet-532	124	40	a	a	DET
admet-532	124	41	more	more	ADV
admet-532	124	42	detailed	detailed	ADJ
admet-532	124	43	analysis	analysis	NOUN
admet-532	124	44	of	of	ADP
admet-532	124	45	the	the	DET
admet-532	124	46	results	result	NOUN
admet-532	124	47	.	.	PUNCT
admet-532	125	1	admet	admet	PROPN
admet-532	125	2	&	&	CCONJ
admet-532	125	3	dmpk	dmpk	PROPN
admet-532	125	4	6(3	6(3	PROPN
admet-532	125	5	)	)	PUNCT
admet-532	125	6	(	(	PUNCT
admet-532	125	7	2018	2018	NUM
admet-532	125	8	)	)	PUNCT
admet-532	125	9	215	215	NUM
admet-532	125	10	-	-	SYM
admet-532	125	11	224	224	NUM
admet-532	125	12	block	block	NOUN
admet-532	125	13	relevance	relevance	NOUN
admet-532	125	14	analysis	analysis	NOUN
admet-532	125	15	in	in	ADP
admet-532	125	16	property	property	NOUN
admet-532	125	17	-	-	PUNCT
admet-532	125	18	based	base	VERB
admet-532	125	19	drug	drug	NOUN
admet-532	125	20	design	design	NOUN
admet-532	125	21	doi	doi	NOUN
admet-532	125	22	:	:	PUNCT
admet-532	125	23	10.5599	10.5599	NUM
admet-532	125	24	/	/	SYM
admet-532	125	25	admet.532	admet.532	NOUN
admet-532	125	26	221	221	NUM
admet-532	125	27	up	up	ADP
admet-532	125	28	to	to	ADP
admet-532	125	29	now	now	ADV
admet-532	125	30	br	br	VERB
admet-532	125	31	analysis	analysis	NOUN
admet-532	125	32	has	have	AUX
admet-532	125	33	been	be	AUX
admet-532	125	34	applied	apply	VERB
admet-532	125	35	to	to	ADP
admet-532	125	36	various	various	ADJ
admet-532	125	37	properties	property	NOUN
admet-532	125	38	related	relate	VERB
admet-532	125	39	to	to	ADP
admet-532	125	40	the	the	DET
admet-532	125	41	drug	drug	NOUN
admet-532	125	42	discovery	discovery	NOUN
admet-532	125	43	process	process	NOUN
admet-532	125	44	(	(	PUNCT
admet-532	125	45	table	table	NOUN
admet-532	125	46	1	1	NUM
admet-532	125	47	)	)	PUNCT
admet-532	125	48	to	to	PART
admet-532	125	49	deconvolute	deconvolute	VERB
admet-532	125	50	the	the	DET
admet-532	125	51	different	different	ADJ
admet-532	125	52	balance	balance	NOUN
admet-532	125	53	of	of	ADP
admet-532	125	54	intermolecular	intermolecular	ADJ
admet-532	125	55	forces	force	NOUN
admet-532	125	56	governing	govern	VERB
admet-532	125	57	the	the	DET
admet-532	125	58	properties	property	NOUN
admet-532	125	59	under	under	ADP
admet-532	125	60	investigation	investigation	NOUN
admet-532	125	61	.	.	PUNCT
admet-532	126	1	overall	overall	ADV
admet-532	126	2	,	,	PUNCT
admet-532	126	3	we	we	PRON
admet-532	126	4	verified	verify	VERB
admet-532	126	5	the	the	DET
admet-532	126	6	interchangeability	interchangeability	NOUN
admet-532	126	7	of	of	ADP
admet-532	126	8	descriptors	descriptor	NOUN
admet-532	126	9	obtained	obtain	VERB
admet-532	126	10	with	with	ADP
admet-532	126	11	different	different	ADJ
admet-532	126	12	methods	method	NOUN
admet-532	126	13	and	and	CCONJ
admet-532	126	14	claimed	claim	VERB
admet-532	126	15	,	,	PUNCT
admet-532	126	16	or	or	CCONJ
admet-532	126	17	not	not	PART
admet-532	126	18	to	to	PART
admet-532	126	19	provide	provide	VERB
admet-532	126	20	the	the	DET
admet-532	126	21	same	same	ADJ
admet-532	126	22	information	information	NOUN
admet-532	126	23	.	.	PUNCT
admet-532	127	1	this	this	PRON
admet-532	127	2	was	be	AUX
admet-532	127	3	done	do	VERB
admet-532	127	4	for	for	ADP
admet-532	127	5	lipophilicity	lipophilicity	NOUN
admet-532	127	6	,	,	PUNCT
admet-532	127	7	permeability	permeability	NOUN
admet-532	127	8	and	and	CCONJ
admet-532	127	9	polarity	polarity	NOUN
admet-532	127	10	descriptors	descriptor	NOUN
admet-532	127	11	.	.	PUNCT
admet-532	128	1	the	the	DET
admet-532	128	2	next	next	ADJ
admet-532	128	3	section	section	NOUN
admet-532	128	4	describes	describe	VERB
admet-532	128	5	application	application	NOUN
admet-532	128	6	of	of	ADP
admet-532	128	7	br	br	NOUN
admet-532	128	8	analysis	analysis	NOUN
admet-532	128	9	to	to	ADP
admet-532	128	10	the	the	DET
admet-532	128	11	identification	identification	NOUN
admet-532	128	12	of	of	ADP
admet-532	128	13	experimental	experimental	ADJ
admet-532	128	14	polarity	polarity	NOUN
admet-532	128	15	descriptors	descriptor	NOUN
admet-532	128	16	.	.	PUNCT
admet-532	129	1	br	br	ADP
admet-532	129	2	analysis	analysis	NOUN
admet-532	129	3	and	and	CCONJ
admet-532	129	4	polarity	polarity	NOUN
admet-532	129	5	descriptors	descriptor	NOUN
admet-532	129	6	polarity	polarity	NOUN
admet-532	129	7	is	be	AUX
admet-532	129	8	a	a	DET
admet-532	129	9	molecular	molecular	ADJ
admet-532	129	10	property	property	NOUN
admet-532	129	11	of	of	ADP
admet-532	129	12	remarkable	remarkable	ADJ
admet-532	129	13	interest	interest	NOUN
admet-532	129	14	in	in	ADP
admet-532	129	15	the	the	DET
admet-532	129	16	characterization	characterization	NOUN
admet-532	129	17	of	of	ADP
admet-532	129	18	the	the	DET
admet-532	129	19	propensity	propensity	NOUN
admet-532	129	20	of	of	ADP
admet-532	129	21	compounds	compound	NOUN
admet-532	129	22	to	to	PART
admet-532	129	23	form	form	VERB
admet-532	129	24	an	an	DET
admet-532	129	25	intramolecular	intramolecular	ADJ
admet-532	129	26	hydrogen	hydrogen	NOUN
admet-532	129	27	bond	bond	NOUN
admet-532	129	28	(	(	PUNCT
admet-532	129	29	imhb	imhb	NOUN
admet-532	129	30	)	)	PUNCT
admet-532	130	1	[	[	X
admet-532	130	2	24	24	NUM
admet-532	130	3	]	]	PUNCT
admet-532	130	4	and	and	CCONJ
admet-532	130	5	thus	thus	ADV
admet-532	130	6	in	in	ADP
admet-532	130	7	the	the	DET
admet-532	130	8	prediction	prediction	NOUN
admet-532	130	9	of	of	ADP
admet-532	130	10	permeability	permeability	NOUN
admet-532	130	11	[	[	X
admet-532	130	12	25	25	NUM
admet-532	130	13	]	]	PUNCT
admet-532	130	14	.	.	PUNCT
admet-532	131	1	it	it	PRON
admet-532	131	2	is	be	AUX
admet-532	131	3	often	often	ADV
admet-532	131	4	estimated	estimate	VERB
admet-532	131	5	using	use	VERB
admet-532	131	6	the	the	DET
admet-532	131	7	polar	polar	ADJ
admet-532	131	8	surface	surface	NOUN
admet-532	131	9	area	area	NOUN
admet-532	131	10	(	(	PUNCT
admet-532	131	11	psa	psa	PROPN
admet-532	131	12	)	)	PUNCT
admet-532	131	13	which	which	PRON
admet-532	131	14	can	can	AUX
admet-532	131	15	be	be	AUX
admet-532	131	16	calculated	calculate	VERB
admet-532	131	17	either	either	CCONJ
admet-532	131	18	using	use	VERB
admet-532	131	19	the	the	DET
admet-532	131	20	2d	2d	NUM
admet-532	131	21	structure	structure	NOUN
admet-532	131	22	,	,	PUNCT
admet-532	131	23	topological	topological	ADJ
admet-532	131	24	polar	polar	ADJ
admet-532	131	25	surface	surface	NOUN
admet-532	131	26	area	area	NOUN
admet-532	131	27	(	(	PUNCT
admet-532	131	28	tpsa	tpsa	PROPN
admet-532	131	29	)	)	PUNCT
admet-532	131	30	,	,	PUNCT
admet-532	131	31	or	or	CCONJ
admet-532	131	32	the	the	DET
admet-532	131	33	3d	3d	PROPN
admet-532	131	34	structure	structure	NOUN
admet-532	131	35	,	,	PUNCT
admet-532	131	36	the	the	DET
admet-532	131	37	molecular	molecular	ADJ
admet-532	131	38	polar	polar	ADJ
admet-532	131	39	surface	surface	NOUN
admet-532	131	40	area	area	NOUN
admet-532	131	41	(	(	PUNCT
admet-532	131	42	mpsa	mpsa	PROPN
admet-532	131	43	)	)	PUNCT
admet-532	131	44	.	.	PUNCT
admet-532	132	1	both	both	DET
admet-532	132	2	descriptors	descriptor	NOUN
admet-532	132	3	have	have	VERB
admet-532	132	4	severe	severe	ADJ
admet-532	132	5	limitations	limitation	NOUN
admet-532	132	6	since	since	SCONJ
admet-532	132	7	a	a	PRON
admet-532	132	8	)	)	PUNCT
admet-532	132	9	hbd	hbd	NOUN
admet-532	132	10	and	and	CCONJ
admet-532	132	11	hba	hba	NOUN
admet-532	132	12	strength	strength	NOUN
admet-532	132	13	and	and	CCONJ
admet-532	132	14	hb	hb	NOUN
admet-532	132	15	directionality	directionality	NOUN
admet-532	132	16	are	be	AUX
admet-532	132	17	not	not	PART
admet-532	132	18	considered	consider	VERB
admet-532	132	19	b	b	NUM
admet-532	132	20	)	)	PUNCT
admet-532	132	21	hba	hba	NOUN
admet-532	132	22	and	and	CCONJ
admet-532	132	23	hbd	hbd	NOUN
admet-532	132	24	contributions	contribution	NOUN
admet-532	132	25	are	be	AUX
admet-532	132	26	not	not	PART
admet-532	132	27	distinguished	distinguish	VERB
admet-532	132	28	and	and	CCONJ
admet-532	132	29	c	c	X
admet-532	132	30	)	)	PUNCT
admet-532	132	31	some	some	DET
admet-532	132	32	atoms	atom	NOUN
admet-532	132	33	with	with	ADP
admet-532	132	34	partial	partial	ADJ
admet-532	132	35	charge	charge	NOUN
admet-532	132	36	different	different	ADJ
admet-532	132	37	from	from	ADP
admet-532	132	38	zero	zero	NUM
admet-532	132	39	are	be	AUX
admet-532	132	40	not	not	PART
admet-532	132	41	considered	consider	VERB
admet-532	132	42	to	to	PART
admet-532	132	43	be	be	AUX
admet-532	132	44	polar	polar	ADJ
admet-532	133	1	[	[	X
admet-532	133	2	26	26	NUM
admet-532	133	3	]	]	PUNCT
admet-532	133	4	.	.	PUNCT
admet-532	134	1	moreover	moreover	ADV
admet-532	134	2	,	,	PUNCT
admet-532	134	3	as	as	SCONJ
admet-532	134	4	discussed	discuss	VERB
admet-532	134	5	in	in	ADP
admet-532	134	6	a	a	DET
admet-532	134	7	previous	previous	ADJ
admet-532	134	8	paper	paper	NOUN
admet-532	134	9	,	,	PUNCT
admet-532	134	10	increasing	increase	VERB
admet-532	134	11	the	the	DET
admet-532	134	12	size	size	NOUN
admet-532	134	13	of	of	ADP
admet-532	134	14	the	the	DET
admet-532	134	15	molecules	molecule	NOUN
admet-532	134	16	,	,	PUNCT
admet-532	134	17	the	the	DET
admet-532	134	18	psa	psa	NOUN
admet-532	134	19	takes	take	VERB
admet-532	134	20	into	into	ADP
admet-532	134	21	account	account	NOUN
admet-532	134	22	steric	steric	ADJ
admet-532	134	23	effects	effect	NOUN
admet-532	134	24	that	that	PRON
admet-532	134	25	tpsa	tpsa	NOUN
admet-532	134	26	does	do	AUX
admet-532	134	27	not	not	PART
admet-532	134	28	reproduce	reproduce	VERB
admet-532	134	29	[	[	X
admet-532	134	30	19	19	NUM
admet-532	134	31	]	]	PUNCT
admet-532	134	32	.	.	PUNCT
admet-532	135	1	these	these	DET
admet-532	135	2	limitations	limitation	NOUN
admet-532	135	3	suggest	suggest	VERB
admet-532	135	4	that	that	SCONJ
admet-532	135	5	measuring	measure	VERB
admet-532	135	6	rather	rather	ADV
admet-532	135	7	than	than	ADP
admet-532	135	8	predicting	predict	VERB
admet-532	135	9	polarity	polarity	NOUN
admet-532	135	10	could	could	AUX
admet-532	135	11	improve	improve	VERB
admet-532	135	12	property	property	NOUN
admet-532	135	13	-	-	PUNCT
admet-532	135	14	based	base	VERB
admet-532	135	15	drug	drug	NOUN
admet-532	135	16	discovery	discovery	NOUN
admet-532	135	17	.	.	PUNCT
admet-532	136	1	to	to	PART
admet-532	136	2	verify	verify	VERB
admet-532	136	3	whether	whether	SCONJ
admet-532	136	4	an	an	DET
admet-532	136	5	experimental	experimental	ADJ
admet-532	136	6	physicochemical	physicochemical	ADJ
admet-532	136	7	descriptor	descriptor	NOUN
admet-532	136	8	is	be	AUX
admet-532	136	9	a	a	DET
admet-532	136	10	clean	clean	ADJ
admet-532	136	11	polarity	polarity	NOUN
admet-532	136	12	determinant	determinant	ADJ
admet-532	136	13	,	,	PUNCT
admet-532	136	14	we	we	PRON
admet-532	136	15	can	can	AUX
admet-532	136	16	apply	apply	VERB
admet-532	136	17	br	br	NOUN
admet-532	136	18	analysis	analysis	NOUN
admet-532	136	19	and	and	CCONJ
admet-532	136	20	check	check	VERB
admet-532	136	21	if	if	SCONJ
admet-532	136	22	the	the	DET
admet-532	136	23	considered	consider	VERB
admet-532	136	24	descriptor	descriptor	NOUN
admet-532	136	25	is	be	AUX
admet-532	136	26	mainly	mainly	ADV
admet-532	136	27	driven	drive	VERB
admet-532	136	28	by	by	ADP
admet-532	136	29	the	the	DET
admet-532	136	30	three	three	NUM
admet-532	136	31	blocks	block	NOUN
admet-532	136	32	related	relate	VERB
admet-532	136	33	to	to	ADP
admet-532	136	34	polarity	polarity	NOUN
admet-532	136	35	(	(	PUNCT
admet-532	136	36	light	light	NOUN
admet-532	136	37	blue	blue	ADJ
admet-532	136	38	,	,	PUNCT
admet-532	136	39	red	red	ADJ
admet-532	136	40	and	and	CCONJ
admet-532	136	41	blue	blue	ADJ
admet-532	136	42	blocks	block	NOUN
admet-532	136	43	,	,	PUNCT
admet-532	136	44	see	see	VERB
admet-532	136	45	fig	fig	NOUN
admet-532	136	46	.	.	PUNCT
admet-532	137	1	3a	3a	NUM
admet-532	137	2	for	for	ADP
admet-532	137	3	a	a	DET
admet-532	137	4	concise	concise	ADJ
admet-532	137	5	colour	colour	NOUN
admet-532	137	6	code	code	NOUN
admet-532	137	7	scheme	scheme	NOUN
admet-532	137	8	)	)	PUNCT
admet-532	137	9	.	.	PUNCT
admet-532	138	1	below	below	ADP
admet-532	138	2	we	we	PRON
admet-532	138	3	describe	describe	VERB
admet-532	138	4	how	how	SCONJ
admet-532	138	5	br	br	NOUN
admet-532	138	6	analysis	analysis	NOUN
admet-532	138	7	provides	provide	VERB
admet-532	138	8	insight	insight	NOUN
admet-532	138	9	into	into	ADP
admet-532	138	10	three	three	NUM
admet-532	138	11	descriptors	descriptor	NOUN
admet-532	138	12	that	that	SCONJ
admet-532	138	13	in	in	ADP
admet-532	138	14	principle	principle	NOUN
admet-532	138	15	can	can	AUX
admet-532	138	16	be	be	AUX
admet-532	138	17	considered	consider	VERB
admet-532	138	18	polarity	polarity	NOUN
admet-532	138	19	descriptors	descriptor	NOUN
admet-532	138	20	.	.	PUNCT
admet-532	139	1	δlog	δlog	PROPN
admet-532	139	2	poct	poct	NOUN
admet-532	139	3	-	-	PUNCT
admet-532	139	4	tol	tol	NOUN
admet-532	139	5	is	be	AUX
admet-532	139	6	the	the	DET
admet-532	139	7	difference	difference	NOUN
admet-532	139	8	between	between	ADP
admet-532	139	9	log	log	NOUN
admet-532	139	10	poct	poct	NOUN
admet-532	139	11	(	(	PUNCT
admet-532	139	12	the	the	DET
admet-532	139	13	logarithm	logarithm	NOUN
admet-532	139	14	of	of	ADP
admet-532	139	15	the	the	DET
admet-532	139	16	partition	partition	NOUN
admet-532	139	17	coefficient	coefficient	NOUN
admet-532	139	18	p	p	NOUN
admet-532	139	19	in	in	ADP
admet-532	139	20	the	the	DET
admet-532	139	21	octanol	octanol	NOUN
admet-532	139	22	/	/	SYM
admet-532	139	23	water	water	NOUN
admet-532	139	24	system	system	NOUN
admet-532	139	25	)	)	PUNCT
admet-532	139	26	and	and	CCONJ
admet-532	139	27	log	log	VERB
admet-532	139	28	ptol	ptol	NOUN
admet-532	139	29	(	(	PUNCT
admet-532	139	30	the	the	DET
admet-532	139	31	logarithm	logarithm	NOUN
admet-532	139	32	of	of	ADP
admet-532	139	33	the	the	DET
admet-532	139	34	partition	partition	NOUN
admet-532	139	35	coefficient	coefficient	NOUN
admet-532	139	36	p	p	NOUN
admet-532	139	37	in	in	ADP
admet-532	139	38	the	the	DET
admet-532	139	39	toluene	toluene	ADJ
admet-532	139	40	/	/	SYM
admet-532	139	41	water	water	NOUN
admet-532	139	42	system	system	NOUN
admet-532	139	43	)	)	PUNCT
admet-532	139	44	.	.	PUNCT
admet-532	140	1	br	br	ADP
admet-532	140	2	analysis	analysis	NOUN
admet-532	140	3	(	(	PUNCT
admet-532	140	4	fig	fig	NOUN
admet-532	140	5	.	.	PUNCT
admet-532	140	6	3b	3b	NUM
admet-532	140	7	)	)	PUNCT
admet-532	140	8	indicates	indicate	VERB
admet-532	140	9	that	that	SCONJ
admet-532	140	10	δlog	δlog	NOUN
admet-532	140	11	poct	poct	NOUN
admet-532	140	12	-	-	PUNCT
admet-532	140	13	tol	tol	NOUN
admet-532	140	14	is	be	AUX
admet-532	140	15	a	a	DET
admet-532	140	16	clean	clean	ADJ
admet-532	140	17	descriptor	descriptor	NOUN
admet-532	140	18	of	of	ADP
admet-532	140	19	exposed	expose	VERB
admet-532	140	20	hbd	hbd	NOUN
admet-532	140	21	properties	property	NOUN
admet-532	140	22	[	[	X
admet-532	140	23	6	6	NUM
admet-532	140	24	]	]	PUNCT
admet-532	140	25	.	.	PUNCT
admet-532	141	1	notably	notably	ADV
admet-532	141	2	,	,	PUNCT
admet-532	141	3	the	the	DET
admet-532	141	4	solutes	solute	NOUN
admet-532	141	5	’	'	PUNCT
admet-532	141	6	hba	hba	NOUN
admet-532	141	7	properties	property	NOUN
admet-532	141	8	do	do	AUX
admet-532	141	9	not	not	PART
admet-532	141	10	significantly	significantly	ADV
admet-532	141	11	contribute	contribute	VERB
admet-532	141	12	to	to	ADP
admet-532	141	13	δlog	δlog	NOUN
admet-532	141	14	poct	poct	NOUN
admet-532	141	15	-	-	PUNCT
admet-532	141	16	tol	tol	NOUN
admet-532	141	17	which	which	PRON
admet-532	141	18	therefore	therefore	ADV
admet-532	141	19	can	can	AUX
admet-532	141	20	not	not	PART
admet-532	141	21	be	be	AUX
admet-532	141	22	strictly	strictly	ADV
admet-532	141	23	considered	consider	VERB
admet-532	141	24	a	a	DET
admet-532	141	25	polarity	polarity	NOUN
admet-532	141	26	descriptor	descriptor	NOUN
admet-532	141	27	.	.	PUNCT
admet-532	142	1	epsa	epsa	NOUN
admet-532	142	2	is	be	AUX
admet-532	142	3	an	an	DET
admet-532	142	4	exposed	expose	VERB
admet-532	142	5	polarity	polarity	NOUN
admet-532	142	6	measurement	measurement	NOUN
admet-532	142	7	which	which	PRON
admet-532	142	8	assesses	assess	VERB
admet-532	142	9	polarity	polarity	NOUN
admet-532	142	10	by	by	ADP
admet-532	142	11	retention	retention	NOUN
admet-532	142	12	time	time	NOUN
admet-532	142	13	using	use	VERB
admet-532	142	14	controlled	control	VERB
admet-532	142	15	supercritical	supercritical	ADJ
admet-532	142	16	fluid	fluid	NOUN
admet-532	142	17	chromatography	chromatography	NOUN
admet-532	142	18	(	(	PUNCT
admet-532	142	19	sfc	sfc	NOUN
admet-532	142	20	)	)	PUNCT
admet-532	142	21	conditions	condition	NOUN
admet-532	142	22	[	[	X
admet-532	142	23	24,27,28	24,27,28	NUM
admet-532	142	24	]	]	X
admet-532	142	25	.	.	PUNCT
admet-532	143	1	br	br	NOUN
admet-532	143	2	analysis	analysis	NOUN
admet-532	143	3	was	be	AUX
admet-532	143	4	applied	apply	VERB
admet-532	143	5	to	to	PART
admet-532	143	6	understand	understand	VERB
admet-532	143	7	the	the	DET
admet-532	143	8	balance	balance	NOUN
admet-532	143	9	of	of	ADP
admet-532	143	10	intermolecular	intermolecular	ADJ
admet-532	143	11	forces	force	NOUN
admet-532	143	12	governing	govern	VERB
admet-532	143	13	epsa	epsa	NOUN
admet-532	143	14	(	(	PUNCT
admet-532	143	15	fig	fig	NOUN
admet-532	143	16	.	.	PUNCT
admet-532	144	1	3c	3c	NUM
admet-532	144	2	)	)	PUNCT
admet-532	144	3	.	.	PUNCT
admet-532	145	1	results	result	NOUN
admet-532	145	2	showed	show	VERB
admet-532	145	3	that	that	SCONJ
admet-532	145	4	epsa	epsa	NOUN
admet-532	145	5	is	be	AUX
admet-532	145	6	governed	govern	VERB
admet-532	145	7	by	by	ADP
admet-532	145	8	the	the	DET
admet-532	145	9	solutes	solute	NOUN
admet-532	145	10	’	'	PUNCT
admet-532	145	11	hbd	hbd	NOUN
admet-532	145	12	(	(	PUNCT
admet-532	145	13	red	red	ADJ
admet-532	145	14	,	,	PUNCT
admet-532	145	15	positive	positive	ADJ
admet-532	145	16	)	)	PUNCT
admet-532	145	17	and	and	CCONJ
admet-532	145	18	hba	hba	NOUN
admet-532	145	19	(	(	PUNCT
admet-532	145	20	blue	blue	ADJ
admet-532	145	21	,	,	PUNCT
admet-532	145	22	negative	negative	ADJ
admet-532	145	23	)	)	PUNCT
admet-532	145	24	.	.	PUNCT
admet-532	146	1	because	because	SCONJ
admet-532	146	2	hbd	hbd	NOUN
admet-532	146	3	and	and	CCONJ
admet-532	146	4	hba	hba	NOUN
admet-532	146	5	blocks	block	NOUN
admet-532	146	6	have	have	VERB
admet-532	146	7	the	the	DET
admet-532	146	8	opposite	opposite	ADJ
admet-532	146	9	sign	sign	NOUN
admet-532	146	10	,	,	PUNCT
admet-532	146	11	br	br	ADP
admet-532	146	12	analysis	analysis	NOUN
admet-532	146	13	gives	give	VERB
admet-532	146	14	evidence	evidence	NOUN
admet-532	146	15	that	that	SCONJ
admet-532	146	16	the	the	DET
admet-532	146	17	presence	presence	NOUN
admet-532	146	18	of	of	ADP
admet-532	146	19	hba	hba	NOUN
admet-532	146	20	groups	group	NOUN
admet-532	146	21	could	could	AUX
admet-532	146	22	be	be	AUX
admet-532	146	23	considered	consider	VERB
admet-532	146	24	as	as	ADP
admet-532	146	25	an	an	DET
admet-532	146	26	interference	interference	NOUN
admet-532	146	27	and	and	CCONJ
admet-532	146	28	therefore	therefore	ADV
admet-532	146	29	the	the	DET
admet-532	146	30	hbd	hbd	NOUN
admet-532	146	31	properties	property	NOUN
admet-532	146	32	of	of	ADP
admet-532	146	33	the	the	DET
admet-532	146	34	molecule	molecule	NOUN
admet-532	146	35	can	can	AUX
admet-532	146	36	be	be	AUX
admet-532	146	37	underestimated	underestimate	VERB
admet-532	146	38	by	by	ADP
admet-532	146	39	epsa	epsa	NOUN
admet-532	146	40	when	when	SCONJ
admet-532	146	41	the	the	DET
admet-532	146	42	structure	structure	NOUN
admet-532	146	43	includes	include	VERB
admet-532	146	44	more	more	ADJ
admet-532	146	45	hba	hba	NOUN
admet-532	146	46	groups	group	NOUN
admet-532	146	47	.	.	PUNCT
admet-532	147	1	[	[	X
admet-532	147	2	21	21	NUM
admet-532	147	3	]	]	PUNCT
admet-532	147	4	these	these	DET
admet-532	147	5	findings	finding	NOUN
admet-532	147	6	suggest	suggest	VERB
admet-532	147	7	that	that	SCONJ
admet-532	147	8	also	also	ADV
admet-532	147	9	epsa	epsa	NOUN
admet-532	147	10	can	can	AUX
admet-532	147	11	not	not	PART
admet-532	147	12	be	be	AUX
admet-532	147	13	strictly	strictly	ADV
admet-532	147	14	considered	consider	VERB
admet-532	147	15	a	a	DET
admet-532	147	16	polarity	polarity	NOUN
admet-532	147	17	descriptor	descriptor	NOUN
admet-532	147	18	.	.	PUNCT
admet-532	148	1	according	accord	VERB
admet-532	148	2	to	to	ADP
admet-532	148	3	grumetto	grumetto	PROPN
admet-532	148	4	et	et	PROPN
admet-532	148	5	al	al	PROPN
admet-532	148	6	.	.	PUNCT
admet-532	149	1	[	[	X
admet-532	149	2	29	29	NUM
admet-532	149	3	]	]	X
admet-532	149	4	log	log	PROPN
admet-532	149	5	kw	kw	PROPN
admet-532	149	6	iam	iam	PROPN
admet-532	149	7	is	be	AUX
admet-532	149	8	the	the	DET
admet-532	149	9	difference	difference	NOUN
admet-532	149	10	between	between	ADP
admet-532	149	11	the	the	DET
admet-532	149	12	logarithm	logarithm	NOUN
admet-532	149	13	of	of	ADP
admet-532	149	14	the	the	DET
admet-532	149	15	experimental	experimental	ADJ
admet-532	149	16	chromatographic	chromatographic	ADJ
admet-532	149	17	retention	retention	NOUN
admet-532	149	18	factor	factor	NOUN
admet-532	149	19	(	(	PUNCT
admet-532	149	20	log	log	NOUN
admet-532	149	21	kw	kw	PROPN
admet-532	149	22	iam	iam	PROPN
admet-532	149	23	)	)	PUNCT
admet-532	149	24	and	and	CCONJ
admet-532	149	25	the	the	DET
admet-532	149	26	value	value	NOUN
admet-532	149	27	here	here	ADV
admet-532	149	28	named	name	VERB
admet-532	149	29	clog	clog	NOUN
admet-532	149	30	kw	kw	PROPN
admet-532	149	31	iam	iam	PROPN
admet-532	149	32	calculated	calculate	VERB
admet-532	149	33	using	use	VERB
admet-532	149	34	eq	eq	ADP
admet-532	149	35	.	.	PROPN
admet-532	149	36	7	7	X
admet-532	149	37	.	.	X
admet-532	149	38	𝑐𝑙𝑜𝑔	𝑐𝑙𝑜𝑔	NOUN
admet-532	150	1	𝐾𝑤	𝐾𝑤	PROPN
admet-532	150	2	𝐼𝐴𝑀	𝐼𝐴𝑀	PROPN
admet-532	150	3	=	=	NOUN
admet-532	150	4	0.92	0.92	NUM
admet-532	150	5	∗	∗	NOUN
admet-532	150	6	log	log	NOUN
admet-532	150	7	𝑃𝑜𝑐𝑡	𝑃𝑜𝑐𝑡	PROPN
admet-532	150	8	𝑁	𝑁	PROPN
admet-532	150	9	−	−	PROPN
admet-532	150	10	1.03	1.03	NUM
admet-532	150	11	(	(	PUNCT
admet-532	150	12	7	7	NUM
admet-532	150	13	)	)	PUNCT
admet-532	150	14	br	br	NOUN
admet-532	150	15	analysis	analysis	NOUN
admet-532	150	16	showed	show	VERB
admet-532	150	17	that	that	SCONJ
admet-532	150	18	δlog	δlog	NOUN
admet-532	150	19	kw	kw	PROPN
admet-532	150	20	iam	iam	PROPN
admet-532	150	21	is	be	AUX
admet-532	150	22	a	a	DET
admet-532	150	23	clean	clean	ADJ
admet-532	150	24	polarity	polarity	NOUN
admet-532	150	25	descriptor	descriptor	NOUN
admet-532	150	26	since	since	SCONJ
admet-532	150	27	it	it	PRON
admet-532	150	28	is	be	AUX
admet-532	150	29	due	due	ADJ
admet-532	150	30	to	to	ADP
admet-532	150	31	both	both	CCONJ
admet-532	150	32	hbd	hbd	NOUN
admet-532	150	33	and	and	CCONJ
admet-532	150	34	hba	hba	NOUN
admet-532	150	35	properties	property	NOUN
admet-532	150	36	(	(	PUNCT
admet-532	150	37	fig	fig	NOUN
admet-532	150	38	.	.	PUNCT
admet-532	151	1	3d	3d	NUM
admet-532	151	2	)	)	PUNCT
admet-532	151	3	.	.	PUNCT
admet-532	152	1	[	[	X
admet-532	152	2	2	2	NUM
admet-532	152	3	]	]	SYM
admet-532	152	4	ermondi	ermondi	NOUN
admet-532	152	5	and	and	CCONJ
admet-532	152	6	caron	caron	PROPN
admet-532	152	7	admet	admet	PROPN
admet-532	152	8	&	&	CCONJ
admet-532	152	9	dmpk	dmpk	PROPN
admet-532	152	10	6(3	6(3	PROPN
admet-532	152	11	)	)	PUNCT
admet-532	152	12	(	(	PUNCT
admet-532	152	13	2018	2018	NUM
admet-532	152	14	)	)	PUNCT
admet-532	152	15	215	215	NUM
admet-532	152	16	-	-	SYM
admet-532	152	17	224	224	NUM
admet-532	152	18	222	222	NUM
admet-532	152	19	figure	figure	NOUN
admet-532	152	20	3	3	NUM
admet-532	152	21	.	.	PUNCT
admet-532	152	22	(	(	PUNCT
admet-532	152	23	a	a	X
admet-532	152	24	)	)	PUNCT
admet-532	152	25	blocks	block	NOUN
admet-532	152	26	color	color	NOUN
admet-532	152	27	codes	code	NOUN
admet-532	152	28	and	and	CCONJ
admet-532	152	29	significance	significance	NOUN
admet-532	152	30	to	to	PART
admet-532	152	31	help	help	VERB
admet-532	152	32	br	br	VERB
admet-532	152	33	graphical	graphical	ADJ
admet-532	152	34	output	output	NOUN
admet-532	152	35	interpretation	interpretation	NOUN
admet-532	152	36	.	.	PUNCT
admet-532	153	1	br	br	ADP
admet-532	153	2	analysis	analysis	NOUN
admet-532	153	3	graphical	graphical	ADJ
admet-532	153	4	output	output	NOUN
admet-532	153	5	for	for	ADP
admet-532	153	6	(	(	PUNCT
admet-532	153	7	b	b	NOUN
admet-532	153	8	)	)	PUNCT
admet-532	153	9	δlog	δlog	NOUN
admet-532	153	10	poct	poct	NOUN
admet-532	153	11	-	-	PUNCT
admet-532	153	12	tol.[6	tol.[6	NOUN
admet-532	153	13	]	]	X
admet-532	153	14	(	(	PUNCT
admet-532	153	15	c	c	X
admet-532	153	16	)	)	PUNCT
admet-532	153	17	epsa	epsa	NOUN
admet-532	154	1	[	[	X
admet-532	154	2	19	19	NUM
admet-532	154	3	]	]	PUNCT
admet-532	154	4	,	,	PUNCT
admet-532	154	5	(	(	PUNCT
admet-532	154	6	d	d	X
admet-532	154	7	)	)	PUNCT
admet-532	154	8	δlog	δlog	PROPN
admet-532	154	9	kw	kw	PROPN
admet-532	154	10	iam	iam	PROPN
admet-532	155	1	[	[	X
admet-532	155	2	2	2	NUM
admet-532	155	3	]	]	PUNCT
admet-532	155	4	since	since	SCONJ
admet-532	155	5	the	the	DET
admet-532	155	6	determination	determination	NOUN
admet-532	155	7	of	of	ADP
admet-532	155	8	experimental	experimental	ADJ
admet-532	155	9	polarity	polarity	NOUN
admet-532	155	10	is	be	AUX
admet-532	155	11	crucial	crucial	ADJ
admet-532	155	12	for	for	ADP
admet-532	155	13	large	large	ADJ
admet-532	155	14	and	and	CCONJ
admet-532	155	15	flexible	flexible	ADJ
admet-532	155	16	structures	structure	NOUN
admet-532	155	17	,	,	PUNCT
admet-532	155	18	δlog	δlog	NOUN
admet-532	155	19	poct	poct	NOUN
admet-532	155	20	-	-	PUNCT
admet-532	155	21	tol	tol	NOUN
admet-532	155	22	,	,	PUNCT
admet-532	155	23	epsa	epsa	NOUN
admet-532	155	24	and	and	CCONJ
admet-532	155	25	log	log	PROPN
admet-532	155	26	kw	kw	PROPN
admet-532	155	27	iam	iam	PROPN
admet-532	155	28	data	datum	NOUN
admet-532	155	29	was	be	AUX
admet-532	155	30	collected	collect	VERB
admet-532	155	31	for	for	ADP
admet-532	155	32	indinavir	indinavir	NOUN
admet-532	155	33	and	and	CCONJ
admet-532	155	34	nelfinavir	nelfinavir	PRON
admet-532	155	35	(	(	PUNCT
admet-532	155	36	structures	structure	NOUN
admet-532	155	37	and	and	CCONJ
admet-532	155	38	data	datum	NOUN
admet-532	155	39	in	in	ADP
admet-532	155	40	fig	fig	NOUN
admet-532	155	41	.	.	PUNCT
admet-532	156	1	4	4	NUM
admet-532	156	2	)	)	PUNCT
admet-532	156	3	.	.	PUNCT
admet-532	157	1	in	in	ADP
admet-532	157	2	a	a	DET
admet-532	157	3	previous	previous	ADJ
admet-532	157	4	study	study	NOUN
admet-532	157	5	it	it	PRON
admet-532	157	6	was	be	AUX
admet-532	157	7	shown	show	VERB
admet-532	157	8	that	that	SCONJ
admet-532	157	9	nelfinavir	nelfinavir	ADV
admet-532	157	10	has	have	VERB
admet-532	157	11	a	a	DET
admet-532	157	12	larger	large	ADJ
admet-532	157	13	propensity	propensity	NOUN
admet-532	157	14	to	to	PART
admet-532	157	15	form	form	VERB
admet-532	157	16	imhbs	imhbs	ADJ
admet-532	157	17	than	than	ADP
admet-532	157	18	indinavir	indinavir	NOUN
admet-532	158	1	[	[	X
admet-532	158	2	30	30	NUM
admet-532	158	3	]	]	PUNCT
admet-532	158	4	and	and	CCONJ
admet-532	158	5	thus	thus	ADV
admet-532	158	6	it	it	PRON
admet-532	158	7	was	be	AUX
admet-532	158	8	expected	expect	VERB
admet-532	158	9	that	that	SCONJ
admet-532	158	10	δlog	δlog	NOUN
admet-532	158	11	poct	poct	NOUN
admet-532	158	12	-	-	PUNCT
admet-532	158	13	tol	tol	NOUN
admet-532	158	14	,	,	PUNCT
admet-532	158	15	epsa	epsa	NOUN
admet-532	158	16	and	and	CCONJ
admet-532	158	17	log	log	PROPN
admet-532	158	18	kw	kw	PROPN
admet-532	158	19	iam	iam	PROPN
admet-532	158	20	of	of	ADP
admet-532	158	21	nelfinavir	nelfinavir	ADV
admet-532	158	22	are	be	AUX
admet-532	158	23	smaller	small	ADJ
admet-532	158	24	than	than	ADP
admet-532	158	25	the	the	DET
admet-532	158	26	correspondent	correspondent	NOUN
admet-532	158	27	values	value	NOUN
admet-532	158	28	determined	determine	VERB
admet-532	158	29	for	for	ADP
admet-532	158	30	indinavir	indinavir	NOUN
admet-532	158	31	.	.	PUNCT
admet-532	159	1	this	this	PRON
admet-532	159	2	was	be	AUX
admet-532	159	3	verified	verify	VERB
admet-532	159	4	for	for	ADP
admet-532	159	5	δlog	δlog	NOUN
admet-532	159	6	poct	poct	NOUN
admet-532	159	7	-	-	PUNCT
admet-532	159	8	tol	tol	NOUN
admet-532	159	9	and	and	CCONJ
admet-532	159	10	log	log	PROPN
admet-532	159	11	kw	kw	PROPN
admet-532	159	12	iam	iam	PROPN
admet-532	159	13	but	but	CCONJ
admet-532	159	14	not	not	PART
admet-532	159	15	for	for	ADP
admet-532	159	16	epsa	epsa	NOUN
admet-532	159	17	,	,	PUNCT
admet-532	159	18	which	which	PRON
admet-532	159	19	fails	fail	VERB
admet-532	159	20	in	in	ADP
admet-532	159	21	ranking	rank	VERB
admet-532	159	22	the	the	DET
admet-532	159	23	polarity	polarity	NOUN
admet-532	159	24	of	of	ADP
admet-532	159	25	the	the	DET
admet-532	159	26	two	two	NUM
admet-532	159	27	protease	protease	NOUN
admet-532	159	28	inhibitors	inhibitor	NOUN
admet-532	159	29	;	;	PUNCT
admet-532	159	30	probably	probably	ADV
admet-532	159	31	because	because	SCONJ
admet-532	159	32	of	of	ADP
admet-532	159	33	the	the	DET
admet-532	159	34	high	high	ADJ
admet-532	159	35	and	and	CCONJ
admet-532	159	36	different	different	ADJ
admet-532	159	37	number	number	NOUN
admet-532	159	38	of	of	ADP
admet-532	159	39	hba	hba	NOUN
admet-532	159	40	groups	group	NOUN
admet-532	159	41	present	present	ADJ
admet-532	159	42	in	in	ADP
admet-532	159	43	the	the	DET
admet-532	159	44	structures	structure	NOUN
admet-532	159	45	.	.	PUNCT
admet-532	160	1	figure	figure	VERB
admet-532	160	2	4	4	NUM
admet-532	160	3	.	.	NOUN
admet-532	160	4	indinavir	indinavir	PROPN
admet-532	160	5	and	and	CCONJ
admet-532	160	6	nelfinavir	nelfinavir	PROPN
admet-532	160	7	:	:	PUNCT
admet-532	160	8	comparison	comparison	NOUN
admet-532	160	9	of	of	ADP
admet-532	160	10	their	their	PRON
admet-532	160	11	physicochemical	physicochemical	ADJ
admet-532	160	12	profile	profile	NOUN
admet-532	160	13	(	(	PUNCT
admet-532	160	14	in	in	ADP
admet-532	160	15	bold	bold	NOUN
admet-532	160	16	the	the	DET
admet-532	160	17	polarity	polarity	NOUN
admet-532	160	18	descriptors	descriptor	NOUN
admet-532	160	19	discussed	discuss	VERB
admet-532	160	20	in	in	ADP
admet-532	160	21	the	the	DET
admet-532	160	22	text	text	NOUN
admet-532	160	23	)	)	PUNCT
admet-532	160	24	admet	admet	PROPN
admet-532	160	25	&	&	CCONJ
admet-532	160	26	dmpk	dmpk	PROPN
admet-532	160	27	6(3	6(3	PROPN
admet-532	160	28	)	)	PUNCT
admet-532	160	29	(	(	PUNCT
admet-532	160	30	2018	2018	NUM
admet-532	160	31	)	)	PUNCT
admet-532	160	32	215	215	NUM
admet-532	160	33	-	-	SYM
admet-532	160	34	224	224	NUM
admet-532	160	35	block	block	NOUN
admet-532	160	36	relevance	relevance	NOUN
admet-532	160	37	analysis	analysis	NOUN
admet-532	160	38	in	in	ADP
admet-532	160	39	property	property	NOUN
admet-532	160	40	-	-	PUNCT
admet-532	160	41	based	base	VERB
admet-532	160	42	drug	drug	NOUN
admet-532	160	43	design	design	NOUN
admet-532	160	44	doi	doi	NOUN
admet-532	160	45	:	:	PUNCT
admet-532	160	46	10.5599	10.5599	NUM
admet-532	160	47	/	/	SYM
admet-532	160	48	admet.532	admet.532	PROPN
admet-532	160	49	223	223	NUM
admet-532	160	50	conclusions	conclusion	NOUN
admet-532	160	51	the	the	DET
admet-532	160	52	design	design	NOUN
admet-532	160	53	of	of	ADP
admet-532	160	54	drug	drug	NOUN
admet-532	160	55	candidates	candidate	NOUN
admet-532	160	56	with	with	ADP
admet-532	160	57	the	the	DET
admet-532	160	58	right	right	ADJ
admet-532	160	59	balance	balance	NOUN
admet-532	160	60	of	of	ADP
admet-532	160	61	physicochemical	physicochemical	ADJ
admet-532	160	62	properties	property	NOUN
admet-532	160	63	(	(	PUNCT
admet-532	160	64	property	property	NOUN
admet-532	160	65	-	-	PUNCT
admet-532	160	66	based	base	VERB
admet-532	160	67	drug	drug	NOUN
admet-532	160	68	design	design	NOUN
admet-532	160	69	)	)	PUNCT
admet-532	160	70	calls	call	VERB
admet-532	160	71	for	for	ADP
admet-532	160	72	a	a	DET
admet-532	160	73	tool	tool	NOUN
admet-532	160	74	like	like	ADP
admet-532	160	75	the	the	DET
admet-532	160	76	block	block	NOUN
admet-532	160	77	relevance	relevance	NOUN
admet-532	160	78	(	(	PUNCT
admet-532	160	79	br	br	NOUN
admet-532	160	80	)	)	PUNCT
admet-532	160	81	analysis	analysis	NOUN
admet-532	160	82	which	which	PRON
admet-532	160	83	can	can	AUX
admet-532	160	84	interpret	interpret	VERB
admet-532	160	85	qspr	qspr	PROPN
admet-532	160	86	/	/	SYM
admet-532	160	87	pls	pls	NOUN
admet-532	160	88	models	model	NOUN
admet-532	160	89	and	and	CCONJ
admet-532	160	90	provide	provide	VERB
admet-532	160	91	an	an	DET
admet-532	160	92	easy	easy	ADJ
admet-532	160	93	-	-	PUNCT
admet-532	160	94	to	to	AUX
admet-532	160	95	-	-	PUNCT
admet-532	160	96	read	read	VERB
admet-532	160	97	map	map	NOUN
admet-532	160	98	of	of	ADP
admet-532	160	99	the	the	DET
admet-532	160	100	information	information	NOUN
admet-532	160	101	content	content	NOUN
admet-532	160	102	of	of	ADP
admet-532	160	103	any	any	DET
admet-532	160	104	experimental	experimental	ADJ
admet-532	160	105	molecular	molecular	ADJ
admet-532	160	106	descriptor	descriptor	NOUN
admet-532	160	107	.	.	PUNCT
admet-532	161	1	up	up	ADP
admet-532	161	2	to	to	ADP
admet-532	161	3	now	now	ADV
admet-532	161	4	br	br	VERB
admet-532	161	5	analysis	analysis	NOUN
admet-532	161	6	has	have	AUX
admet-532	161	7	been	be	AUX
admet-532	161	8	applied	apply	VERB
admet-532	161	9	to	to	ADP
admet-532	161	10	about	about	ADV
admet-532	161	11	30	30	NUM
admet-532	161	12	molecular	molecular	ADJ
admet-532	161	13	descriptors	descriptor	NOUN
admet-532	161	14	mostly	mostly	ADV
admet-532	161	15	related	relate	VERB
admet-532	161	16	to	to	ADP
admet-532	161	17	lipophilicity	lipophilicity	NOUN
admet-532	161	18	,	,	PUNCT
admet-532	161	19	polarity	polarity	NOUN
admet-532	161	20	and	and	CCONJ
admet-532	161	21	permeability	permeability	NOUN
admet-532	161	22	and	and	CCONJ
admet-532	161	23	some	some	PRON
admet-532	161	24	of	of	ADP
admet-532	161	25	these	these	DET
admet-532	161	26	applications	application	NOUN
admet-532	161	27	were	be	AUX
admet-532	161	28	the	the	DET
admet-532	161	29	outcome	outcome	NOUN
admet-532	161	30	of	of	ADP
admet-532	161	31	a	a	DET
admet-532	161	32	collaboration	collaboration	NOUN
admet-532	161	33	with	with	ADP
admet-532	161	34	scientists	scientist	NOUN
admet-532	161	35	in	in	ADP
admet-532	161	36	pfizer	pfizer	NOUN
admet-532	161	37	(	(	PUNCT
admet-532	161	38	groton	groton	PROPN
admet-532	161	39	,	,	PUNCT
admet-532	161	40	ct	ct	PROPN
admet-532	161	41	,	,	PUNCT
admet-532	161	42	usa	usa	PROPN
admet-532	161	43	)	)	PUNCT
admet-532	161	44	.	.	PUNCT
admet-532	162	1	in	in	ADP
admet-532	162	2	this	this	DET
admet-532	162	3	publication	publication	NOUN
admet-532	162	4	,	,	PUNCT
admet-532	162	5	after	after	ADP
admet-532	162	6	reviewing	review	VERB
admet-532	162	7	some	some	DET
admet-532	162	8	basic	basic	ADJ
admet-532	162	9	concepts	concept	NOUN
admet-532	162	10	of	of	ADP
admet-532	162	11	qspr	qspr	NOUN
admet-532	162	12	and	and	CCONJ
admet-532	162	13	the	the	DET
admet-532	162	14	br	br	NOUN
admet-532	162	15	analysis	analysis	NOUN
admet-532	162	16	methodology	methodology	NOUN
admet-532	162	17	,	,	PUNCT
admet-532	162	18	we	we	PRON
admet-532	162	19	have	have	VERB
admet-532	162	20	showen	showen	VERB
admet-532	162	21	how	how	SCONJ
admet-532	162	22	br	br	NOUN
admet-532	162	23	analysis	analysis	NOUN
admet-532	162	24	can	can	AUX
admet-532	162	25	identify	identify	VERB
admet-532	162	26	the	the	DET
admet-532	162	27	different	different	ADJ
admet-532	162	28	features	feature	NOUN
admet-532	162	29	of	of	ADP
admet-532	162	30	three	three	NUM
admet-532	162	31	polarity	polarity	NOUN
admet-532	162	32	descriptors	descriptor	NOUN
admet-532	162	33	(	(	PUNCT
admet-532	162	34	log	log	NOUN
admet-532	162	35	poct	poct	NOUN
admet-532	162	36	-	-	PUNCT
admet-532	162	37	tol	tol	NOUN
admet-532	162	38	,	,	PUNCT
admet-532	162	39	epsa	epsa	NOUN
admet-532	162	40	and	and	CCONJ
admet-532	162	41	log	log	PROPN
admet-532	162	42	kw	kw	PROPN
admet-532	162	43	iam	iam	PROPN
admet-532	162	44	)	)	PUNCT
admet-532	162	45	and	and	CCONJ
admet-532	162	46	thus	thus	ADV
admet-532	162	47	help	help	VERB
admet-532	162	48	to	to	PART
admet-532	162	49	define	define	VERB
admet-532	162	50	their	their	PRON
admet-532	162	51	applicability	applicability	NOUN
admet-532	162	52	domain	domain	NOUN
admet-532	162	53	.	.	PUNCT
admet-532	163	1	in	in	ADP
admet-532	163	2	the	the	DET
admet-532	163	3	near	near	ADJ
admet-532	163	4	future	future	NOUN
admet-532	163	5	,	,	PUNCT
admet-532	163	6	we	we	PRON
admet-532	163	7	plan	plan	VERB
admet-532	163	8	to	to	PART
admet-532	163	9	apply	apply	VERB
admet-532	163	10	br	br	NOUN
admet-532	163	11	analysis	analysis	NOUN
admet-532	163	12	to	to	ADP
admet-532	163	13	molecular	molecular	ADJ
admet-532	163	14	determinants	determinant	NOUN
admet-532	163	15	obtained	obtain	VERB
admet-532	163	16	through	through	ADP
admet-532	163	17	biomimetic	biomimetic	ADJ
admet-532	163	18	chromatography	chromatography	NOUN
admet-532	163	19	and	and	CCONJ
admet-532	163	20	biophysical	biophysical	ADJ
admet-532	163	21	methods	method	NOUN
admet-532	163	22	for	for	ADP
admet-532	163	23	adme	adme	NOUN
admet-532	163	24	-	-	PUNCT
admet-532	163	25	related	relate	VERB
admet-532	163	26	protein	protein	NOUN
admet-532	163	27	-	-	PUNCT
admet-532	163	28	ligand	ligand	NOUN
admet-532	163	29	interactions	interaction	NOUN
admet-532	163	30	.	.	PUNCT
admet-532	164	1	to	to	PART
admet-532	164	2	further	far	ADV
admet-532	164	3	improve	improve	VERB
admet-532	164	4	the	the	DET
admet-532	164	5	potential	potential	NOUN
admet-532	164	6	of	of	ADP
admet-532	164	7	br	br	NOUN
admet-532	164	8	analysis	analysis	NOUN
admet-532	164	9	,	,	PUNCT
admet-532	164	10	the	the	DET
admet-532	164	11	implementation	implementation	NOUN
admet-532	164	12	of	of	ADP
admet-532	164	13	new	new	ADJ
admet-532	164	14	sets	set	NOUN
admet-532	164	15	of	of	ADP
admet-532	164	16	descriptors	descriptor	NOUN
admet-532	164	17	are	be	AUX
admet-532	164	18	in	in	ADP
admet-532	164	19	course	course	NOUN
admet-532	164	20	of	of	ADP
admet-532	164	21	study	study	NOUN
admet-532	164	22	in	in	ADP
admet-532	164	23	our	our	PRON
admet-532	164	24	laboratories	laboratory	NOUN
admet-532	164	25	.	.	PUNCT
admet-532	165	1	acknowledgements	acknowledgement	NOUN
admet-532	165	2	:	:	PUNCT
admet-532	166	1	we	we	PRON
admet-532	166	2	thank	thank	VERB
admet-532	166	3	gilles	gilles	PROPN
admet-532	166	4	goetz	goetz	PROPN
admet-532	166	5	(	(	PUNCT
admet-532	166	6	pfizer	pfizer	PROPN
admet-532	166	7	,	,	PUNCT
admet-532	166	8	groton	groton	PROPN
admet-532	166	9	,	,	PUNCT
admet-532	166	10	ct	ct	PROPN
admet-532	166	11	,	,	PUNCT
admet-532	166	12	usa	usa	PROPN
admet-532	166	13	)	)	PUNCT
admet-532	166	14	for	for	ADP
admet-532	166	15	providing	provide	VERB
admet-532	166	16	epsa	epsa	NOUN
admet-532	166	17	values	value	NOUN
admet-532	166	18	for	for	ADP
admet-532	166	19	indinavir	indinavir	NOUN
admet-532	166	20	and	and	CCONJ
admet-532	166	21	nelfinavir	nelfinavir	PROPN
admet-532	166	22	.	.	PUNCT
admet-532	167	1	references	reference	NOUN
admet-532	167	2	[	[	X
admet-532	167	3	1	1	NUM
admet-532	167	4	]	]	PUNCT
admet-532	167	5	k.	k.	PROPN
admet-532	167	6	valko	valko	PROPN
admet-532	167	7	,	,	PUNCT
admet-532	167	8	physicochemical	physicochemical	ADJ
admet-532	167	9	and	and	CCONJ
admet-532	167	10	biomimetic	biomimetic	ADJ
admet-532	167	11	properties	property	NOUN
admet-532	167	12	in	in	ADP
admet-532	167	13	drug	drug	NOUN
admet-532	167	14	discovery	discovery	NOUN
admet-532	167	15	,	,	PUNCT
admet-532	167	16	john	john	PROPN
admet-532	167	17	wiley	wiley	PROPN
admet-532	167	18	&	&	CCONJ
admet-532	167	19	sons	sons	PROPN
admet-532	167	20	,	,	PUNCT
admet-532	167	21	hoboken	hoboken	PROPN
admet-532	167	22	,	,	PUNCT
admet-532	167	23	n.j	n.j	PROPN
admet-532	167	24	.	.	PROPN
admet-532	167	25	,usa	,usa	PROPN
admet-532	167	26	,	,	PUNCT
admet-532	167	27	2014	2014	NUM
admet-532	167	28	.	.	PUNCT
admet-532	168	1	[	[	X
admet-532	168	2	2	2	NUM
admet-532	168	3	]	]	X
admet-532	168	4	g.	g.	NOUN
admet-532	168	5	ermondi	ermondi	PROPN
admet-532	168	6	,	,	PUNCT
admet-532	168	7	m.	m.	NOUN
admet-532	168	8	vallaro	vallaro	NOUN
admet-532	168	9	,	,	PUNCT
admet-532	168	10	g.	g.	PROPN
admet-532	168	11	caron	caron	PROPN
admet-532	168	12	,	,	PUNCT
admet-532	168	13	learning	learn	VERB
admet-532	168	14	how	how	SCONJ
admet-532	168	15	to	to	PART
admet-532	168	16	use	use	VERB
admet-532	168	17	iam	iam	PROPN
admet-532	168	18	chromatography	chromatography	NOUN
admet-532	168	19	for	for	ADP
admet-532	168	20	predicting	predict	VERB
admet-532	168	21	permeability	permeability	NOUN
admet-532	168	22	.	.	PUNCT
admet-532	169	1	eur	eur	PROPN
admet-532	169	2	.	.	PUNCT
admet-532	170	1	j.	j.	PROPN
admet-532	170	2	pharm	pharm	PROPN
admet-532	170	3	.	.	PUNCT
admet-532	171	1	sci	sci	PROPN
admet-532	171	2	.	.	PROPN
admet-532	172	1	114	114	NUM
admet-532	172	2	(	(	PUNCT
admet-532	172	3	2018	2018	NUM
admet-532	172	4	)	)	PUNCT
admet-532	173	1	385–390	385–390	NUM
admet-532	173	2	.	.	PUNCT
admet-532	174	1	[	[	X
admet-532	174	2	3	3	X
admet-532	174	3	]	]	X
admet-532	174	4	m.h	m.h	PROPN
admet-532	174	5	.	.	PROPN
admet-532	174	6	abraham	abraham	PROPN
admet-532	174	7	,	,	PUNCT
admet-532	174	8	hydrogen	hydrogen	NOUN
admet-532	174	9	bonding	bonding	NOUN
admet-532	174	10	.	.	PUNCT
admet-532	175	1	31	31	NUM
admet-532	175	2	.	.	PUNCT
admet-532	176	1	construction	construction	NOUN
admet-532	176	2	of	of	ADP
admet-532	176	3	a	a	DET
admet-532	176	4	scale	scale	NOUN
admet-532	176	5	of	of	ADP
admet-532	176	6	solute	solute	NOUN
admet-532	176	7	effective	effective	ADJ
admet-532	176	8	or	or	CCONJ
admet-532	176	9	summation	summation	ADJ
admet-532	176	10	hydrogen	hydrogen	NOUN
admet-532	176	11	-	-	PUNCT
admet-532	176	12	bond	bond	NOUN
admet-532	176	13	basicity	basicity	NOUN
admet-532	176	14	.	.	PUNCT
admet-532	177	1	j.	j.	PROPN
admet-532	177	2	phys	phys	PROPN
admet-532	177	3	.	.	PUNCT
admet-532	178	1	org	org	PROPN
admet-532	178	2	.	.	PUNCT
admet-532	178	3	chem	chem	PROPN
admet-532	178	4	.	.	PUNCT
admet-532	179	1	6	6	NUM
admet-532	179	2	(	(	PUNCT
admet-532	179	3	1993	1993	NUM
admet-532	179	4	)	)	PUNCT
admet-532	180	1	660–684	660–684	NUM
admet-532	180	2	.	.	PUNCT
admet-532	181	1	[	[	X
admet-532	181	2	4	4	X
admet-532	181	3	]	]	X
admet-532	181	4	m.h	m.h	PROPN
admet-532	181	5	.	.	PROPN
admet-532	181	6	abraham	abraham	PROPN
admet-532	181	7	,	,	PUNCT
admet-532	181	8	h.s	h.s	PROPN
admet-532	181	9	.	.	PROPN
admet-532	181	10	chadha	chadha	PROPN
admet-532	181	11	,	,	PUNCT
admet-532	181	12	r.	r.	PROPN
admet-532	181	13	leitao	leitao	PROPN
admet-532	181	14	,	,	PUNCT
admet-532	181	15	r.c	r.c	PROPN
admet-532	181	16	.	.	PROPN
admet-532	181	17	mitchell	mitchell	PROPN
admet-532	181	18	,	,	PUNCT
admet-532	181	19	w.j	w.j	PROPN
admet-532	181	20	.	.	PROPN
admet-532	181	21	lambert	lambert	PROPN
admet-532	181	22	,	,	PUNCT
admet-532	181	23	r.	r.	PROPN
admet-532	181	24	kaliszan	kaliszan	PROPN
admet-532	181	25	,	,	PUNCT
admet-532	181	26	a.	a.	NOUN
admet-532	181	27	nasal	nasal	PROPN
admet-532	181	28	,	,	PUNCT
admet-532	181	29	p.	p.	PROPN
admet-532	181	30	haber	haber	PROPN
admet-532	181	31	,	,	PUNCT
admet-532	181	32	determination	determination	NOUN
admet-532	181	33	of	of	ADP
admet-532	181	34	solute	solute	ADJ
admet-532	181	35	lipophilicity	lipophilicity	NOUN
admet-532	181	36	,	,	PUNCT
admet-532	181	37	as	as	SCONJ
admet-532	181	38	log	log	NOUN
admet-532	181	39	p(octanol	p(octanol	NOUN
admet-532	181	40	)	)	PUNCT
admet-532	181	41	and	and	CCONJ
admet-532	181	42	log	log	VERB
admet-532	181	43	p(alkane	p(alkane	NOUN
admet-532	181	44	)	)	PUNCT
admet-532	181	45	using	use	VERB
admet-532	181	46	poly(styrene	poly(styrene	PROPN
admet-532	181	47	–	–	PUNCT
admet-532	181	48	divinylbenzene	divinylbenzene	NOUN
admet-532	181	49	)	)	PUNCT
admet-532	181	50	and	and	CCONJ
admet-532	181	51	immobilised	immobilise	VERB
admet-532	181	52	artificial	artificial	ADJ
admet-532	181	53	membrane	membrane	NOUN
admet-532	181	54	stationary	stationary	ADJ
admet-532	181	55	phases	phase	NOUN
admet-532	181	56	in	in	ADP
admet-532	181	57	reversed	reverse	VERB
admet-532	181	58	-	-	PUNCT
admet-532	181	59	phase	phase	NOUN
admet-532	181	60	highperformance	highperformance	NOUN
admet-532	181	61	liquid	liquid	NOUN
admet-532	181	62	chromatography	chromatography	NOUN
admet-532	181	63	.	.	PUNCT
admet-532	182	1	j.	j.	PROPN
admet-532	182	2	chromatogr	chromatogr	PROPN
admet-532	182	3	.	.	PUNCT
admet-532	183	1	a	a	DET
admet-532	183	2	766	766	NUM
admet-532	183	3	(	(	PUNCT
admet-532	183	4	1997	1997	NUM
admet-532	183	5	)	)	PUNCT
admet-532	183	6	35–47	35–47	NOUN
admet-532	183	7	.	.	PUNCT
admet-532	184	1	[	[	X
admet-532	184	2	5	5	NUM
admet-532	184	3	]	]	X
admet-532	184	4	g.	g.	NOUN
admet-532	184	5	ermondi	ermondi	PROPN
admet-532	184	6	,	,	PUNCT
admet-532	184	7	g.	g.	PROPN
admet-532	184	8	caron	caron	PROPN
admet-532	184	9	,	,	PUNCT
admet-532	184	10	molecular	molecular	ADJ
admet-532	184	11	interaction	interaction	NOUN
admet-532	184	12	fields	field	NOUN
admet-532	184	13	based	base	VERB
admet-532	184	14	descriptors	descriptor	NOUN
admet-532	184	15	to	to	PART
admet-532	184	16	interpret	interpret	VERB
admet-532	184	17	and	and	CCONJ
admet-532	184	18	compare	compare	VERB
admet-532	184	19	chromatographic	chromatographic	ADJ
admet-532	184	20	indexes	index	NOUN
admet-532	184	21	.	.	PUNCT
admet-532	185	1	j.	j.	PROPN
admet-532	185	2	chromatogr	chromatogr	PROPN
admet-532	185	3	.	.	PUNCT
admet-532	186	1	a	a	DET
admet-532	186	2	1252	1252	NUM
admet-532	186	3	(	(	PUNCT
admet-532	186	4	2012	2012	NUM
admet-532	186	5	)	)	PUNCT
admet-532	186	6	84	84	NUM
admet-532	186	7	-	-	SYM
admet-532	186	8	89	89	NUM
admet-532	186	9	.	.	PUNCT
admet-532	187	1	[	[	X
admet-532	187	2	6	6	NUM
admet-532	187	3	]	]	X
admet-532	187	4	g.	g.	NOUN
admet-532	187	5	ermondi	ermondi	PROPN
admet-532	187	6	,	,	PUNCT
admet-532	187	7	a.	a.	PROPN
admet-532	187	8	visconti	visconti	PROPN
admet-532	187	9	,	,	PUNCT
admet-532	187	10	r.	r.	PROPN
admet-532	187	11	esposito	esposito	PROPN
admet-532	187	12	,	,	PUNCT
admet-532	187	13	g.	g.	PROPN
admet-532	187	14	caron	caron	PROPN
admet-532	187	15	,	,	PUNCT
admet-532	187	16	the	the	DET
admet-532	187	17	block	block	NOUN
admet-532	187	18	relevance	relevance	NOUN
admet-532	187	19	(	(	PUNCT
admet-532	187	20	br	br	NOUN
admet-532	187	21	)	)	PUNCT
admet-532	187	22	analysis	analysis	NOUN
admet-532	187	23	supports	support	VERB
admet-532	187	24	the	the	DET
admet-532	187	25	dominating	dominating	NOUN
admet-532	187	26	effect	effect	NOUN
admet-532	187	27	of	of	ADP
admet-532	187	28	solutes	solute	NOUN
admet-532	187	29	hydrogen	hydrogen	NOUN
admet-532	187	30	bond	bond	NOUN
admet-532	187	31	acidity	acidity	NOUN
admet-532	187	32	on	on	ADP
admet-532	187	33	δlogp(oct	δlogp(oct	NOUN
admet-532	187	34	-	-	PUNCT
admet-532	187	35	tol	tol	NOUN
admet-532	187	36	)	)	PUNCT
admet-532	187	37	.	.	PUNCT
admet-532	188	1	eur	eur	PROPN
admet-532	188	2	.	.	PUNCT
admet-532	189	1	j.	j.	PROPN
admet-532	189	2	pharm	pharm	PROPN
admet-532	189	3	.	.	PUNCT
admet-532	190	1	sci	sci	PROPN
admet-532	190	2	.	.	PROPN
admet-532	191	1	53	53	NUM
admet-532	191	2	(	(	PUNCT
admet-532	191	3	2014	2014	NUM
admet-532	191	4	)	)	PUNCT
admet-532	191	5	50–54	50–54	NUM
admet-532	191	6	.	.	PUNCT
admet-532	192	1	[	[	X
admet-532	192	2	7	7	X
admet-532	192	3	]	]	X
admet-532	192	4	g.	g.	PROPN
admet-532	192	5	caron	caron	PROPN
admet-532	192	6	,	,	PUNCT
admet-532	192	7	m.	m.	NOUN
admet-532	192	8	vallaro	vallaro	NOUN
admet-532	192	9	,	,	PUNCT
admet-532	192	10	g.	g.	PROPN
admet-532	192	11	ermondi	ermondi	PROPN
admet-532	192	12	,	,	PUNCT
admet-532	192	13	the	the	DET
admet-532	192	14	block	block	NOUN
admet-532	192	15	relevance	relevance	NOUN
admet-532	192	16	(	(	PUNCT
admet-532	192	17	br	br	NOUN
admet-532	192	18	)	)	PUNCT
admet-532	192	19	analysis	analysis	NOUN
admet-532	192	20	to	to	PART
admet-532	192	21	aid	aid	VERB
admet-532	192	22	medicinal	medicinal	ADJ
admet-532	192	23	chemists	chemist	NOUN
admet-532	192	24	to	to	PART
admet-532	192	25	determine	determine	VERB
admet-532	192	26	and	and	CCONJ
admet-532	192	27	interpret	interpret	VERB
admet-532	192	28	lipophilicity	lipophilicity	NOUN
admet-532	192	29	.	.	PUNCT
admet-532	193	1	med	med	PROPN
admet-532	193	2	.	.	PROPN
admet-532	193	3	chem	chem	PROPN
admet-532	193	4	.	.	PUNCT
admet-532	194	1	commun	commun	PROPN
admet-532	194	2	.	.	PUNCT
admet-532	195	1	4	4	NUM
admet-532	195	2	(	(	PUNCT
admet-532	195	3	2013	2013	NUM
admet-532	195	4	)	)	PUNCT
admet-532	195	5	1376	1376	NUM
admet-532	195	6	-	-	SYM
admet-532	195	7	1381	1381	NUM
admet-532	195	8	.	.	PUNCT
admet-532	196	1	[	[	X
admet-532	196	2	8	8	NUM
admet-532	196	3	]	]	X
admet-532	196	4	a.r	a.r	PROPN
admet-532	196	5	.	.	PROPN
admet-532	196	6	katritzky	katritzky	PROPN
admet-532	196	7	,	,	PUNCT
admet-532	196	8	m.	m.	PROPN
admet-532	196	9	kuanar	kuanar	PROPN
admet-532	196	10	,	,	PUNCT
admet-532	196	11	s.	s.	PROPN
admet-532	196	12	slavov	slavov	PROPN
admet-532	196	13	,	,	PUNCT
admet-532	196	14	c.d	c.d	PROPN
admet-532	196	15	.	.	PROPN
admet-532	196	16	hall	hall	PROPN
admet-532	196	17	,	,	PUNCT
admet-532	196	18	m.	m.	PROPN
admet-532	196	19	karelson	karelson	PROPN
admet-532	196	20	,	,	PUNCT
admet-532	196	21	i.	i.	PROPN
admet-532	196	22	kahn	kahn	PROPN
admet-532	196	23	,	,	PUNCT
admet-532	196	24	d.a	d.a	PROPN
admet-532	196	25	.	.	PROPN
admet-532	196	26	dobchev	dobchev	PROPN
admet-532	196	27	,	,	PUNCT
admet-532	196	28	quantitative	quantitative	ADJ
admet-532	196	29	correlation	correlation	NOUN
admet-532	196	30	of	of	ADP
admet-532	196	31	physical	physical	ADJ
admet-532	196	32	and	and	CCONJ
admet-532	196	33	chemical	chemical	NOUN
admet-532	196	34	properties	property	NOUN
admet-532	196	35	with	with	ADP
admet-532	196	36	chemical	chemical	ADJ
admet-532	196	37	structure	structure	NOUN
admet-532	196	38	:	:	PUNCT
admet-532	196	39	utility	utility	NOUN
admet-532	196	40	for	for	ADP
admet-532	196	41	prediction	prediction	NOUN
admet-532	196	42	,	,	PUNCT
admet-532	196	43	chem	chem	NOUN
admet-532	196	44	.	.	PUNCT
admet-532	197	1	rev	rev	PROPN
admet-532	197	2	.	.	PROPN
admet-532	198	1	110	110	NUM
admet-532	198	2	(	(	PUNCT
admet-532	198	3	2010	2010	NUM
admet-532	198	4	)	)	PUNCT
admet-532	199	1	5714–5789	5714–5789	NUM
admet-532	199	2	.	.	PUNCT
admet-532	200	1	[	[	X
admet-532	200	2	9	9	NUM
admet-532	200	3	]	]	X
admet-532	200	4	r.	r.	PROPN
admet-532	200	5	todeschini	todeschini	PROPN
admet-532	200	6	,	,	PUNCT
admet-532	200	7	v.	v.	PROPN
admet-532	200	8	consonni	consonni	PROPN
admet-532	200	9	,	,	PUNCT
admet-532	200	10	handbook	handbook	NOUN
admet-532	200	11	of	of	ADP
admet-532	200	12	molecular	molecular	ADJ
admet-532	200	13	descriptors	descriptor	NOUN
admet-532	200	14	,	,	PUNCT
admet-532	200	15	wiley	wiley	PROPN
admet-532	200	16	-	-	PUNCT
admet-532	200	17	vch	vch	PROPN
admet-532	200	18	verlag	verlag	PROPN
admet-532	200	19	gmbh	gmbh	PROPN
admet-532	200	20	&	&	CCONJ
admet-532	200	21	co.	co.	PROPN
admet-532	200	22	kgaa	kgaa	PROPN
admet-532	200	23	,	,	PUNCT
admet-532	200	24	weinheim	weinheim	PROPN
admet-532	200	25	,	,	PUNCT
admet-532	200	26	2008	2008	NUM
admet-532	200	27	.	.	PUNCT
admet-532	201	1	[	[	X
admet-532	201	2	10	10	NUM
admet-532	201	3	]	]	X
admet-532	201	4	d.j	d.j	PROPN
admet-532	201	5	.	.	PROPN
admet-532	201	6	livingstone	livingstone	PROPN
admet-532	201	7	,	,	PUNCT
admet-532	201	8	the	the	DET
admet-532	201	9	characterization	characterization	NOUN
admet-532	201	10	of	of	ADP
admet-532	201	11	chemical	chemical	NOUN
admet-532	201	12	structures	structure	NOUN
admet-532	201	13	using	use	VERB
admet-532	201	14	molecular	molecular	ADJ
admet-532	201	15	properties	property	NOUN
admet-532	201	16	.	.	PUNCT
admet-532	202	1	a	a	DET
admet-532	202	2	survey	survey	NOUN
admet-532	202	3	.	.	PUNCT
admet-532	203	1	j.	j.	PROPN
admet-532	203	2	chem	chem	PROPN
admet-532	203	3	.	.	PUNCT
admet-532	204	1	inf	inf	PROPN
admet-532	204	2	.	.	PUNCT
admet-532	204	3	comput	comput	PROPN
admet-532	204	4	.	.	PUNCT
admet-532	205	1	sci	sci	PROPN
admet-532	205	2	.	.	PROPN
admet-532	205	3	40	40	NUM
admet-532	205	4	(	(	PUNCT
admet-532	205	5	2000	2000	NUM
admet-532	205	6	)	)	PUNCT
admet-532	206	1	195–209	195–209	NUM
admet-532	206	2	.	.	PUNCT
admet-532	207	1	[	[	X
admet-532	207	2	11	11	NUM
admet-532	207	3	]	]	X
admet-532	207	4	g.	g.	PROPN
admet-532	207	5	cruciani	cruciani	PROPN
admet-532	207	6	,	,	PUNCT
admet-532	207	7	p.	p.	NOUN
admet-532	207	8	crivori	crivori	PROPN
admet-532	207	9	,	,	PUNCT
admet-532	207	10	p.a	p.a	PROPN
admet-532	207	11	.	.	PROPN
admet-532	207	12	carrupt	carrupt	PROPN
admet-532	207	13	,	,	PUNCT
admet-532	207	14	b.	b.	PROPN
admet-532	207	15	testa	testa	PROPN
admet-532	207	16	,	,	PUNCT
admet-532	207	17	molecular	molecular	ADJ
admet-532	207	18	fields	field	NOUN
admet-532	207	19	in	in	ADP
admet-532	207	20	quantitative	quantitative	ADJ
admet-532	207	21	structure	structure	NOUN
admet-532	207	22	-	-	PUNCT
admet-532	207	23	permeation	permeation	NOUN
admet-532	207	24	relationships	relationship	NOUN
admet-532	207	25	:	:	PUNCT
admet-532	207	26	the	the	DET
admet-532	207	27	volsurf	volsurf	PROPN
admet-532	207	28	approach	approach	NOUN
admet-532	207	29	.	.	PUNCT
admet-532	208	1	j.	j.	PROPN
admet-532	208	2	mol	mol	PROPN
admet-532	208	3	.	.	PROPN
admet-532	208	4	struct	struct	NOUN
admet-532	208	5	.	.	PUNCT
admet-532	209	1	(	(	PUNCT
admet-532	209	2	theochem	theochem	NOUN
admet-532	209	3	)	)	PUNCT
admet-532	209	4	503	503	NUM
admet-532	209	5	(	(	PUNCT
admet-532	209	6	2000	2000	NUM
admet-532	209	7	)	)	PUNCT
admet-532	209	8	17–30	17–30	NUM
admet-532	209	9	.	.	PUNCT
admet-532	210	1	[	[	X
admet-532	210	2	12	12	NUM
admet-532	210	3	]	]	PUNCT
admet-532	210	4	p.	p.	NOUN
admet-532	210	5	crivori	crivori	PROPN
admet-532	210	6	,	,	PUNCT
admet-532	210	7	g.	g.	PROPN
admet-532	210	8	cruciani	cruciani	PROPN
admet-532	210	9	,	,	PUNCT
admet-532	210	10	p.-a	p.-a	NOUN
admet-532	210	11	.	.	PUNCT
admet-532	211	1	carrupt	carrupt	PROPN
admet-532	211	2	,	,	PUNCT
admet-532	211	3	b.	b.	PROPN
admet-532	211	4	testa	testa	PROPN
admet-532	211	5	,	,	PUNCT
admet-532	211	6	predicting	predict	VERB
admet-532	211	7	blood−brain	blood−brain	NOUN
admet-532	211	8	barrier	barrier	NOUN
admet-532	211	9	permeation	permeation	NOUN
admet-532	211	10	from	from	ADP
admet-532	211	11	threedimensional	threedimensional	ADJ
admet-532	211	12	molecular	molecular	ADJ
admet-532	211	13	structure	structure	NOUN
admet-532	211	14	,	,	PUNCT
admet-532	211	15	j.	j.	PROPN
admet-532	211	16	med	med	PROPN
admet-532	211	17	.	.	PROPN
admet-532	211	18	chem	chem	PROPN
admet-532	211	19	.	.	PUNCT
admet-532	212	1	110	110	NUM
admet-532	212	2	(	(	PUNCT
admet-532	212	3	2000	2000	NUM
admet-532	212	4	)	)	PUNCT
admet-532	212	5	2204–2216	2204–2216	NUM
admet-532	212	6	.	.	PUNCT
admet-532	212	7	ermondi	ermondi	PROPN
admet-532	212	8	and	and	CCONJ
admet-532	212	9	caron	caron	PROPN
admet-532	212	10	admet	admet	PROPN
admet-532	212	11	&	&	CCONJ
admet-532	212	12	dmpk	dmpk	PROPN
admet-532	212	13	6(3	6(3	PROPN
admet-532	212	14	)	)	PUNCT
admet-532	212	15	(	(	PUNCT
admet-532	212	16	2018	2018	NUM
admet-532	212	17	)	)	PUNCT
admet-532	212	18	215	215	NUM
admet-532	212	19	-	-	SYM
admet-532	212	20	224	224	NUM
admet-532	212	21	224	224	NUM
admet-532	212	22	[	[	X
admet-532	212	23	13	13	NUM
admet-532	212	24	]	]	X
admet-532	212	25	r.c	r.c	PROPN
admet-532	212	26	.	.	PROPN
admet-532	212	27	wade	wade	PROPN
admet-532	212	28	,	,	PUNCT
admet-532	212	29	calculation	calculation	NOUN
admet-532	212	30	and	and	CCONJ
admet-532	212	31	application	application	NOUN
admet-532	212	32	of	of	ADP
admet-532	212	33	molecular	molecular	ADJ
admet-532	212	34	interaction	interaction	NOUN
admet-532	212	35	fields	field	NOUN
admet-532	212	36	,	,	PUNCT
admet-532	212	37	in	in	ADP
admet-532	212	38	:	:	PUNCT
admet-532	212	39	g.	g.	PROPN
admet-532	212	40	cruciani	cruciani	PROPN
admet-532	212	41	(	(	PUNCT
admet-532	212	42	ed	ed	NOUN
admet-532	212	43	.	.	PUNCT
admet-532	212	44	)	)	PUNCT
admet-532	212	45	,	,	PUNCT
admet-532	212	46	mol	mol	PROPN
admet-532	212	47	.	.	PROPN
admet-532	212	48	interact	interact	PROPN
admet-532	212	49	.	.	PUNCT
admet-532	213	1	fields	field	NOUN
admet-532	213	2	,	,	PUNCT
admet-532	213	3	wiley	wiley	PROPN
admet-532	213	4	-	-	PUNCT
admet-532	213	5	vch	vch	PROPN
admet-532	213	6	verlag	verlag	PROPN
admet-532	213	7	gmbh	gmbh	PROPN
admet-532	213	8	&	&	CCONJ
admet-532	213	9	co.	co.	PROPN
admet-532	213	10	kgaa	kgaa	PROPN
admet-532	213	11	,	,	PUNCT
admet-532	213	12	weinheim	weinheim	PROPN
admet-532	213	13	,	,	PUNCT
admet-532	213	14	germany	germany	PROPN
admet-532	213	15	,	,	PUNCT
admet-532	213	16	2006	2006	NUM
admet-532	213	17	:	:	PUNCT
admet-532	213	18	pp	pp	ADP
admet-532	213	19	.	.	PUNCT
admet-532	214	1	27–42	27–42	NUM
admet-532	214	2	.	.	PUNCT
admet-532	215	1	[	[	X
admet-532	215	2	14	14	NUM
admet-532	215	3	]	]	X
admet-532	215	4	c.a	c.a	PROPN
admet-532	215	5	.	.	PROPN
admet-532	215	6	lipinski	lipinski	PROPN
admet-532	215	7	,	,	PUNCT
admet-532	215	8	f.	f.	PROPN
admet-532	215	9	lombardo	lombardo	PROPN
admet-532	215	10	,	,	PUNCT
admet-532	215	11	b.w	b.w	PROPN
admet-532	215	12	.	.	PROPN
admet-532	215	13	dominy	dominy	PROPN
admet-532	215	14	,	,	PUNCT
admet-532	215	15	p.j	p.j	PROPN
admet-532	215	16	.	.	PROPN
admet-532	215	17	feeney	feeney	PROPN
admet-532	215	18	,	,	PUNCT
admet-532	215	19	experimental	experimental	ADJ
admet-532	215	20	and	and	CCONJ
admet-532	215	21	computational	computational	ADJ
admet-532	215	22	approaches	approach	NOUN
admet-532	215	23	to	to	PART
admet-532	215	24	estimate	estimate	VERB
admet-532	215	25	solubility	solubility	NOUN
admet-532	215	26	and	and	CCONJ
admet-532	215	27	permeability	permeability	NOUN
admet-532	215	28	in	in	ADP
admet-532	215	29	drug	drug	NOUN
admet-532	215	30	discovery	discovery	NOUN
admet-532	215	31	and	and	CCONJ
admet-532	215	32	development	development	NOUN
admet-532	215	33	settings	setting	NOUN
admet-532	215	34	.	.	PUNCT
admet-532	216	1	adv	adv	PROPN
admet-532	216	2	.	.	PUNCT
admet-532	216	3	drug	drug	PROPN
admet-532	216	4	deliv	deliv	PROPN
admet-532	216	5	.	.	PUNCT
admet-532	217	1	rev	rev	PROPN
admet-532	217	2	.	.	PROPN
admet-532	217	3	23	23	NUM
admet-532	217	4	(	(	PUNCT
admet-532	217	5	1997	1997	NUM
admet-532	217	6	)	)	PUNCT
admet-532	217	7	3–26	3–26	NOUN
admet-532	217	8	.	.	PUNCT
admet-532	218	1	[	[	X
admet-532	218	2	15	15	NUM
admet-532	218	3	]	]	X
admet-532	218	4	l.	l.	PROPN
admet-532	218	5	michielan	michielan	PROPN
admet-532	218	6	,	,	PUNCT
admet-532	218	7	s.	s.	PROPN
admet-532	218	8	moro	moro	PROPN
admet-532	218	9	,	,	PUNCT
admet-532	218	10	pharmaceutical	pharmaceutical	ADJ
admet-532	218	11	perspectives	perspective	NOUN
admet-532	218	12	of	of	ADP
admet-532	218	13	nonlinear	nonlinear	ADJ
admet-532	218	14	qsar	qsar	NOUN
admet-532	218	15	strategies	strategy	NOUN
admet-532	218	16	.	.	PUNCT
admet-532	219	1	j.	j.	PROPN
admet-532	219	2	chem	chem	PROPN
admet-532	219	3	.	.	PUNCT
admet-532	220	1	inf	inf	PROPN
admet-532	220	2	.	.	PROPN
admet-532	220	3	model	model	PROPN
admet-532	220	4	.	.	PUNCT
admet-532	221	1	50	50	NUM
admet-532	221	2	(	(	PUNCT
admet-532	221	3	2010	2010	NUM
admet-532	221	4	)	)	PUNCT
admet-532	222	1	961–978	961–978	NUM
admet-532	222	2	.	.	PUNCT
admet-532	223	1	[	[	X
admet-532	223	2	16	16	NUM
admet-532	223	3	]	]	X
admet-532	223	4	s.	s.	PROPN
admet-532	223	5	wold	wold	PROPN
admet-532	223	6	,	,	PUNCT
admet-532	223	7	e.	e.	PROPN
admet-532	223	8	johansson	johansson	PROPN
admet-532	223	9	,	,	PUNCT
admet-532	223	10	m.	m.	NOUN
admet-532	223	11	cocchi	cocchi	PROPN
admet-532	223	12	,	,	PUNCT
admet-532	223	13	pls	pls	INTJ
admet-532	223	14	:	:	PUNCT
admet-532	223	15	partial	partial	ADJ
admet-532	223	16	least	least	ADJ
admet-532	223	17	squares	square	NOUN
admet-532	223	18	projections	projection	NOUN
admet-532	223	19	to	to	ADP
admet-532	223	20	latent	latent	NOUN
admet-532	223	21	structures	structure	NOUN
admet-532	223	22	,	,	PUNCT
admet-532	223	23	in	in	ADP
admet-532	223	24	:	:	PUNCT
admet-532	223	25	h.	h.	PROPN
admet-532	223	26	kubinyi	kubinyi	PROPN
admet-532	223	27	(	(	PUNCT
admet-532	223	28	ed	ed	NOUN
admet-532	223	29	.	.	PUNCT
admet-532	223	30	)	)	PUNCT
admet-532	223	31	,	,	PUNCT
admet-532	223	32	3d	3d	NUM
admet-532	223	33	qsar	qsar	PROPN
admet-532	223	34	drug	drug	PROPN
admet-532	223	35	des	des	PROPN
admet-532	223	36	.	.	PROPN
admet-532	223	37	,	,	PUNCT
admet-532	223	38	kluwer	kluwer	PROPN
admet-532	223	39	academic	academic	ADJ
admet-532	223	40	publisher	publisher	NOUN
admet-532	223	41	,	,	PUNCT
admet-532	223	42	dordrecht	dordrecht	PROPN
admet-532	223	43	(	(	PUNCT
admet-532	223	44	the	the	DET
admet-532	223	45	netherlands	netherlands	PROPN
admet-532	223	46	)	)	PUNCT
admet-532	223	47	,	,	PUNCT
admet-532	223	48	2000	2000	NUM
admet-532	223	49	:	:	PUNCT
admet-532	224	1	pp	pp	ADP
admet-532	224	2	.	.	PUNCT
admet-532	225	1	523–550	523–550	NUM
admet-532	225	2	.	.	PUNCT
admet-532	226	1	[	[	X
admet-532	226	2	17	17	NUM
admet-532	226	3	]	]	PUNCT
admet-532	226	4	a.	a.	NOUN
admet-532	226	5	tropsha	tropsha	PROPN
admet-532	226	6	,	,	PUNCT
admet-532	226	7	p.	p.	PROPN
admet-532	226	8	gramatica	gramatica	PROPN
admet-532	226	9	,	,	PUNCT
admet-532	226	10	v.	v.	ADP
admet-532	226	11	gombar	gombar	NOUN
admet-532	226	12	,	,	PUNCT
admet-532	226	13	the	the	DET
admet-532	226	14	importance	importance	NOUN
admet-532	226	15	of	of	ADP
admet-532	226	16	being	be	AUX
admet-532	226	17	earnest	earnest	ADJ
admet-532	226	18	:	:	PUNCT
admet-532	226	19	validation	validation	NOUN
admet-532	226	20	is	be	AUX
admet-532	226	21	the	the	DET
admet-532	226	22	absolute	absolute	ADJ
admet-532	226	23	essential	essential	ADJ
admet-532	226	24	for	for	ADP
admet-532	226	25	successful	successful	ADJ
admet-532	226	26	application	application	NOUN
admet-532	226	27	and	and	CCONJ
admet-532	226	28	interpretation	interpretation	NOUN
admet-532	226	29	of	of	ADP
admet-532	226	30	qspr	qspr	NOUN
admet-532	226	31	models	model	NOUN
admet-532	226	32	.	.	PUNCT
admet-532	227	1	qsar	qsar	NOUN
admet-532	227	2	comb	comb	NOUN
admet-532	227	3	.	.	PUNCT
admet-532	228	1	sci	sci	PROPN
admet-532	228	2	.	.	PROPN
admet-532	229	1	22	22	NUM
admet-532	229	2	(	(	PUNCT
admet-532	229	3	2003	2003	NUM
admet-532	229	4	)	)	PUNCT
admet-532	230	1	69–77	69–77	NUM
admet-532	230	2	.	.	PUNCT
admet-532	231	1	[	[	X
admet-532	231	2	18	18	NUM
admet-532	231	3	]	]	PUNCT
admet-532	231	4	t.	t.	PROPN
admet-532	231	5	mehmood	mehmood	PROPN
admet-532	231	6	,	,	PUNCT
admet-532	231	7	k.h	k.h	PROPN
admet-532	231	8	.	.	PROPN
admet-532	231	9	liland	liland	PROPN
admet-532	231	10	,	,	PUNCT
admet-532	231	11	l.	l.	PROPN
admet-532	231	12	snipen	snipen	PROPN
admet-532	231	13	,	,	PUNCT
admet-532	231	14	s.	s.	PROPN
admet-532	231	15	sæbø	sæbø	PROPN
admet-532	231	16	,	,	PUNCT
admet-532	231	17	a	a	DET
admet-532	231	18	review	review	NOUN
admet-532	231	19	of	of	ADP
admet-532	231	20	variable	variable	ADJ
admet-532	231	21	selection	selection	NOUN
admet-532	231	22	methods	method	NOUN
admet-532	231	23	in	in	ADP
admet-532	231	24	partial	partial	ADJ
admet-532	231	25	least	least	ADJ
admet-532	231	26	squares	square	NOUN
admet-532	231	27	regression	regression	NOUN
admet-532	231	28	.	.	PUNCT
admet-532	232	1	chemom	chemom	PROPN
admet-532	232	2	.	.	PUNCT
admet-532	233	1	intell	intell	PROPN
admet-532	233	2	.	.	PUNCT
admet-532	234	1	lab	lab	PROPN
admet-532	234	2	.	.	PUNCT
admet-532	235	1	syst	syst	PROPN
admet-532	235	2	.	.	PUNCT
admet-532	236	1	118	118	NUM
admet-532	236	2	(	(	PUNCT
admet-532	236	3	2012	2012	NUM
admet-532	236	4	)	)	PUNCT
admet-532	236	5	62–69	62–69	NUM
admet-532	236	6	.	.	PUNCT
admet-532	237	1	[	[	X
admet-532	237	2	19	19	NUM
admet-532	237	3	]	]	X
admet-532	237	4	g.	g.	PROPN
admet-532	237	5	caron	caron	PROPN
admet-532	237	6	,	,	PUNCT
admet-532	237	7	s.	s.	PROPN
admet-532	237	8	visentin	visentin	PROPN
admet-532	237	9	,	,	PUNCT
admet-532	237	10	c.	c.	PROPN
admet-532	237	11	pontremoli	pontremoli	PROPN
admet-532	237	12	,	,	PUNCT
admet-532	237	13	g.	g.	PROPN
admet-532	237	14	ermondi	ermondi	PROPN
admet-532	237	15	,	,	PUNCT
admet-532	237	16	profile	profile	NOUN
admet-532	237	17	of	of	ADP
admet-532	237	18	the	the	DET
admet-532	237	19	intermolecular	intermolecular	ADJ
admet-532	237	20	forces	force	NOUN
admet-532	237	21	governing	govern	VERB
admet-532	237	22	the	the	DET
admet-532	237	23	interaction	interaction	NOUN
admet-532	237	24	of	of	ADP
admet-532	237	25	drugs	drug	NOUN
admet-532	237	26	with	with	ADP
admet-532	237	27	mucin	mucin	PROPN
admet-532	237	28	.	.	PUNCT
admet-532	238	1	int	int	NOUN
admet-532	238	2	.	.	PUNCT
admet-532	239	1	j.	j.	PROPN
admet-532	239	2	pharm	pharm	PROPN
admet-532	239	3	.	.	PUNCT
admet-532	240	1	488	488	NUM
admet-532	240	2	(	(	PUNCT
admet-532	240	3	2015	2015	NUM
admet-532	240	4	)	)	PUNCT
admet-532	240	5	67–69	67–69	NUM
admet-532	240	6	.	.	PUNCT
admet-532	241	1	[	[	X
admet-532	241	2	20	20	NUM
admet-532	241	3	]	]	X
admet-532	241	4	g.	g.	NOUN
admet-532	241	5	ermondi	ermondi	PROPN
admet-532	241	6	,	,	PUNCT
admet-532	241	7	g.	g.	PROPN
admet-532	241	8	caron	caron	PROPN
admet-532	241	9	,	,	PUNCT
admet-532	241	10	do	do	VERB
admet-532	241	11	surface	surface	NOUN
admet-532	241	12	-	-	PUNCT
admet-532	241	13	based	base	VERB
admet-532	241	14	match	match	NOUN
admet-532	241	15	solution	solution	NOUN
admet-532	241	16	-	-	PUNCT
admet-532	241	17	based	base	VERB
admet-532	241	18	techniques	technique	NOUN
admet-532	241	19	?	?	PUNCT
admet-532	242	1	the	the	DET
admet-532	242	2	case	case	NOUN
admet-532	242	3	of	of	ADP
admet-532	242	4	drug	drug	NOUN
admet-532	242	5	-	-	PUNCT
admet-532	242	6	liposome	liposome	NOUN
admet-532	242	7	interaction	interaction	NOUN
admet-532	242	8	.	.	PUNCT
admet-532	243	1	int	int	NOUN
admet-532	243	2	.	.	PUNCT
admet-532	244	1	j.	j.	PROPN
admet-532	244	2	pharm	pharm	PROPN
admet-532	244	3	.	.	PUNCT
admet-532	245	1	508	508	NUM
admet-532	245	2	(	(	PUNCT
admet-532	245	3	2016	2016	NUM
admet-532	245	4	)	)	PUNCT
admet-532	245	5	123	123	NUM
admet-532	245	6	-	-	SYM
admet-532	245	7	127	127	NUM
admet-532	245	8	.	.	PUNCT
admet-532	246	1	[	[	X
admet-532	246	2	21	21	NUM
admet-532	246	3	]	]	X
admet-532	246	4	g.h	g.h	PROPN
admet-532	246	5	.	.	PUNCT
admet-532	246	6	goetz	goetz	PROPN
admet-532	246	7	,	,	PUNCT
admet-532	246	8	m.	m.	NOUN
admet-532	246	9	shalaeva	shalaeva	PROPN
admet-532	246	10	,	,	PUNCT
admet-532	246	11	g.	g.	PROPN
admet-532	246	12	caron	caron	PROPN
admet-532	246	13	,	,	PUNCT
admet-532	246	14	g.	g.	PROPN
admet-532	246	15	ermondi	ermondi	PROPN
admet-532	246	16	,	,	PUNCT
admet-532	246	17	l.	l.	PROPN
admet-532	246	18	philippe	philippe	PROPN
admet-532	246	19	,	,	PUNCT
admet-532	246	20	relationship	relationship	NOUN
admet-532	246	21	between	between	ADP
admet-532	246	22	passive	passive	ADJ
admet-532	246	23	permeability	permeability	NOUN
admet-532	246	24	and	and	CCONJ
admet-532	246	25	molecular	molecular	ADJ
admet-532	246	26	polarity	polarity	NOUN
admet-532	246	27	using	use	VERB
admet-532	246	28	block	block	NOUN
admet-532	246	29	relevance	relevance	NOUN
admet-532	246	30	analysis	analysis	NOUN
admet-532	246	31	.	.	PUNCT
admet-532	247	1	mol	mol	X
admet-532	247	2	.	.	PUNCT
admet-532	247	3	pharm	pharm	PROPN
admet-532	247	4	.	.	PUNCT
admet-532	248	1	14	14	NUM
admet-532	248	2	(	(	PUNCT
admet-532	248	3	2017	2017	NUM
admet-532	248	4	)	)	PUNCT
admet-532	248	5	386	386	NUM
admet-532	248	6	-	-	SYM
admet-532	248	7	395	395	NUM
admet-532	248	8	.	.	PUNCT
admet-532	249	1	[	[	X
admet-532	249	2	22	22	NUM
admet-532	249	3	]	]	X
admet-532	249	4	g.	g.	PROPN
admet-532	249	5	caron	caron	PROPN
admet-532	249	6	,	,	PUNCT
admet-532	249	7	m.	m.	NOUN
admet-532	249	8	vallaro	vallaro	NOUN
admet-532	249	9	,	,	PUNCT
admet-532	249	10	g.	g.	PROPN
admet-532	249	11	ermondi	ermondi	PROPN
admet-532	249	12	,	,	PUNCT
admet-532	249	13	g.h	g.h	PROPN
admet-532	249	14	.	.	PROPN
admet-532	250	1	goetz	goetz	PROPN
admet-532	250	2	,	,	PUNCT
admet-532	250	3	y.a	y.a	PROPN
admet-532	250	4	.	.	PROPN
admet-532	250	5	abramov	abramov	PROPN
admet-532	250	6	,	,	PUNCT
admet-532	250	7	l.	l.	PROPN
admet-532	250	8	philippe	philippe	PROPN
admet-532	250	9	,	,	PUNCT
admet-532	250	10	m.	m.	NOUN
admet-532	250	11	shalaeva	shalaeva	PROPN
admet-532	250	12	,	,	PUNCT
admet-532	250	13	a	a	DET
admet-532	250	14	fast	fast	ADJ
admet-532	250	15	chromatographic	chromatographic	ADJ
admet-532	250	16	method	method	NOUN
admet-532	250	17	for	for	ADP
admet-532	250	18	estimating	estimate	VERB
admet-532	250	19	lipophilicity	lipophilicity	NOUN
admet-532	250	20	and	and	CCONJ
admet-532	250	21	ionization	ionization	NOUN
admet-532	250	22	in	in	ADP
admet-532	250	23	nonpolar	nonpolar	ADJ
admet-532	250	24	membrane	membrane	NOUN
admet-532	250	25	-	-	PUNCT
admet-532	250	26	like	like	ADJ
admet-532	250	27	environment	environment	NOUN
admet-532	250	28	.	.	PUNCT
admet-532	251	1	mol	mol	PROPN
admet-532	251	2	.	.	PUNCT
admet-532	251	3	pharm	pharm	PROPN
admet-532	251	4	.	.	PUNCT
admet-532	252	1	13	13	NUM
admet-532	252	2	(	(	PUNCT
admet-532	252	3	2016	2016	NUM
admet-532	252	4	)	)	PUNCT
admet-532	252	5	1100–1110	1100–1110	NUM
admet-532	252	6	.	.	PUNCT
admet-532	253	1	[	[	X
admet-532	253	2	23	23	NUM
admet-532	253	3	]	]	PUNCT
admet-532	253	4	t.	t.	NOUN
admet-532	253	5	potter	potter	NOUN
admet-532	253	6	,	,	PUNCT
admet-532	253	7	g.	g.	PROPN
admet-532	253	8	ermondi	ermondi	PROPN
admet-532	253	9	,	,	PUNCT
admet-532	253	10	g.	g.	PROPN
admet-532	253	11	newbury	newbury	PROPN
admet-532	253	12	,	,	PUNCT
admet-532	253	13	g.	g.	PROPN
admet-532	253	14	caron	caron	PROPN
admet-532	253	15	,	,	PUNCT
admet-532	253	16	relating	relate	VERB
admet-532	253	17	caco-2	caco-2	NUM
admet-532	253	18	permeability	permeability	NOUN
admet-532	253	19	to	to	ADP
admet-532	253	20	molecular	molecular	ADJ
admet-532	253	21	properties	property	NOUN
admet-532	253	22	using	use	VERB
admet-532	253	23	block	block	NOUN
admet-532	253	24	relevance	relevance	NOUN
admet-532	253	25	analysis	analysis	NOUN
admet-532	253	26	.	.	PUNCT
admet-532	254	1	med	med	PROPN
admet-532	254	2	.	.	PROPN
admet-532	254	3	chem	chem	PROPN
admet-532	254	4	.	.	PUNCT
admet-532	255	1	commun	commun	PROPN
admet-532	255	2	.	.	PUNCT
admet-532	256	1	6	6	NUM
admet-532	256	2	(	(	PUNCT
admet-532	256	3	2015	2015	NUM
admet-532	256	4	)	)	PUNCT
admet-532	256	5	626	626	NUM
admet-532	256	6	-	-	SYM
admet-532	256	7	629	629	NUM
admet-532	256	8	.	.	PUNCT
admet-532	257	1	[	[	X
admet-532	257	2	24	24	NUM
admet-532	257	3	]	]	X
admet-532	257	4	g.h	g.h	PROPN
admet-532	257	5	.	.	PROPN
admet-532	257	6	goetz	goetz	PROPN
admet-532	257	7	,	,	PUNCT
admet-532	257	8	w.	w.	PROPN
admet-532	257	9	farrell	farrell	PROPN
admet-532	257	10	,	,	PUNCT
admet-532	257	11	m.	m.	NOUN
admet-532	257	12	shalaeva	shalaeva	PROPN
admet-532	257	13	,	,	PUNCT
admet-532	257	14	s.	s.	PROPN
admet-532	257	15	sciabola	sciabola	PROPN
admet-532	257	16	,	,	PUNCT
admet-532	257	17	d.	d.	PROPN
admet-532	257	18	anderson	anderson	PROPN
admet-532	257	19	,	,	PUNCT
admet-532	257	20	j.	j.	PROPN
admet-532	257	21	yan	yan	PROPN
admet-532	257	22	,	,	PUNCT
admet-532	257	23	l.	l.	PROPN
admet-532	257	24	philippe	philippe	PROPN
admet-532	257	25	,	,	PUNCT
admet-532	257	26	m.j	m.j	PROPN
admet-532	257	27	.	.	PROPN
admet-532	257	28	shapiro	shapiro	PROPN
admet-532	257	29	,	,	PUNCT
admet-532	257	30	high	high	ADJ
admet-532	257	31	throughput	throughput	NOUN
admet-532	257	32	method	method	NOUN
admet-532	257	33	for	for	ADP
admet-532	257	34	the	the	DET
admet-532	257	35	indirect	indirect	ADJ
admet-532	257	36	detection	detection	NOUN
admet-532	257	37	of	of	ADP
admet-532	257	38	intramolecular	intramolecular	ADJ
admet-532	257	39	hydrogen	hydrogen	NOUN
admet-532	257	40	bonding	bonding	NOUN
admet-532	257	41	.	.	PUNCT
admet-532	258	1	j.	j.	PROPN
admet-532	258	2	med	med	PROPN
admet-532	258	3	.	.	PROPN
admet-532	258	4	chem	chem	PROPN
admet-532	258	5	.	.	PUNCT
admet-532	259	1	57	57	NUM
admet-532	259	2	(	(	PUNCT
admet-532	259	3	2014	2014	NUM
admet-532	259	4	)	)	PUNCT
admet-532	259	5	2920–2929	2920–2929	NOUN
admet-532	259	6	.	.	PUNCT
admet-532	260	1	[	[	X
admet-532	260	2	25	25	NUM
admet-532	260	3	]	]	X
admet-532	260	4	c.r.w	c.r.w	PROPN
admet-532	260	5	.	.	PUNCT
admet-532	260	6	guimarães	guimarães	PROPN
admet-532	260	7	,	,	PUNCT
admet-532	260	8	a.m.	a.m.	PROPN
admet-532	260	9	mathiowetz	mathiowetz	PROPN
admet-532	260	10	,	,	PUNCT
admet-532	260	11	m.	m.	NOUN
admet-532	260	12	shalaeva	shalaeva	PROPN
admet-532	260	13	,	,	PUNCT
admet-532	260	14	g.	g.	PROPN
admet-532	260	15	goetz	goetz	PROPN
admet-532	260	16	,	,	PUNCT
admet-532	260	17	s.	s.	PROPN
admet-532	260	18	liras	liras	PROPN
admet-532	260	19	,	,	PUNCT
admet-532	260	20	use	use	NOUN
admet-532	260	21	of	of	ADP
admet-532	260	22	3d	3d	NUM
admet-532	260	23	properties	property	NOUN
admet-532	260	24	to	to	PART
admet-532	260	25	characterize	characterize	VERB
admet-532	260	26	beyond	beyond	ADP
admet-532	260	27	rule	rule	NOUN
admet-532	260	28	-	-	PUNCT
admet-532	260	29	of-5	of-5	NOUN
admet-532	260	30	property	property	NOUN
admet-532	260	31	space	space	NOUN
admet-532	260	32	for	for	ADP
admet-532	260	33	passive	passive	ADJ
admet-532	260	34	permeation	permeation	NOUN
admet-532	260	35	.	.	PUNCT
admet-532	261	1	j.	j.	PROPN
admet-532	261	2	chem	chem	PROPN
admet-532	261	3	.	.	PUNCT
admet-532	262	1	inf	inf	PROPN
admet-532	262	2	.	.	PROPN
admet-532	262	3	model	model	PROPN
admet-532	262	4	.	.	PUNCT
admet-532	263	1	52	52	NUM
admet-532	263	2	(	(	PUNCT
admet-532	263	3	2012	2012	NUM
admet-532	263	4	)	)	PUNCT
admet-532	264	1	882–890	882–890	NUM
admet-532	264	2	.	.	PUNCT
admet-532	265	1	[	[	X
admet-532	265	2	26	26	NUM
admet-532	265	3	]	]	X
admet-532	265	4	g.	g.	PROPN
admet-532	265	5	caron	caron	PROPN
admet-532	265	6	,	,	PUNCT
admet-532	265	7	g.	g.	PROPN
admet-532	265	8	ermondi	ermondi	PROPN
admet-532	265	9	,	,	PUNCT
admet-532	265	10	molecular	molecular	ADJ
admet-532	265	11	descriptors	descriptor	NOUN
admet-532	265	12	for	for	ADP
admet-532	265	13	polarity	polarity	NOUN
admet-532	265	14	:	:	PUNCT
admet-532	265	15	the	the	DET
admet-532	265	16	need	need	NOUN
admet-532	265	17	of	of	ADP
admet-532	265	18	going	go	VERB
admet-532	265	19	beyond	beyond	ADP
admet-532	265	20	psa	psa	NOUN
admet-532	265	21	.	.	PUNCT
admet-532	265	22	fut.med.chem	fut.med.chem	PROPN
admet-532	265	23	.	.	PROPN
admet-532	265	24	8	8	NUM
admet-532	265	25	(	(	PUNCT
admet-532	265	26	2016	2016	NUM
admet-532	265	27	)	)	PUNCT
admet-532	265	28	,	,	PUNCT
admet-532	265	29	2013	2013	NUM
admet-532	265	30	-	-	SYM
admet-532	265	31	2016	2016	NUM
admet-532	265	32	.	.	PUNCT
admet-532	266	1	[	[	X
admet-532	266	2	27	27	NUM
admet-532	266	3	]	]	X
admet-532	266	4	g.h	g.h	PROPN
admet-532	266	5	.	.	PROPN
admet-532	266	6	goetz	goetz	PROPN
admet-532	266	7	,	,	PUNCT
admet-532	266	8	l.	l.	PROPN
admet-532	266	9	philippe	philippe	PROPN
admet-532	266	10	,	,	PUNCT
admet-532	266	11	m.j	m.j	PROPN
admet-532	266	12	.	.	PROPN
admet-532	266	13	shapiro	shapiro	PROPN
admet-532	266	14	,	,	PUNCT
admet-532	266	15	epsa	epsa	NOUN
admet-532	266	16	:	:	PUNCT
admet-532	266	17	a	a	DET
admet-532	266	18	novel	novel	ADJ
admet-532	266	19	supercritical	supercritical	ADJ
admet-532	266	20	fluid	fluid	NOUN
admet-532	266	21	chromatography	chromatography	NOUN
admet-532	266	22	technique	technique	NOUN
admet-532	266	23	enabling	enable	VERB
admet-532	266	24	the	the	DET
admet-532	266	25	design	design	NOUN
admet-532	266	26	of	of	ADP
admet-532	266	27	permeable	permeable	ADJ
admet-532	266	28	cyclic	cyclic	ADJ
admet-532	266	29	peptides	peptide	NOUN
admet-532	266	30	.	.	PUNCT
admet-532	267	1	acs	acs	PROPN
admet-532	267	2	med	med	PROPN
admet-532	268	1	.	.	PUNCT
admet-532	268	2	chem	chem	PROPN
admet-532	268	3	.	.	PUNCT
admet-532	269	1	lett	lett	PROPN
admet-532	269	2	.	.	PROPN
admet-532	270	1	5	5	NUM
admet-532	270	2	(	(	PUNCT
admet-532	270	3	2014	2014	NUM
admet-532	270	4	)	)	PUNCT
admet-532	270	5	1167–1172	1167–1172	NUM
admet-532	270	6	.	.	PUNCT
admet-532	271	1	[	[	X
admet-532	271	2	28	28	NUM
admet-532	271	3	]	]	X
admet-532	271	4	s.	s.	PROPN
admet-532	271	5	sciabola	sciabola	PROPN
admet-532	271	6	,	,	PUNCT
admet-532	271	7	g.h	g.h	PROPN
admet-532	271	8	.	.	PROPN
admet-532	271	9	goetz	goetz	PROPN
admet-532	271	10	,	,	PUNCT
admet-532	271	11	g.	g.	PROPN
admet-532	271	12	bai	bai	PROPN
admet-532	271	13	,	,	PUNCT
admet-532	271	14	b.n	b.n	PROPN
admet-532	271	15	.	.	PROPN
admet-532	271	16	rogers	rogers	PROPN
admet-532	271	17	,	,	PUNCT
admet-532	271	18	d.l	d.l	PROPN
admet-532	271	19	.	.	PROPN
admet-532	271	20	gray	gray	PROPN
admet-532	271	21	,	,	PUNCT
admet-532	271	22	a.	a.	NOUN
admet-532	271	23	duplantier	duplantier	NOUN
admet-532	271	24	,	,	PUNCT
admet-532	271	25	k.r	k.r	PROPN
admet-532	271	26	.	.	PROPN
admet-532	271	27	fonseca	fonseca	PROPN
admet-532	271	28	,	,	PUNCT
admet-532	271	29	m.a	m.a	PROPN
admet-532	271	30	.	.	PROPN
admet-532	271	31	vanasefrawley	vanasefrawley	PROPN
admet-532	271	32	,	,	PUNCT
admet-532	271	33	n.m	n.m	PROPN
admet-532	271	34	.	.	PROPN
admet-532	271	35	kablaoui	kablaoui	PROPN
admet-532	271	36	,	,	PUNCT
admet-532	271	37	systematic	systematic	ADJ
admet-532	271	38	n	n	CCONJ
admet-532	271	39	-	-	PUNCT
admet-532	271	40	methylation	methylation	NOUN
admet-532	271	41	of	of	ADP
admet-532	271	42	oxytocin	oxytocin	PROPN
admet-532	271	43	:	:	PUNCT
admet-532	271	44	impact	impact	NOUN
admet-532	271	45	on	on	ADP
admet-532	271	46	pharmacology	pharmacology	NOUN
admet-532	271	47	and	and	CCONJ
admet-532	271	48	intramolecular	intramolecular	ADJ
admet-532	271	49	hydrogen	hydrogen	NOUN
admet-532	271	50	bonding	bonding	NOUN
admet-532	271	51	network	network	NOUN
admet-532	271	52	.	.	PUNCT
admet-532	272	1	bioorganic	bioorganic	PROPN
admet-532	272	2	med	med	PROPN
admet-532	272	3	.	.	PROPN
admet-532	272	4	chem	chem	PROPN
admet-532	272	5	.	.	PUNCT
admet-532	273	1	24	24	NUM
admet-532	273	2	(	(	PUNCT
admet-532	273	3	2016	2016	NUM
admet-532	273	4	)	)	PUNCT
admet-532	273	5	3513–3520	3513–3520	NUM
admet-532	273	6	.	.	PUNCT
admet-532	274	1	[	[	X
admet-532	274	2	29	29	NUM
admet-532	274	3	]	]	X
admet-532	274	4	l.	l.	PROPN
admet-532	274	5	grumetto	grumetto	PROPN
admet-532	274	6	,	,	PUNCT
admet-532	274	7	g.	g.	PROPN
admet-532	274	8	russo	russo	PROPN
admet-532	274	9	,	,	PUNCT
admet-532	274	10	f.	f.	PROPN
admet-532	274	11	barbato	barbato	PROPN
admet-532	274	12	,	,	PUNCT
admet-532	274	13	polar	polar	ADJ
admet-532	274	14	interactions	interaction	NOUN
admet-532	274	15	drug	drug	NOUN
admet-532	274	16	/	/	SYM
admet-532	274	17	phospholipids	phospholipid	NOUN
admet-532	274	18	estimated	estimate	VERB
admet-532	274	19	by	by	ADP
admet-532	274	20	iam	iam	PROPN
admet-532	274	21	-	-	PUNCT
admet-532	274	22	hplc	hplc	PROPN
admet-532	274	23	vs	vs	ADP
admet-532	274	24	cultured	cultured	ADJ
admet-532	274	25	cell	cell	NOUN
admet-532	274	26	line	line	NOUN
admet-532	274	27	passage	passage	NOUN
admet-532	274	28	data	datum	NOUN
admet-532	274	29	:	:	PUNCT
admet-532	274	30	their	their	PRON
admet-532	274	31	relationships	relationship	NOUN
admet-532	274	32	and	and	CCONJ
admet-532	274	33	comparison	comparison	NOUN
admet-532	274	34	of	of	ADP
admet-532	274	35	their	their	PRON
admet-532	274	36	effectiveness	effectiveness	NOUN
admet-532	274	37	in	in	ADP
admet-532	274	38	predicting	predict	VERB
admet-532	274	39	drug	drug	NOUN
admet-532	274	40	human	human	ADJ
admet-532	274	41	intestinal	intestinal	ADJ
admet-532	274	42	absorption	absorption	NOUN
admet-532	274	43	.	.	PUNCT
admet-532	275	1	int	int	NOUN
admet-532	275	2	.	.	PUNCT
admet-532	276	1	j.	j.	PROPN
admet-532	276	2	pharm	pharm	PROPN
admet-532	276	3	.	.	PUNCT
admet-532	277	1	500	500	NUM
admet-532	277	2	(	(	PUNCT
admet-532	277	3	2016	2016	NUM
admet-532	277	4	)	)	PUNCT
admet-532	278	1	275–290	275–290	NUM
admet-532	278	2	.	.	PUNCT
admet-532	279	1	[	[	X
admet-532	279	2	30	30	NUM
admet-532	279	3	]	]	X
admet-532	279	4	g.	g.	PROPN
admet-532	279	5	caron	caron	PROPN
admet-532	279	6	,	,	PUNCT
admet-532	279	7	m.	m.	NOUN
admet-532	279	8	vallaro	vallaro	NOUN
admet-532	279	9	,	,	PUNCT
admet-532	279	10	g.	g.	PROPN
admet-532	279	11	ermondi	ermondi	PROPN
admet-532	279	12	,	,	PUNCT
admet-532	279	13	log	log	VERB
admet-532	279	14	p	p	NOUN
admet-532	279	15	as	as	ADP
admet-532	279	16	a	a	DET
admet-532	279	17	tool	tool	NOUN
admet-532	279	18	in	in	ADP
admet-532	279	19	intramolecular	intramolecular	ADJ
admet-532	279	20	hydrogen	hydrogen	NOUN
admet-532	279	21	bond	bond	NOUN
admet-532	279	22	considerations	consideration	NOUN
admet-532	279	23	.	.	PUNCT
admet-532	280	1	drug	drug	NOUN
admet-532	280	2	discov	discov	NOUN
admet-532	280	3	.	.	PUNCT
admet-532	281	1	today	today	NOUN
admet-532	281	2	:	:	PUNCT
admet-532	281	3	technol	technol	ADJ
admet-532	281	4	.	.	PUNCT
admet-532	282	1	(	(	PUNCT
admet-532	282	2	2018	2018	NUM
admet-532	282	3	)	)	PUNCT
admet-532	282	4	doi.org/10.1016/j.ddtec.2018.03.001	doi.org/10.1016/j.ddtec.2018.03.001	NOUN
admet-532	282	5	.	.	PUNCT
admet-532	283	1	©	©	PROPN
admet-532	283	2	2018	2018	NUM
admet-532	283	3	by	by	ADP
admet-532	283	4	the	the	DET
admet-532	283	5	authors	author	NOUN
admet-532	283	6	;	;	PUNCT
admet-532	284	1	licensee	licensee	PROPN
admet-532	284	2	iapc	iapc	PROPN
admet-532	284	3	,	,	PUNCT
admet-532	284	4	zagreb	zagreb	PROPN
admet-532	284	5	,	,	PUNCT
admet-532	284	6	croatia	croatia	PROPN
admet-532	284	7	.	.	PUNCT
admet-532	285	1	this	this	DET
admet-532	285	2	article	article	NOUN
admet-532	285	3	is	be	AUX
admet-532	285	4	an	an	DET
admet-532	285	5	open	open	ADJ
admet-532	285	6	-	-	PUNCT
admet-532	285	7	access	access	NOUN
admet-532	285	8	article	article	NOUN
admet-532	285	9	distributed	distribute	VERB
admet-532	285	10	under	under	ADP
admet-532	285	11	the	the	DET
admet-532	285	12	terms	term	NOUN
admet-532	285	13	and	and	CCONJ
admet-532	285	14	conditions	condition	NOUN
admet-532	285	15	of	of	ADP
admet-532	285	16	the	the	DET
admet-532	285	17	creative	creative	ADJ
admet-532	285	18	commons	common	NOUN
admet-532	285	19	attribution	attribution	NOUN
admet-532	285	20	license	license	NOUN
admet-532	285	21	(	(	PUNCT
admet-532	285	22	http://creativecommons.org/licenses/by/3.0/	http://creativecommons.org/licenses/by/3.0/	PROPN
admet-532	285	23	)	)	PUNCT
admet-532	285	24	http://creativecommons.org/licenses/by/3.0/	http://creativecommons.org/licenses/by/3.0/	PROPN