id	sid	tid	token	lemma	pos
admet-794	1	1	can	can	AUX
admet-794	1	2	small	small	ADJ
admet-794	1	3	drugs	drug	NOUN
admet-794	1	4	predict	predict	VERB
admet-794	1	5	the	the	DET
admet-794	1	6	intrinsic	intrinsic	ADJ
admet-794	1	7	aqueous	aqueous	ADJ
admet-794	1	8	solubility	solubility	NOUN
admet-794	1	9	of	of	ADP
admet-794	1	10	‘	'	PUNCT
admet-794	1	11	beyond	beyond	ADP
admet-794	1	12	rule	rule	NOUN
admet-794	1	13	of	of	ADP
admet-794	1	14	5	5	NUM
admet-794	1	15	’	'	PUNCT
admet-794	1	16	big	big	ADJ
admet-794	1	17	drugs	drug	NOUN
admet-794	1	18	?	?	PUNCT
admet-794	2	1	doi	doi	NOUN
admet-794	2	2	:	:	PUNCT
admet-794	2	3	http://dx.doi.org/10.5599/admet.794	http://dx.doi.org/10.5599/admet.794	ADJ
admet-794	2	4	180	180	NUM
admet-794	2	5	admet	admet	X
admet-794	2	6	&	&	CCONJ
admet-794	2	7	dmpk	dmpk	PROPN
admet-794	2	8	8(3	8(3	NUM
admet-794	2	9	)	)	PUNCT
admet-794	2	10	(	(	PUNCT
admet-794	2	11	2020	2020	NUM
admet-794	2	12	)	)	PUNCT
admet-794	2	13	180	180	NUM
admet-794	2	14	-	-	SYM
admet-794	2	15	206	206	NUM
admet-794	2	16	;	;	PUNCT
admet-794	2	17	doi	doi	NOUN
admet-794	2	18	:	:	PUNCT
admet-794	2	19	http://dx.doi.org/10.5599/admet.794	http://dx.doi.org/10.5599/admet.794	ADJ
admet-794	2	20	open	open	ADJ
admet-794	2	21	access	access	NOUN
admet-794	2	22	:	:	PUNCT
admet-794	2	23	issn	issn	PROPN
admet-794	2	24	:	:	PUNCT
admet-794	2	25	1848	1848	NUM
admet-794	2	26	-	-	SYM
admet-794	2	27	7718	7718	NUM
admet-794	2	28	http://www.pub.iapchem.org/ojs/index.php/admet/index	http://www.pub.iapchem.org/ojs/index.php/admet/index	NOUN
admet-794	2	29	original	original	ADJ
admet-794	2	30	scientific	scientific	ADJ
admet-794	2	31	paper	paper	NOUN
admet-794	2	32	can	can	AUX
admet-794	2	33	small	small	ADJ
admet-794	2	34	drugs	drug	NOUN
admet-794	2	35	predict	predict	VERB
admet-794	2	36	the	the	DET
admet-794	2	37	intrinsic	intrinsic	ADJ
admet-794	2	38	aqueous	aqueous	ADJ
admet-794	2	39	solubility	solubility	NOUN
admet-794	2	40	of	of	ADP
admet-794	2	41	‘	'	PUNCT
admet-794	2	42	beyond	beyond	ADP
admet-794	2	43	rule	rule	NOUN
admet-794	2	44	of	of	ADP
admet-794	2	45	5	5	NUM
admet-794	2	46	’	'	PUNCT
admet-794	2	47	big	big	ADJ
admet-794	2	48	drugs	drug	NOUN
admet-794	2	49	?	?	PUNCT
admet-794	3	1	alex	alex	PROPN
admet-794	3	2	avdeef	avdeef	PROPN
admet-794	3	3	1	1	NUM
admet-794	3	4	,	,	PUNCT
admet-794	3	5	*	*	PUNCT
admet-794	3	6	and	and	CCONJ
admet-794	3	7	manfred	manfred	ADJ
admet-794	3	8	kansy2	kansy2	NOUN
admet-794	3	9	1	1	NUM
admet-794	3	10	in	in	ADP
admet-794	3	11	-	-	PUNCT
admet-794	3	12	adme	adme	NOUN
admet-794	3	13	research	research	NOUN
admet-794	3	14	,	,	PUNCT
admet-794	3	15	1732	1732	NUM
admet-794	3	16	first	first	ADJ
admet-794	3	17	avenue	avenue	PROPN
admet-794	3	18	#	#	SYM
admet-794	3	19	102	102	NUM
admet-794	3	20	,	,	PUNCT
admet-794	3	21	new	new	PROPN
admet-794	3	22	york	york	PROPN
admet-794	3	23	,	,	PUNCT
admet-794	3	24	ny	ny	PROPN
admet-794	3	25	10128	10128	NUM
admet-794	3	26	usa	usa	PROPN
admet-794	3	27	2	2	NUM
admet-794	3	28	79111	79111	NUM
admet-794	3	29	freiburg	freiburg	NOUN
admet-794	4	1	i	i	NOUN
admet-794	4	2	m	m	VERB
admet-794	4	3	breisgau	breisgau	NOUN
admet-794	4	4	,	,	PUNCT
admet-794	4	5	germany	germany	PROPN
admet-794	4	6	*	*	PUNCT
admet-794	4	7	corresponding	correspond	VERB
admet-794	4	8	author	author	NOUN
admet-794	4	9	:	:	PUNCT
admet-794	4	10	e	e	NOUN
admet-794	4	11	-	-	NOUN
admet-794	4	12	mail	mail	NOUN
admet-794	4	13	:	:	PUNCT
admet-794	4	14	alex@in-adme.com	alex@in-adme.com	NOUN
admet-794	4	15	;	;	PUNCT
admet-794	4	16	tel	tel	PROPN
admet-794	4	17	:	:	PUNCT
admet-794	4	18	+1	+1	PROPN
admet-794	4	19	-	-	PUNCT
admet-794	4	20	646	646	NUM
admet-794	4	21	-	-	PUNCT
admet-794	4	22	678	678	NUM
admet-794	4	23	-	-	SYM
admet-794	4	24	5713	5713	NUM
admet-794	4	25	;	;	PUNCT
admet-794	4	26	orcid	orcid	NOUN
admet-794	5	1	i	i	NOUN
admet-794	5	2	d	d	NOUN
admet-794	5	3	:	:	PUNCT
admet-794	5	4	0000	0000	NUM
admet-794	5	5	-	-	PUNCT
admet-794	5	6	0002	0002	NUM
admet-794	5	7	-	-	PUNCT
admet-794	5	8	3139	3139	NUM
admet-794	5	9	-	-	PUNCT
admet-794	5	10	5442	5442	NUM
admet-794	5	11	received	receive	VERB
admet-794	5	12	:	:	PUNCT
admet-794	5	13	february	february	PROPN
admet-794	5	14	18	18	NUM
admet-794	5	15	,	,	PUNCT
admet-794	5	16	2019	2019	NUM
admet-794	5	17	;	;	PUNCT
admet-794	5	18	revised	revise	VERB
admet-794	5	19	:	:	PUNCT
admet-794	5	20	april	april	PROPN
admet-794	5	21	14	14	NUM
admet-794	5	22	,	,	PUNCT
admet-794	5	23	2020	2020	NUM
admet-794	5	24	;	;	PUNCT
admet-794	5	25	available	available	ADJ
admet-794	5	26	online	online	NOUN
admet-794	5	27	:	:	PUNCT
admet-794	5	28	april	april	PROPN
admet-794	5	29	25	25	NUM
admet-794	5	30	,	,	PUNCT
admet-794	5	31	2020	2020	NUM
admet-794	5	32	abstract	abstract	VERB
admet-794	5	33	the	the	DET
admet-794	5	34	aim	aim	NOUN
admet-794	5	35	of	of	ADP
admet-794	5	36	the	the	DET
admet-794	5	37	study	study	NOUN
admet-794	5	38	was	be	AUX
admet-794	5	39	to	to	PART
admet-794	5	40	explore	explore	VERB
admet-794	5	41	to	to	ADP
admet-794	5	42	what	what	DET
admet-794	5	43	extent	extent	NOUN
admet-794	5	44	small	small	ADJ
admet-794	5	45	molecules	molecule	NOUN
admet-794	5	46	(	(	PUNCT
admet-794	5	47	mostly	mostly	ADV
admet-794	5	48	from	from	ADP
admet-794	5	49	the	the	DET
admet-794	5	50	rule	rule	NOUN
admet-794	5	51	of	of	ADP
admet-794	5	52	5	5	NUM
admet-794	5	53	chemical	chemical	NOUN
admet-794	5	54	space	space	NOUN
admet-794	5	55	)	)	PUNCT
admet-794	5	56	can	can	AUX
admet-794	5	57	be	be	AUX
admet-794	5	58	used	use	VERB
admet-794	5	59	to	to	PART
admet-794	5	60	predict	predict	VERB
admet-794	5	61	the	the	DET
admet-794	5	62	intrinsic	intrinsic	ADJ
admet-794	5	63	aqueous	aqueous	ADJ
admet-794	5	64	solubility	solubility	NOUN
admet-794	5	65	,	,	PUNCT
admet-794	5	66	s0	s0	PROPN
admet-794	5	67	,	,	PUNCT
admet-794	5	68	of	of	ADP
admet-794	5	69	big	big	ADJ
admet-794	5	70	molecules	molecule	NOUN
admet-794	5	71	from	from	ADP
admet-794	5	72	beyond	beyond	ADP
admet-794	5	73	the	the	DET
admet-794	5	74	rule	rule	NOUN
admet-794	5	75	of	of	ADP
admet-794	5	76	5	5	NUM
admet-794	5	77	(	(	PUNCT
admet-794	5	78	bro5	bro5	NOUN
admet-794	5	79	)	)	PUNCT
admet-794	5	80	space	space	NOUN
admet-794	5	81	.	.	PUNCT
admet-794	6	1	it	it	PRON
admet-794	6	2	was	be	AUX
admet-794	6	3	demonstrated	demonstrate	VERB
admet-794	6	4	that	that	SCONJ
admet-794	6	5	the	the	DET
admet-794	6	6	general	general	ADJ
admet-794	6	7	solubility	solubility	NOUN
admet-794	6	8	equation	equation	NOUN
admet-794	6	9	(	(	PUNCT
admet-794	6	10	gse	gse	PROPN
admet-794	6	11	)	)	PUNCT
admet-794	6	12	and	and	CCONJ
admet-794	6	13	the	the	DET
admet-794	6	14	abraham	abraham	PROPN
admet-794	6	15	solvation	solvation	NOUN
admet-794	6	16	equation	equation	NOUN
admet-794	6	17	(	(	PUNCT
admet-794	6	18	absolv	absolv	NOUN
admet-794	6	19	)	)	PUNCT
admet-794	6	20	underpredict	underpredict	NOUN
admet-794	6	21	solubility	solubility	NOUN
admet-794	6	22	in	in	ADP
admet-794	6	23	systematic	systematic	ADJ
admet-794	6	24	but	but	CCONJ
admet-794	6	25	slightly	slightly	ADJ
admet-794	6	26	ways	way	NOUN
admet-794	6	27	.	.	PUNCT
admet-794	7	1	the	the	DET
admet-794	7	2	random	random	ADJ
admet-794	7	3	forest	forest	NOUN
admet-794	7	4	regression	regression	NOUN
admet-794	7	5	(	(	PUNCT
admet-794	7	6	rfr	rfr	PROPN
admet-794	7	7	)	)	PUNCT
admet-794	7	8	method	method	NOUN
admet-794	7	9	predicts	predict	VERB
admet-794	7	10	solubility	solubility	NOUN
admet-794	7	11	more	more	ADV
admet-794	7	12	accurately	accurately	ADV
admet-794	7	13	,	,	PUNCT
admet-794	7	14	albeit	albeit	SCONJ
admet-794	7	15	in	in	ADP
admet-794	7	16	the	the	DET
admet-794	7	17	manner	manner	NOUN
admet-794	7	18	of	of	ADP
admet-794	7	19	a	a	DET
admet-794	7	20	‘	'	PUNCT
admet-794	7	21	black	black	ADJ
admet-794	7	22	box	box	NOUN
admet-794	7	23	.	.	PUNCT
admet-794	7	24	’	'	PUNCT
admet-794	8	1	it	it	PRON
admet-794	8	2	was	be	AUX
admet-794	8	3	discovered	discover	VERB
admet-794	8	4	that	that	SCONJ
admet-794	8	5	the	the	DET
admet-794	8	6	gse	gse	PROPN
admet-794	8	7	improves	improve	VERB
admet-794	8	8	considerably	considerably	ADV
admet-794	8	9	in	in	ADP
admet-794	8	10	the	the	DET
admet-794	8	11	case	case	NOUN
admet-794	8	12	of	of	ADP
admet-794	8	13	big	big	ADJ
admet-794	8	14	molecules	molecule	NOUN
admet-794	8	15	when	when	SCONJ
admet-794	8	16	the	the	DET
admet-794	8	17	coefficient	coefficient	NOUN
admet-794	8	18	of	of	ADP
admet-794	8	19	the	the	DET
admet-794	8	20	log	log	NOUN
admet-794	8	21	p	p	NOUN
admet-794	8	22	term	term	NOUN
admet-794	8	23	(	(	PUNCT
admet-794	8	24	octanol	octanol	NOUN
admet-794	8	25	-	-	PUNCT
admet-794	8	26	water	water	NOUN
admet-794	8	27	partition	partition	NOUN
admet-794	8	28	coefficient	coefficient	NOUN
admet-794	8	29	)	)	PUNCT
admet-794	8	30	in	in	ADP
admet-794	8	31	the	the	DET
admet-794	8	32	equation	equation	NOUN
admet-794	8	33	is	be	AUX
admet-794	8	34	set	set	VERB
admet-794	8	35	to	to	ADP
admet-794	8	36	-0.4	-0.4	ADP
admet-794	8	37	instead	instead	ADV
admet-794	8	38	of	of	ADP
admet-794	8	39	the	the	DET
admet-794	8	40	traditional	traditional	ADJ
admet-794	8	41	-1	-1	ADJ
admet-794	8	42	value	value	NOUN
admet-794	8	43	.	.	PUNCT
admet-794	9	1	the	the	DET
admet-794	9	2	traditional	traditional	ADJ
admet-794	9	3	gse	gse	PROPN
admet-794	9	4	underpredicts	underpredict	NOUN
admet-794	9	5	solubility	solubility	NOUN
admet-794	9	6	for	for	ADP
admet-794	9	7	molecules	molecule	NOUN
admet-794	9	8	with	with	ADP
admet-794	9	9	experimental	experimental	ADJ
admet-794	9	10	s0	s0	NOUN
admet-794	9	11	<	<	X
admet-794	9	12	50	50	NUM
admet-794	9	13	µm	µm	NOUN
admet-794	9	14	.	.	PUNCT
admet-794	10	1	in	in	ADP
admet-794	10	2	contrast	contrast	NOUN
admet-794	10	3	,	,	PUNCT
admet-794	10	4	the	the	DET
admet-794	10	5	absolv	absolv	ADJ
admet-794	10	6	equation	equation	NOUN
admet-794	10	7	(	(	PUNCT
admet-794	10	8	trained	train	VERB
admet-794	10	9	with	with	ADP
admet-794	10	10	small	small	ADJ
admet-794	10	11	molecules	molecule	NOUN
admet-794	10	12	)	)	PUNCT
admet-794	10	13	underpredicts	underpredict	VERB
admet-794	10	14	the	the	DET
admet-794	10	15	solubility	solubility	NOUN
admet-794	10	16	of	of	ADP
admet-794	10	17	big	big	ADJ
admet-794	10	18	molecules	molecule	NOUN
admet-794	10	19	in	in	ADP
admet-794	10	20	all	all	DET
admet-794	10	21	cases	case	NOUN
admet-794	10	22	tested	test	VERB
admet-794	10	23	.	.	PUNCT
admet-794	11	1	it	it	PRON
admet-794	11	2	was	be	AUX
admet-794	11	3	found	find	VERB
admet-794	11	4	that	that	SCONJ
admet-794	11	5	the	the	DET
admet-794	11	6	errors	error	NOUN
admet-794	11	7	in	in	ADP
admet-794	11	8	the	the	DET
admet-794	11	9	absolv	absolv	NOUN
admet-794	11	10	-	-	PUNCT
admet-794	11	11	predicted	predict	VERB
admet-794	11	12	solubilities	solubility	NOUN
admet-794	11	13	of	of	ADP
admet-794	11	14	big	big	ADJ
admet-794	11	15	molecules	molecule	NOUN
admet-794	11	16	correlate	correlate	VERB
admet-794	11	17	linearly	linearly	ADV
admet-794	11	18	with	with	ADP
admet-794	11	19	the	the	DET
admet-794	11	20	number	number	NOUN
admet-794	11	21	of	of	ADP
admet-794	11	22	rotatable	rotatable	ADJ
admet-794	11	23	bonds	bond	NOUN
admet-794	11	24	,	,	PUNCT
admet-794	11	25	which	which	PRON
admet-794	11	26	suggests	suggest	VERB
admet-794	11	27	that	that	SCONJ
admet-794	11	28	flexibility	flexibility	NOUN
admet-794	11	29	may	may	AUX
admet-794	11	30	be	be	AUX
admet-794	11	31	an	an	DET
admet-794	11	32	important	important	ADJ
admet-794	11	33	factor	factor	NOUN
admet-794	11	34	in	in	ADP
admet-794	11	35	differentiating	differentiate	VERB
admet-794	11	36	solubility	solubility	NOUN
admet-794	11	37	of	of	ADP
admet-794	11	38	small	small	ADJ
admet-794	11	39	from	from	ADP
admet-794	11	40	big	big	ADJ
admet-794	11	41	molecules	molecule	NOUN
admet-794	11	42	.	.	PUNCT
admet-794	12	1	notably	notably	ADV
admet-794	12	2	,	,	PUNCT
admet-794	12	3	most	most	ADJ
admet-794	12	4	of	of	ADP
admet-794	12	5	the	the	DET
admet-794	12	6	31	31	NUM
admet-794	12	7	big	big	ADJ
admet-794	12	8	molecules	molecule	NOUN
admet-794	12	9	considered	consider	VERB
admet-794	12	10	have	have	VERB
admet-794	12	11	negative	negative	ADJ
admet-794	12	12	enthalpy	enthalpy	NOUN
admet-794	12	13	of	of	ADP
admet-794	12	14	solution	solution	NOUN
admet-794	12	15	:	:	PUNCT
admet-794	12	16	these	these	DET
admet-794	12	17	big	big	ADJ
admet-794	12	18	molecules	molecule	NOUN
admet-794	12	19	become	become	VERB
admet-794	12	20	less	less	ADV
admet-794	12	21	soluble	soluble	ADJ
admet-794	12	22	with	with	ADP
admet-794	12	23	increasing	increase	VERB
admet-794	12	24	temperature	temperature	NOUN
admet-794	12	25	,	,	PUNCT
admet-794	12	26	which	which	PRON
admet-794	12	27	is	be	AUX
admet-794	12	28	compatible	compatible	ADJ
admet-794	12	29	with	with	ADP
admet-794	12	30	‘	'	PUNCT
admet-794	12	31	molecular	molecular	ADJ
admet-794	12	32	chameleon	chameleon	NOUN
admet-794	12	33	’	'	PUNCT
admet-794	12	34	behavior	behavior	NOUN
admet-794	12	35	associated	associate	VERB
admet-794	12	36	with	with	ADP
admet-794	12	37	intramolecular	intramolecular	ADJ
admet-794	12	38	hydrogen	hydrogen	NOUN
admet-794	12	39	bonding	bonding	NOUN
admet-794	12	40	.	.	PUNCT
admet-794	13	1	the	the	DET
admet-794	13	2	x	x	NOUN
admet-794	13	3	-	-	NOUN
admet-794	13	4	ray	ray	NOUN
admet-794	13	5	structures	structure	NOUN
admet-794	13	6	of	of	ADP
admet-794	13	7	many	many	ADJ
admet-794	13	8	of	of	ADP
admet-794	13	9	these	these	DET
admet-794	13	10	molecules	molecule	NOUN
admet-794	13	11	reveal	reveal	VERB
admet-794	13	12	void	void	ADJ
admet-794	13	13	spaces	space	NOUN
admet-794	13	14	in	in	ADP
admet-794	13	15	their	their	PRON
admet-794	13	16	crystal	crystal	NOUN
admet-794	13	17	lattices	lattice	NOUN
admet-794	13	18	large	large	ADJ
admet-794	13	19	enough	enough	ADV
admet-794	13	20	to	to	PART
admet-794	13	21	accommodate	accommodate	VERB
admet-794	13	22	many	many	ADJ
admet-794	13	23	water	water	NOUN
admet-794	13	24	molecules	molecule	NOUN
admet-794	13	25	when	when	SCONJ
admet-794	13	26	such	such	ADJ
admet-794	13	27	solids	solid	NOUN
admet-794	13	28	are	be	AUX
admet-794	13	29	in	in	ADP
admet-794	13	30	contact	contact	NOUN
admet-794	13	31	with	with	ADP
admet-794	13	32	aqueous	aqueous	ADJ
admet-794	13	33	media	medium	NOUN
admet-794	13	34	.	.	PUNCT
admet-794	14	1	the	the	DET
admet-794	14	2	water	water	NOUN
admet-794	14	3	sorbed	sorb	VERB
admet-794	14	4	into	into	ADP
admet-794	14	5	crystals	crystal	NOUN
admet-794	14	6	suspended	suspend	VERB
admet-794	14	7	in	in	ADP
admet-794	14	8	aqueous	aqueous	ADJ
admet-794	14	9	solution	solution	NOUN
admet-794	14	10	may	may	AUX
admet-794	14	11	enhance	enhance	VERB
admet-794	14	12	solubility	solubility	NOUN
admet-794	14	13	by	by	ADP
admet-794	14	14	way	way	NOUN
admet-794	14	15	of	of	ADP
admet-794	14	16	intra	intra	ADJ
admet-794	14	17	-	-	ADJ
admet-794	14	18	lattice	lattice	ADJ
admet-794	14	19	solute	solute	NOUN
admet-794	14	20	-	-	PUNCT
admet-794	14	21	water	water	NOUN
admet-794	14	22	interactions	interaction	NOUN
admet-794	14	23	involving	involve	VERB
admet-794	14	24	the	the	DET
admet-794	14	25	numerous	numerous	ADJ
admet-794	14	26	h	h	ADJ
admet-794	14	27	-	-	PUNCT
admet-794	14	28	bond	bond	NOUN
admet-794	14	29	acceptors	acceptor	NOUN
admet-794	14	30	in	in	ADP
admet-794	14	31	the	the	DET
admet-794	14	32	big	big	ADJ
admet-794	14	33	molecules	molecule	NOUN
admet-794	14	34	studied	study	VERB
admet-794	14	35	.	.	PUNCT
admet-794	15	1	a	a	DET
admet-794	15	2	‘	'	PUNCT
admet-794	15	3	solubility	solubility	NOUN
admet-794	15	4	enhancement	enhancement	NOUN
admet-794	15	5	–	–	PUNCT
admet-794	15	6	big	big	ADJ
admet-794	15	7	molecules	molecule	NOUN
admet-794	15	8	’	'	PUNCT
admet-794	15	9	index	index	NOUN
admet-794	15	10	was	be	AUX
admet-794	15	11	defined	define	VERB
admet-794	15	12	,	,	PUNCT
admet-794	15	13	which	which	PRON
admet-794	15	14	embodies	embody	VERB
admet-794	15	15	many	many	ADJ
admet-794	15	16	of	of	ADP
admet-794	15	17	the	the	DET
admet-794	15	18	above	above	ADJ
admet-794	15	19	findings	finding	NOUN
admet-794	15	20	.	.	PUNCT
admet-794	16	1	©	©	PROPN
admet-794	16	2	2020	2020	NUM
admet-794	16	3	by	by	ADP
admet-794	16	4	the	the	DET
admet-794	16	5	authors	author	NOUN
admet-794	16	6	.	.	PUNCT
admet-794	17	1	this	this	DET
admet-794	17	2	article	article	NOUN
admet-794	17	3	is	be	AUX
admet-794	17	4	an	an	DET
admet-794	17	5	open	open	ADJ
admet-794	17	6	-	-	PUNCT
admet-794	17	7	access	access	NOUN
admet-794	17	8	article	article	NOUN
admet-794	17	9	distributed	distribute	VERB
admet-794	17	10	under	under	ADP
admet-794	17	11	the	the	DET
admet-794	17	12	terms	term	NOUN
admet-794	17	13	and	and	CCONJ
admet-794	17	14	conditions	condition	NOUN
admet-794	17	15	of	of	ADP
admet-794	17	16	the	the	DET
admet-794	17	17	creative	creative	ADJ
admet-794	17	18	commons	common	NOUN
admet-794	17	19	attribution	attribution	NOUN
admet-794	17	20	license	license	NOUN
admet-794	17	21	(	(	PUNCT
admet-794	17	22	http://creativecommons.org/licenses/by/4.0/	http://creativecommons.org/licenses/by/4.0/	PROPN
admet-794	17	23	)	)	PUNCT
admet-794	17	24	.	.	PUNCT
admet-794	18	1	keywords	keyword	VERB
admet-794	18	2	aqueous	aqueous	ADJ
admet-794	18	3	intrinsic	intrinsic	ADJ
admet-794	18	4	solubility	solubility	NOUN
admet-794	18	5	;	;	PUNCT
admet-794	18	6	rule	rule	NOUN
admet-794	18	7	of	of	ADP
admet-794	18	8	5	5	NUM
admet-794	18	9	(	(	PUNCT
admet-794	18	10	ro5	ro5	NOUN
admet-794	18	11	)	)	PUNCT
admet-794	18	12	,	,	PUNCT
admet-794	18	13	beyond	beyond	ADP
admet-794	18	14	ro5	ro5	ADJ
admet-794	18	15	(	(	PUNCT
admet-794	18	16	bro5	bro5	NOUN
admet-794	18	17	)	)	PUNCT
admet-794	18	18	;	;	PUNCT
admet-794	18	19	general	general	ADJ
admet-794	18	20	solubility	solubility	NOUN
admet-794	18	21	equation	equation	NOUN
admet-794	18	22	(	(	PUNCT
admet-794	18	23	gse	gse	PROPN
admet-794	18	24	)	)	PUNCT
admet-794	18	25	;	;	PUNCT
admet-794	18	26	abraham	abraham	PROPN
admet-794	18	27	solvation	solvation	NOUN
admet-794	18	28	equation	equation	NOUN
admet-794	18	29	(	(	PUNCT
admet-794	18	30	absolv	absolv	PROPN
admet-794	18	31	)	)	PUNCT
admet-794	18	32	;	;	PUNCT
admet-794	18	33	partial	partial	ADJ
admet-794	18	34	least	least	ADJ
admet-794	18	35	squares	square	NOUN
admet-794	18	36	(	(	PUNCT
admet-794	18	37	pls	pls	INTJ
admet-794	18	38	)	)	PUNCT
admet-794	18	39	;	;	PUNCT
admet-794	18	40	random	random	ADJ
admet-794	18	41	forest	forest	NOUN
admet-794	18	42	regression	regression	NOUN
admet-794	18	43	(	(	PUNCT
admet-794	18	44	rfr	rfr	PROPN
admet-794	18	45	)	)	PUNCT
admet-794	18	46	;	;	PUNCT
admet-794	18	47	intramolecular	intramolecular	ADJ
admet-794	18	48	hydrogen	hydrogen	NOUN
admet-794	18	49	bonding	bonding	NOUN
admet-794	18	50	(	(	PUNCT
admet-794	18	51	imhb	imhb	NOUN
admet-794	18	52	)	)	PUNCT
admet-794	18	53	;	;	PUNCT
admet-794	18	54	solubility	solubility	NOUN
admet-794	18	55	enhancement	enhancement	NOUN
admet-794	18	56	–	–	PUNCT
admet-794	18	57	big	big	ADJ
admet-794	18	58	molecules	molecule	NOUN
admet-794	18	59	(	(	PUNCT
admet-794	18	60	sebm	sebm	PROPN
admet-794	18	61	)	)	PUNCT
admet-794	18	62	introduction	introduction	NOUN
admet-794	18	63	the	the	DET
admet-794	18	64	aqueous	aqueous	ADJ
admet-794	18	65	solubility	solubility	NOUN
admet-794	18	66	of	of	ADP
admet-794	18	67	compounds	compound	NOUN
admet-794	18	68	is	be	AUX
admet-794	18	69	an	an	DET
admet-794	18	70	important	important	ADJ
admet-794	18	71	physical	physical	ADJ
admet-794	18	72	property	property	NOUN
admet-794	18	73	to	to	PART
admet-794	18	74	assess	assess	VERB
admet-794	18	75	in	in	ADP
admet-794	18	76	pharmaceutical	pharmaceutical	ADJ
admet-794	18	77	research	research	NOUN
admet-794	18	78	and	and	CCONJ
admet-794	18	79	development	development	NOUN
admet-794	19	1	[	[	X
admet-794	19	2	1	1	NUM
admet-794	19	3	-	-	SYM
admet-794	19	4	4	4	NUM
admet-794	19	5	]	]	PUNCT
admet-794	19	6	.	.	PUNCT
admet-794	20	1	solubility	solubility	NOUN
admet-794	20	2	of	of	ADP
admet-794	20	3	potentially	potentially	ADV
admet-794	20	4	promising	promising	ADJ
admet-794	20	5	compounds	compound	NOUN
admet-794	20	6	not	not	PART
admet-794	20	7	yet	yet	ADV
admet-794	20	8	synthesized	synthesize	VERB
admet-794	20	9	may	may	AUX
admet-794	20	10	be	be	AUX
admet-794	20	11	estimated	estimate	VERB
admet-794	20	12	computationally	computationally	ADV
admet-794	20	13	.	.	PUNCT
admet-794	21	1	many	many	ADJ
admet-794	21	2	methods	method	NOUN
admet-794	21	3	for	for	ADP
admet-794	21	4	predicting	predict	VERB
admet-794	21	5	solubility	solubility	NOUN
admet-794	21	6	have	have	AUX
admet-794	21	7	been	be	AUX
admet-794	21	8	described	describe	VERB
admet-794	21	9	[	[	PUNCT
admet-794	21	10	5	5	NUM
admet-794	21	11	-	-	SYM
admet-794	21	12	7	7	NUM
admet-794	21	13	]	]	PUNCT
admet-794	21	14	,	,	PUNCT
admet-794	21	15	based	base	VERB
admet-794	21	16	on	on	ADP
admet-794	21	17	linear	linear	PROPN
admet-794	21	18	quantitative	quantitative	ADJ
admet-794	21	19	structure	structure	NOUN
admet-794	21	20	-	-	PUNCT
admet-794	21	21	property	property	NOUN
admet-794	21	22	relationship	relationship	NOUN
admet-794	21	23	(	(	PUNCT
admet-794	21	24	qspr	qspr	NOUN
admet-794	21	25	)	)	PUNCT
admet-794	21	26	approaches	approach	VERB
admet-794	21	27	[	[	X
admet-794	21	28	8	8	NUM
admet-794	21	29	-	-	SYM
admet-794	21	30	16	16	NUM
admet-794	21	31	]	]	PUNCT
admet-794	21	32	.	.	PUNCT
admet-794	22	1	more	more	ADJ
admet-794	22	2	recent	recent	ADJ
admet-794	22	3	methods	method	NOUN
admet-794	22	4	have	have	VERB
admet-794	22	5	http://dx.doi.org/10.5599/admet.794	http://dx.doi.org/10.5599/admet.794	ADJ
admet-794	22	6	http://dx.doi.org/10.5599/admet.7	http://dx.doi.org/10.5599/admet.7	PROPN
admet-794	22	7	http://www.pub.iapchem.org/ojs/index.php/admet/index	http://www.pub.iapchem.org/ojs/index.php/admet/index	NOUN
admet-794	22	8	mailto:alex@in-adme.com	mailto:alex@in-adme.com	PROPN
admet-794	22	9	http://creativecommons.org/licenses/by/4.0/	http://creativecommons.org/licenses/by/4.0/	PROPN
admet-794	22	10	admet	admet	PROPN
admet-794	22	11	&	&	CCONJ
admet-794	22	12	dmpk	dmpk	PROPN
admet-794	22	13	8(3	8(3	NUM
admet-794	22	14	)	)	PUNCT
admet-794	22	15	(	(	PUNCT
admet-794	22	16	2020	2020	NUM
admet-794	22	17	)	)	PUNCT
admet-794	22	18	180	180	NUM
admet-794	22	19	-	-	SYM
admet-794	22	20	206	206	NUM
admet-794	22	21	can	can	AUX
admet-794	22	22	small	small	ADJ
admet-794	22	23	drugs	drug	NOUN
admet-794	22	24	predict	predict	VERB
admet-794	22	25	log	log	NOUN
admet-794	22	26	s0	s0	PROPN
admet-794	22	27	of	of	ADP
admet-794	22	28	‘	'	PUNCT
admet-794	22	29	beyond	beyond	ADP
admet-794	22	30	rule	rule	NOUN
admet-794	22	31	of	of	ADP
admet-794	22	32	5	5	NUM
admet-794	22	33	’	'	PUNCT
admet-794	22	34	big	big	ADJ
admet-794	22	35	drugs	drug	NOUN
admet-794	22	36	?	?	PUNCT
admet-794	23	1	doi	doi	NOUN
admet-794	23	2	:	:	PUNCT
admet-794	23	3	http://dx.doi.org/10.5599/admet.794	http://dx.doi.org/10.5599/admet.794	ADJ
admet-794	23	4	181	181	NUM
admet-794	23	5	evolved	evolve	VERB
admet-794	23	6	using	use	VERB
admet-794	23	7	machine	machine	NOUN
admet-794	23	8	learning	learn	VERB
admet-794	23	9	statistical	statistical	ADJ
admet-794	23	10	methods	method	NOUN
admet-794	23	11	[	[	X
admet-794	23	12	17	17	NUM
admet-794	23	13	-	-	SYM
admet-794	23	14	20	20	NUM
admet-794	23	15	]	]	PUNCT
admet-794	23	16	.	.	PUNCT
admet-794	24	1	the	the	DET
admet-794	24	2	molecular	molecular	ADJ
admet-794	24	3	descriptors	descriptor	NOUN
admet-794	24	4	needed	need	VERB
admet-794	24	5	for	for	ADP
admet-794	24	6	these	these	DET
admet-794	24	7	predictions	prediction	NOUN
admet-794	24	8	are	be	AUX
admet-794	24	9	most	most	ADV
admet-794	24	10	often	often	ADV
admet-794	24	11	calculated	calculate	VERB
admet-794	24	12	from	from	ADP
admet-794	24	13	two	two	NUM
admet-794	24	14	-	-	PUNCT
admet-794	24	15	dimensional	dimensional	ADJ
admet-794	24	16	(	(	PUNCT
admet-794	24	17	2d	2d	NOUN
admet-794	24	18	)	)	PUNCT
admet-794	24	19	structures	structure	NOUN
admet-794	24	20	.	.	PUNCT
admet-794	25	1	in	in	ADP
admet-794	25	2	the	the	DET
admet-794	25	3	early	early	ADJ
admet-794	25	4	1990s	1990	NOUN
admet-794	25	5	,	,	PUNCT
admet-794	25	6	attrition	attrition	NOUN
admet-794	25	7	due	due	ADP
admet-794	25	8	to	to	ADP
admet-794	25	9	poor	poor	ADJ
admet-794	25	10	oral	oral	ADJ
admet-794	25	11	bioavailability	bioavailability	NOUN
admet-794	25	12	and	and	CCONJ
admet-794	25	13	pharmacokinetics	pharmacokinetic	NOUN
admet-794	25	14	(	(	PUNCT
admet-794	25	15	pk	pk	NOUN
admet-794	25	16	)	)	PUNCT
admet-794	25	17	was	be	AUX
admet-794	25	18	responsible	responsible	ADJ
admet-794	25	19	for	for	ADP
admet-794	25	20	nearly	nearly	ADV
admet-794	25	21	40	40	NUM
admet-794	25	22	%	%	NOUN
admet-794	25	23	of	of	ADP
admet-794	25	24	compounds	compound	NOUN
admet-794	25	25	being	be	AUX
admet-794	25	26	rejected	reject	VERB
admet-794	25	27	in	in	ADP
admet-794	25	28	clinical	clinical	ADJ
admet-794	25	29	studies	study	NOUN
admet-794	25	30	[	[	X
admet-794	25	31	21	21	NUM
admet-794	25	32	]	]	PUNCT
admet-794	25	33	.	.	PUNCT
admet-794	26	1	lipinski	lipinski	PROPN
admet-794	26	2	’s	’s	PART
admet-794	26	3	rule	rule	NOUN
admet-794	26	4	of	of	ADP
admet-794	26	5	5	5	NUM
admet-794	26	6	(	(	PUNCT
admet-794	26	7	ro5	ro5	NOUN
admet-794	26	8	)	)	PUNCT
admet-794	26	9	emerged	emerge	VERB
admet-794	26	10	as	as	ADP
admet-794	26	11	part	part	NOUN
admet-794	26	12	of	of	ADP
admet-794	26	13	the	the	DET
admet-794	26	14	effort	effort	NOUN
admet-794	26	15	to	to	PART
admet-794	26	16	address	address	VERB
admet-794	26	17	critical	critical	ADJ
admet-794	26	18	issues	issue	NOUN
admet-794	26	19	underlying	underlie	VERB
admet-794	26	20	the	the	DET
admet-794	26	21	high	high	ADJ
admet-794	26	22	attrition	attrition	NOUN
admet-794	26	23	[	[	X
admet-794	26	24	1	1	NUM
admet-794	26	25	]	]	PUNCT
admet-794	26	26	.	.	PUNCT
admet-794	27	1	the	the	DET
admet-794	27	2	ro5	ro5	ADJ
admet-794	27	3	guidelines	guideline	NOUN
admet-794	27	4	suggest	suggest	VERB
admet-794	27	5	that	that	SCONJ
admet-794	27	6	compounds	compound	NOUN
admet-794	27	7	are	be	AUX
admet-794	27	8	more	more	ADV
admet-794	27	9	likely	likely	ADJ
admet-794	27	10	to	to	PART
admet-794	27	11	be	be	AUX
admet-794	27	12	orally	orally	ADV
admet-794	27	13	bioavailable	bioavailable	ADJ
admet-794	27	14	if	if	SCONJ
admet-794	27	15	three	three	NUM
admet-794	27	16	or	or	CCONJ
admet-794	27	17	more	more	ADJ
admet-794	27	18	of	of	ADP
admet-794	27	19	these	these	DET
admet-794	27	20	rules	rule	NOUN
admet-794	27	21	are	be	AUX
admet-794	27	22	adhered	adhere	VERB
admet-794	27	23	to	to	ADP
admet-794	27	24	:	:	PUNCT
admet-794	27	25	molecular	molecular	ADJ
admet-794	27	26	weight	weight	NOUN
admet-794	27	27	,	,	PUNCT
admet-794	27	28	mw	mw	VERB
admet-794	27	29	≤	≤	NUM
admet-794	27	30	500	500	NUM
admet-794	27	31	da	da	NOUN
admet-794	27	32	,	,	PUNCT
admet-794	27	33	calculated	calculate	VERB
admet-794	27	34	octanol	octanol	NOUN
admet-794	27	35	-	-	PUNCT
admet-794	27	36	water	water	NOUN
admet-794	27	37	partition	partition	NOUN
admet-794	27	38	coefficient	coefficient	NOUN
admet-794	27	39	,	,	PUNCT
admet-794	27	40	clogp	clogp	ADJ
admet-794	27	41	≤	≤	NUM
admet-794	27	42	5	5	NUM
admet-794	27	43	,	,	PUNCT
admet-794	27	44	number	number	NOUN
admet-794	27	45	of	of	ADP
admet-794	27	46	h	h	NOUN
admet-794	27	47	-	-	PUNCT
admet-794	27	48	bond	bond	NOUN
admet-794	27	49	donors	donor	NOUN
admet-794	27	50	,	,	PUNCT
admet-794	27	51	nhd	nhd	VERB
admet-794	27	52	≤	≤	ADJ
admet-794	27	53	5	5	NUM
admet-794	27	54	,	,	PUNCT
admet-794	27	55	and	and	CCONJ
admet-794	27	56	number	number	NOUN
admet-794	27	57	of	of	ADP
admet-794	27	58	h	h	NOUN
admet-794	27	59	-	-	PUNCT
admet-794	27	60	bond	bond	NOUN
admet-794	27	61	acceptors	acceptor	NOUN
admet-794	27	62	,	,	PUNCT
admet-794	27	63	nha	nha	X
admet-794	27	64	≤	≤	NUM
admet-794	27	65	10	10	NUM
admet-794	27	66	.	.	PUNCT
admet-794	28	1	high	high	ADJ
admet-794	28	2	-	-	PUNCT
admet-794	28	3	throughput	throughput	NOUN
admet-794	28	4	screening	screening	NOUN
admet-794	28	5	strategies	strategy	NOUN
admet-794	28	6	of	of	ADP
admet-794	28	7	physicochemical	physicochemical	ADJ
admet-794	28	8	properties	property	NOUN
admet-794	28	9	of	of	ADP
admet-794	28	10	research	research	NOUN
admet-794	28	11	compounds	compound	NOUN
admet-794	28	12	led	lead	VERB
admet-794	28	13	to	to	ADP
admet-794	28	14	improvements	improvement	NOUN
admet-794	28	15	.	.	PUNCT
admet-794	29	1	by	by	ADP
admet-794	29	2	the	the	DET
admet-794	29	3	new	new	ADJ
admet-794	29	4	millennium	millennium	NOUN
admet-794	29	5	,	,	PUNCT
admet-794	29	6	attrition	attrition	NOUN
admet-794	29	7	due	due	ADP
admet-794	29	8	to	to	ADP
admet-794	29	9	pk	pk	NOUN
admet-794	29	10	was	be	AUX
admet-794	29	11	reduced	reduce	VERB
admet-794	29	12	to	to	ADP
admet-794	29	13	below	below	ADP
admet-794	29	14	10	10	NUM
admet-794	29	15	%	%	NOUN
admet-794	29	16	[	[	X
admet-794	29	17	22	22	NUM
admet-794	29	18	]	]	PUNCT
admet-794	29	19	.	.	PUNCT
admet-794	30	1	however	however	ADV
admet-794	30	2	,	,	PUNCT
admet-794	30	3	many	many	ADJ
admet-794	30	4	recently	recently	ADV
admet-794	30	5	approved	approve	VERB
admet-794	30	6	drugs	drug	NOUN
admet-794	30	7	are	be	AUX
admet-794	30	8	larger	large	ADJ
admet-794	30	9	,	,	PUNCT
admet-794	30	10	more	more	ADV
admet-794	30	11	lipophilic	lipophilic	ADJ
admet-794	30	12	,	,	PUNCT
admet-794	30	13	and	and	CCONJ
admet-794	30	14	possess	possess	VERB
admet-794	30	15	more	more	ADJ
admet-794	30	16	h	h	NOUN
admet-794	30	17	-	-	PUNCT
admet-794	30	18	bond	bond	NOUN
admet-794	30	19	acceptors	acceptor	NOUN
admet-794	30	20	,	,	PUNCT
admet-794	30	21	compared	compare	VERB
admet-794	30	22	to	to	ADP
admet-794	30	23	drugs	drug	NOUN
admet-794	30	24	in	in	ADP
admet-794	30	25	the	the	DET
admet-794	30	26	ro5	ro5	ADJ
admet-794	30	27	chemical	chemical	NOUN
admet-794	30	28	space	space	NOUN
admet-794	30	29	[	[	X
admet-794	30	30	22	22	NUM
admet-794	30	31	]	]	PUNCT
admet-794	30	32	.	.	PUNCT
admet-794	31	1	many	many	ADJ
admet-794	31	2	of	of	ADP
admet-794	31	3	the	the	DET
admet-794	31	4	newly	newly	ADV
admet-794	31	5	-	-	PUNCT
admet-794	31	6	approved	approve	VERB
admet-794	31	7	therapeutics	therapeutic	NOUN
admet-794	31	8	are	be	AUX
admet-794	31	9	used	use	VERB
admet-794	31	10	in	in	ADP
admet-794	31	11	immunosuppression	immunosuppression	NOUN
admet-794	31	12	,	,	PUNCT
admet-794	31	13	treatment	treatment	NOUN
admet-794	31	14	of	of	ADP
admet-794	31	15	infectious	infectious	ADJ
admet-794	31	16	/	/	SYM
admet-794	31	17	viral	viral	ADJ
admet-794	31	18	diseases	disease	NOUN
admet-794	31	19	,	,	PUNCT
admet-794	31	20	and	and	CCONJ
admet-794	31	21	in	in	ADP
admet-794	31	22	oncology	oncology	NOUN
admet-794	31	23	.	.	PUNCT
admet-794	32	1	since	since	SCONJ
admet-794	32	2	2014	2014	NUM
admet-794	32	3	,	,	PUNCT
admet-794	32	4	an	an	DET
admet-794	32	5	increasing	increase	VERB
admet-794	32	6	number	number	NOUN
admet-794	32	7	of	of	ADP
admet-794	32	8	‘	'	PUNCT
admet-794	32	9	beyond	beyond	ADP
admet-794	32	10	the	the	DET
admet-794	32	11	rule	rule	NOUN
admet-794	32	12	of	of	ADP
admet-794	32	13	5	5	NUM
admet-794	32	14	’	'	PUNCT
admet-794	32	15	(	(	PUNCT
admet-794	32	16	bro5	bro5	NOUN
admet-794	32	17	)	)	PUNCT
admet-794	32	18	commentaries	commentary	NOUN
admet-794	32	19	have	have	AUX
admet-794	32	20	stressed	stress	VERB
admet-794	32	21	that	that	SCONJ
admet-794	32	22	the	the	DET
admet-794	32	23	strict	strict	ADJ
admet-794	32	24	adherence	adherence	NOUN
admet-794	32	25	to	to	ADP
admet-794	32	26	the	the	DET
admet-794	32	27	ro5	ro5	NOUN
admet-794	32	28	may	may	AUX
admet-794	32	29	result	result	VERB
admet-794	32	30	in	in	ADP
admet-794	32	31	lost	lost	ADJ
admet-794	32	32	opportunities	opportunity	NOUN
admet-794	32	33	[	[	X
admet-794	32	34	21	21	NUM
admet-794	32	35	-	-	SYM
admet-794	32	36	30	30	NUM
admet-794	32	37	]	]	PUNCT
admet-794	32	38	.	.	PUNCT
admet-794	33	1	cell	cell	NOUN
admet-794	33	2	-	-	PUNCT
admet-794	33	3	permeable	permeable	ADJ
admet-794	33	4	and	and	CCONJ
admet-794	33	5	orally	orally	ADV
admet-794	33	6	-	-	PUNCT
admet-794	33	7	bioavailable	bioavailable	ADJ
admet-794	33	8	drugs	drug	NOUN
admet-794	33	9	can	can	AUX
admet-794	33	10	be	be	AUX
admet-794	33	11	discovered	discover	VERB
admet-794	33	12	far	far	ADV
admet-794	33	13	into	into	ADP
admet-794	33	14	bro5	bro5	NOUN
admet-794	33	15	chemical	chemical	NOUN
admet-794	33	16	space	space	NOUN
admet-794	33	17	.	.	PUNCT
admet-794	34	1	some	some	PRON
admet-794	34	2	of	of	ADP
admet-794	34	3	these	these	DET
admet-794	34	4	drugs	drug	NOUN
admet-794	34	5	are	be	AUX
admet-794	34	6	derived	derive	VERB
admet-794	34	7	from	from	ADP
admet-794	34	8	natural	natural	ADJ
admet-794	34	9	products	product	NOUN
admet-794	34	10	,	,	PUNCT
admet-794	34	11	which	which	PRON
admet-794	34	12	appear	appear	VERB
admet-794	34	13	to	to	PART
admet-794	34	14	be	be	AUX
admet-794	34	15	better	well	ADV
admet-794	34	16	suited	suit	VERB
admet-794	34	17	for	for	ADP
admet-794	34	18	the	the	DET
admet-794	34	19	newer	new	ADJ
admet-794	34	20	targets	target	NOUN
admet-794	34	21	which	which	PRON
admet-794	34	22	possess	possess	VERB
admet-794	34	23	large	large	ADJ
admet-794	34	24	and	and	CCONJ
admet-794	34	25	flat	flat	ADJ
admet-794	34	26	binding	bind	VERB
admet-794	34	27	sites	site	NOUN
admet-794	34	28	.	.	PUNCT
admet-794	35	1	nevertheless	nevertheless	ADV
admet-794	35	2	,	,	PUNCT
admet-794	35	3	concerns	concern	NOUN
admet-794	35	4	have	have	AUX
admet-794	35	5	been	be	AUX
admet-794	35	6	raised	raise	VERB
admet-794	35	7	over	over	ADP
admet-794	35	8	the	the	DET
admet-794	35	9	expected	expect	VERB
admet-794	35	10	higher	high	ADJ
admet-794	35	11	pharmacokinetic	pharmacokinetic	ADJ
admet-794	35	12	risks	risk	NOUN
admet-794	35	13	from	from	ADP
admet-794	35	14	bro5	bro5	NOUN
admet-794	35	15	compounds	compound	NOUN
admet-794	35	16	:	:	PUNCT
admet-794	35	17	low	low	ADJ
admet-794	35	18	solubility	solubility	NOUN
admet-794	35	19	,	,	PUNCT
admet-794	35	20	poor	poor	ADJ
admet-794	35	21	cell	cell	NOUN
admet-794	35	22	permeability	permeability	NOUN
admet-794	35	23	,	,	PUNCT
admet-794	35	24	increased	increase	VERB
admet-794	35	25	cellular	cellular	ADJ
admet-794	35	26	efflux	efflux	NOUN
admet-794	35	27	,	,	PUNCT
admet-794	35	28	and	and	CCONJ
admet-794	35	29	extensive	extensive	ADJ
admet-794	35	30	metabolism	metabolism	NOUN
admet-794	35	31	.	.	PUNCT
admet-794	36	1	medicinal	medicinal	ADJ
admet-794	36	2	chemists	chemist	NOUN
admet-794	36	3	have	have	AUX
admet-794	36	4	applied	apply	VERB
admet-794	36	5	tactics	tactic	NOUN
admet-794	36	6	to	to	PART
admet-794	36	7	lessen	lessen	VERB
admet-794	36	8	some	some	PRON
admet-794	36	9	of	of	ADP
admet-794	36	10	the	the	DET
admet-794	36	11	risks	risk	NOUN
admet-794	36	12	:	:	PUNCT
admet-794	36	13	(	(	PUNCT
admet-794	36	14	a	a	X
admet-794	36	15	)	)	PUNCT
admet-794	36	16	reducing	reduce	VERB
admet-794	36	17	or	or	CCONJ
admet-794	36	18	shielding	shield	VERB
admet-794	36	19	polarity	polarity	NOUN
admet-794	36	20	by	by	ADP
admet-794	36	21	n	n	CCONJ
admet-794	36	22	-	-	PUNCT
admet-794	36	23	methylation	methylation	NOUN
admet-794	36	24	,	,	PUNCT
admet-794	36	25	or	or	CCONJ
admet-794	36	26	by	by	ADP
admet-794	36	27	bulky	bulky	ADJ
admet-794	36	28	side	side	NOUN
admet-794	36	29	chains	chain	NOUN
admet-794	36	30	,	,	PUNCT
admet-794	36	31	(	(	PUNCT
admet-794	36	32	b	b	X
admet-794	36	33	)	)	PUNCT
admet-794	36	34	selecting	select	VERB
admet-794	36	35	compounds	compound	NOUN
admet-794	36	36	with	with	ADP
admet-794	36	37	flexible	flexible	ADJ
admet-794	36	38	rings	ring	NOUN
admet-794	36	39	structures	structure	NOUN
admet-794	36	40	allowing	allow	VERB
admet-794	36	41	for	for	ADP
admet-794	36	42	conformational	conformational	ADJ
admet-794	36	43	lability	lability	NOUN
admet-794	36	44	,	,	PUNCT
admet-794	36	45	and	and	CCONJ
admet-794	36	46	(	(	PUNCT
admet-794	36	47	c	c	NOUN
admet-794	36	48	)	)	PUNCT
admet-794	36	49	selecting	select	VERB
admet-794	36	50	compounds	compound	NOUN
admet-794	36	51	which	which	PRON
admet-794	36	52	can	can	AUX
admet-794	36	53	reversibly	reversibly	ADV
admet-794	36	54	form	form	VERB
admet-794	36	55	multiple	multiple	ADJ
admet-794	36	56	intramolecular	intramolecular	ADJ
admet-794	36	57	h	h	NOUN
admet-794	36	58	-	-	PUNCT
admet-794	36	59	bonds	bond	NOUN
admet-794	36	60	(	(	PUNCT
admet-794	36	61	imhb	imhb	NOUN
admet-794	36	62	)	)	PUNCT
admet-794	36	63	to	to	PART
admet-794	36	64	shield	shield	VERB
admet-794	36	65	polar	polar	ADJ
admet-794	36	66	groups	group	NOUN
admet-794	36	67	during	during	ADP
admet-794	36	68	passage	passage	NOUN
admet-794	36	69	across	across	ADP
admet-794	36	70	lipoidal	lipoidal	ADJ
admet-794	36	71	cell	cell	NOUN
admet-794	36	72	barriers	barrier	NOUN
admet-794	36	73	,	,	PUNCT
admet-794	36	74	in	in	ADP
admet-794	36	75	the	the	DET
admet-794	36	76	manner	manner	NOUN
admet-794	36	77	of	of	ADP
admet-794	36	78	‘	'	PUNCT
admet-794	36	79	molecular	molecular	ADJ
admet-794	36	80	chameleons	chameleon	NOUN
admet-794	36	81	’	'	PUNCT
admet-794	37	1	[	[	X
admet-794	37	2	26	26	NUM
admet-794	37	3	-	-	SYM
admet-794	37	4	31	31	NUM
admet-794	37	5	]	]	PUNCT
admet-794	37	6	.	.	PUNCT
admet-794	38	1	although	although	SCONJ
admet-794	38	2	most	most	ADJ
admet-794	38	3	of	of	ADP
admet-794	38	4	the	the	DET
admet-794	38	5	bro5	bro5	NOUN
admet-794	38	6	commentaries	commentary	NOUN
admet-794	38	7	have	have	AUX
admet-794	38	8	emphasized	emphasize	VERB
admet-794	38	9	permeability	permeability	NOUN
admet-794	38	10	,	,	PUNCT
admet-794	38	11	absorption	absorption	NOUN
admet-794	38	12	,	,	PUNCT
admet-794	38	13	and	and	CCONJ
admet-794	38	14	potency	potency	NOUN
admet-794	38	15	topics	topic	NOUN
admet-794	38	16	,	,	PUNCT
admet-794	38	17	bergström	bergström	NOUN
admet-794	38	18	et	et	PROPN
admet-794	38	19	al	al	PROPN
admet-794	38	20	.	.	PUNCT
admet-794	39	1	[	[	X
admet-794	39	2	25	25	NUM
admet-794	39	3	]	]	PUNCT
admet-794	39	4	focused	focus	VERB
admet-794	39	5	on	on	ADP
admet-794	39	6	solubility	solubility	NOUN
admet-794	39	7	aspects	aspect	NOUN
admet-794	39	8	and	and	CCONJ
admet-794	39	9	the	the	DET
admet-794	39	10	promising	promising	ADJ
admet-794	39	11	computational	computational	ADJ
admet-794	39	12	biopharmaceutical	biopharmaceutical	NOUN
admet-794	39	13	modeling	modeling	NOUN
admet-794	39	14	strategies	strategy	NOUN
admet-794	39	15	to	to	PART
admet-794	39	16	help	help	AUX
admet-794	39	17	identify	identify	VERB
admet-794	39	18	‘	'	PUNCT
admet-794	39	19	formulate	formulate	ADJ
admet-794	39	20	-	-	PUNCT
admet-794	39	21	ability	ability	NOUN
admet-794	39	22	’	'	PUNCT
admet-794	39	23	during	during	ADP
admet-794	39	24	lead	lead	ADJ
admet-794	39	25	optimization	optimization	NOUN
admet-794	39	26	and	and	CCONJ
admet-794	39	27	early	early	ADJ
admet-794	39	28	development	development	NOUN
admet-794	39	29	stages	stage	NOUN
admet-794	39	30	of	of	ADP
admet-794	39	31	bro5	bro5	NOUN
admet-794	39	32	compounds	compound	NOUN
admet-794	39	33	.	.	PUNCT
admet-794	40	1	caron	caron	PROPN
admet-794	40	2	et	et	PROPN
admet-794	40	3	al	al	PROPN
admet-794	40	4	.	.	PUNCT
admet-794	41	1	[	[	X
admet-794	41	2	29	29	NUM
admet-794	41	3	]	]	PUNCT
admet-794	41	4	considered	consider	VERB
admet-794	41	5	case	case	NOUN
admet-794	41	6	studies	study	NOUN
admet-794	41	7	of	of	ADP
admet-794	41	8	kinetic	kinetic	ADJ
admet-794	41	9	solubility	solubility	NOUN
admet-794	41	10	(	(	PUNCT
admet-794	41	11	measured	measure	VERB
admet-794	41	12	in	in	ADP
admet-794	41	13	ph	ph	ADJ
admet-794	41	14	7.4	7.4	NUM
admet-794	41	15	phosphate	phosphate	NOUN
admet-794	41	16	buffer	buffer	NOUN
admet-794	41	17	containing	contain	VERB
admet-794	41	18	1	1	NUM
admet-794	41	19	-	-	SYM
admet-794	41	20	5	5	NUM
admet-794	41	21	%	%	NOUN
admet-794	41	22	dmso	dmso	NOUN
admet-794	41	23	)	)	PUNCT
admet-794	41	24	of	of	ADP
admet-794	41	25	bro5	bro5	NOUN
admet-794	41	26	molecules	molecule	NOUN
admet-794	41	27	,	,	PUNCT
admet-794	41	28	in	in	ADP
admet-794	41	29	terms	term	NOUN
admet-794	41	30	of	of	ADP
admet-794	41	31	the	the	DET
admet-794	41	32	tendency	tendency	NOUN
admet-794	41	33	to	to	PART
admet-794	41	34	form	form	VERB
admet-794	41	35	imhbs	imhbs	ADJ
admet-794	41	36	and	and	CCONJ
admet-794	41	37	their	their	PRON
admet-794	41	38	effect	effect	NOUN
admet-794	41	39	on	on	ADP
admet-794	41	40	solubility	solubility	NOUN
admet-794	41	41	.	.	PUNCT
admet-794	42	1	in	in	ADP
admet-794	42	2	our	our	PRON
admet-794	42	3	preceding	precede	VERB
admet-794	42	4	study	study	NOUN
admet-794	42	5	[	[	X
admet-794	42	6	20	20	NUM
admet-794	42	7	]	]	PUNCT
admet-794	42	8	,	,	PUNCT
admet-794	42	9	three	three	NUM
admet-794	42	10	methods	method	NOUN
admet-794	42	11	of	of	ADP
admet-794	42	12	solubility	solubility	NOUN
admet-794	42	13	prediction	prediction	NOUN
admet-794	42	14	were	be	AUX
admet-794	42	15	compared	compare	VERB
admet-794	42	16	:	:	PUNCT
admet-794	42	17	(	(	PUNCT
admet-794	42	18	a	a	X
admet-794	42	19	)	)	PUNCT
admet-794	42	20	yalkowsky	yalkowsky	ADJ
admet-794	42	21	’s	’s	PART
admet-794	42	22	general	general	ADJ
admet-794	42	23	solubility	solubility	NOUN
admet-794	42	24	equation	equation	NOUN
admet-794	42	25	(	(	PUNCT
admet-794	42	26	gse	gse	PROPN
admet-794	42	27	)	)	PUNCT
admet-794	43	1	[	[	X
admet-794	43	2	8	8	NUM
admet-794	43	3	]	]	PUNCT
admet-794	43	4	,	,	PUNCT
admet-794	43	5	(	(	PUNCT
admet-794	43	6	b	b	X
admet-794	43	7	)	)	PUNCT
admet-794	43	8	abraham	abraham	PROPN
admet-794	43	9	solvation	solvation	NOUN
admet-794	43	10	equation	equation	NOUN
admet-794	43	11	(	(	PUNCT
admet-794	43	12	absolv	absolv	NOUN
admet-794	43	13	)	)	PUNCT
admet-794	44	1	[	[	X
admet-794	44	2	11	11	NUM
admet-794	44	3	]	]	PUNCT
admet-794	44	4	,	,	PUNCT
admet-794	44	5	and	and	CCONJ
admet-794	44	6	(	(	PUNCT
admet-794	44	7	c	c	X
admet-794	44	8	)	)	PUNCT
admet-794	44	9	random	random	ADJ
admet-794	44	10	forest	forest	NOUN
admet-794	44	11	regression	regression	NOUN
admet-794	44	12	(	(	PUNCT
admet-794	44	13	rfr	rfr	PROPN
admet-794	44	14	)	)	PUNCT
admet-794	45	1	[	[	X
admet-794	45	2	19	19	NUM
admet-794	45	3	]	]	X
admet-794	45	4	statistical	statistical	ADJ
admet-794	45	5	machine	machine	NOUN
admet-794	45	6	learning	learning	NOUN
admet-794	45	7	.	.	PUNCT
admet-794	46	1	the	the	DET
admet-794	46	2	linear	linear	PROPN
admet-794	46	3	absolv	absolv	PROPN
admet-794	46	4	and	and	CCONJ
admet-794	46	5	the	the	DET
admet-794	46	6	rfr	rfr	PROPN
admet-794	46	7	multiple	multiple	ADJ
admet-794	46	8	decision	decision	NOUN
admet-794	46	9	-	-	PUNCT
admet-794	46	10	tree	tree	NOUN
admet-794	46	11	methods	method	NOUN
admet-794	46	12	were	be	AUX
admet-794	46	13	trained	train	VERB
admet-794	46	14	with	with	ADP
admet-794	46	15	molecules	molecule	NOUN
admet-794	46	16	in	in	ADP
admet-794	46	17	the	the	DET
admet-794	46	18	wiki	wiki	NOUN
admet-794	46	19	-	-	PUNCT
admet-794	46	20	ps0	ps0	ADJ
admet-794	46	21	database	database	NOUN
admet-794	46	22	.	.	PUNCT
admet-794	47	1	thirty	thirty	NUM
admet-794	47	2	of	of	ADP
admet-794	47	3	the	the	DET
admet-794	47	4	most	most	ADV
admet-794	47	5	important	important	ADJ
admet-794	47	6	descriptors	descriptor	NOUN
admet-794	47	7	identified	identify	VERB
admet-794	47	8	in	in	ADP
admet-794	47	9	the	the	DET
admet-794	47	10	rfr	rfr	PROPN
admet-794	47	11	analysis	analysis	NOUN
admet-794	47	12	[	[	X
admet-794	47	13	20	20	NUM
admet-794	47	14	]	]	PUNCT
admet-794	47	15	were	be	AUX
admet-794	47	16	subjected	subject	VERB
admet-794	47	17	to	to	ADP
admet-794	47	18	principle	principle	ADJ
admet-794	47	19	components	component	NOUN
admet-794	47	20	analysis	analysis	NOUN
admet-794	47	21	(	(	PUNCT
admet-794	47	22	pca	pca	NOUN
admet-794	47	23	)	)	PUNCT
admet-794	47	24	.	.	PUNCT
admet-794	48	1	the	the	DET
admet-794	48	2	scores	score	NOUN
admet-794	48	3	plot	plot	NOUN
admet-794	48	4	had	have	VERB
admet-794	48	5	the	the	DET
admet-794	48	6	appearance	appearance	NOUN
admet-794	48	7	of	of	ADP
admet-794	48	8	a	a	DET
admet-794	48	9	‘	'	PUNCT
admet-794	48	10	comet	comet	NOUN
admet-794	48	11	’	'	PUNCT
admet-794	48	12	–	–	PUNCT
admet-794	48	13	with	with	ADP
admet-794	48	14	a	a	DET
admet-794	48	15	dense	dense	ADJ
admet-794	48	16	symmetrical	symmetrical	ADJ
admet-794	48	17	core	core	NOUN
admet-794	48	18	of	of	ADP
admet-794	48	19	ro5	ro5	ADJ
admet-794	48	20	compounds	compound	NOUN
admet-794	48	21	about	about	ADP
admet-794	48	22	the	the	DET
admet-794	48	23	origin	origin	NOUN
admet-794	48	24	of	of	ADP
admet-794	48	25	the	the	DET
admet-794	48	26	first	first	ADJ
admet-794	48	27	two	two	NUM
admet-794	48	28	principle	principle	ADJ
admet-794	48	29	components	component	NOUN
admet-794	48	30	and	and	CCONJ
admet-794	48	31	a	a	DET
admet-794	48	32	long	long	ADJ
admet-794	48	33	sparsely	sparsely	ADV
admet-794	48	34	-	-	PUNCT
admet-794	48	35	populated	populate	VERB
admet-794	48	36	tail	tail	NOUN
admet-794	48	37	of	of	ADP
admet-794	48	38	big	big	ADJ
admet-794	48	39	molecules	molecule	NOUN
admet-794	48	40	queuing	queue	VERB
admet-794	48	41	far	far	ADV
admet-794	48	42	into	into	ADP
admet-794	48	43	the	the	DET
admet-794	48	44	lower	low	ADJ
admet-794	48	45	-	-	PUNCT
admet-794	48	46	right	right	NOUN
admet-794	48	47	quadrant	quadrant	NOUN
admet-794	48	48	.	.	PUNCT
admet-794	49	1	the	the	DET
admet-794	49	2	molecules	molecule	NOUN
admet-794	49	3	in	in	ADP
admet-794	49	4	the	the	DET
admet-794	49	5	tail	tail	NOUN
admet-794	49	6	have	have	VERB
admet-794	49	7	high	high	ADJ
admet-794	49	8	h	h	NOUN
admet-794	49	9	-	-	PUNCT
admet-794	49	10	bond	bond	NOUN
admet-794	49	11	acceptor	acceptor	NOUN
admet-794	49	12	strength	strength	NOUN
admet-794	49	13	(	(	PUNCT
admet-794	49	14	nha	nha	NOUN
admet-794	49	15	)	)	PUNCT
admet-794	49	16	,	,	PUNCT
admet-794	49	17	topological	topological	ADJ
admet-794	49	18	polar	polar	ADJ
admet-794	49	19	surface	surface	NOUN
admet-794	49	20	area	area	NOUN
admet-794	49	21	(	(	PUNCT
admet-794	49	22	tpsa	tpsa	PROPN
admet-794	49	23	)	)	PUNCT
admet-794	49	24	,	,	PUNCT
admet-794	49	25	fraction	fraction	NOUN
admet-794	49	26	of	of	ADP
admet-794	49	27	sp3	sp3	ADJ
admet-794	49	28	carbons	carbon	NOUN
admet-794	49	29	(	(	PUNCT
admet-794	49	30	fractioncsp3	fractioncsp3	NOUN
admet-794	49	31	)	)	PUNCT
admet-794	49	32	,	,	PUNCT
admet-794	49	33	and	and	CCONJ
admet-794	49	34	possess	possess	VERB
admet-794	49	35	mw	mw	VERB
admet-794	49	36	>	>	X
admet-794	49	37	800	800	NUM
admet-794	49	38	da	da	NOUN
admet-794	49	39	–	–	PUNCT
admet-794	49	40	many	many	ADJ
admet-794	49	41	of	of	ADP
admet-794	49	42	the	the	DET
admet-794	49	43	recognized	recognize	VERB
admet-794	49	44	hallmarks	hallmark	NOUN
admet-794	49	45	of	of	ADP
admet-794	49	46	bro5	bro5	NOUN
admet-794	49	47	chemical	chemical	NOUN
admet-794	49	48	space	space	NOUN
admet-794	49	49	.	.	PUNCT
admet-794	50	1	the	the	DET
admet-794	50	2	aim	aim	NOUN
admet-794	50	3	of	of	ADP
admet-794	50	4	the	the	DET
admet-794	50	5	present	present	ADJ
admet-794	50	6	study	study	NOUN
admet-794	50	7	was	be	AUX
admet-794	50	8	to	to	PART
admet-794	50	9	explore	explore	VERB
admet-794	50	10	to	to	ADP
admet-794	50	11	what	what	DET
admet-794	50	12	extent	extent	NOUN
admet-794	50	13	small	small	ADJ
admet-794	50	14	molecules	molecule	NOUN
admet-794	50	15	(	(	PUNCT
admet-794	50	16	mostly	mostly	ADV
admet-794	50	17	ro5	ro5	ADJ
admet-794	50	18	)	)	PUNCT
admet-794	50	19	can	can	AUX
admet-794	50	20	be	be	AUX
admet-794	50	21	used	use	VERB
admet-794	50	22	to	to	PART
admet-794	50	23	predict	predict	VERB
admet-794	50	24	the	the	DET
admet-794	50	25	intrinsic	intrinsic	ADJ
admet-794	50	26	aqueous	aqueous	ADJ
admet-794	50	27	equilibrium	equilibrium	NOUN
admet-794	50	28	solubility	solubility	NOUN
admet-794	50	29	of	of	ADP
admet-794	50	30	big	big	ADJ
admet-794	50	31	molecules	molecule	NOUN
admet-794	50	32	(	(	PUNCT
admet-794	50	33	all	all	DET
admet-794	50	34	bro5	bro5	NOUN
admet-794	50	35	drugs	drug	NOUN
admet-794	50	36	)	)	PUNCT
admet-794	50	37	,	,	PUNCT
admet-794	50	38	i.e.	i.e.	X
admet-794	50	39	,	,	PUNCT
admet-794	50	40	can	can	AUX
admet-794	50	41	the	the	DET
admet-794	50	42	‘	'	PUNCT
admet-794	50	43	head	head	NOUN
admet-794	50	44	predict	predict	VERB
admet-794	50	45	the	the	DET
admet-794	50	46	tail	tail	NOUN
admet-794	50	47	’	'	PUNCT
admet-794	50	48	?	?	PUNCT
admet-794	51	1	http://dx.doi.org/10.5599/admet.794	http://dx.doi.org/10.5599/admet.794	ADJ
admet-794	51	2	alex	alex	PROPN
admet-794	51	3	avdeef	avdeef	PROPN
admet-794	51	4	and	and	CCONJ
admet-794	51	5	manfred	manfred	PROPN
admet-794	51	6	kansy	kansy	PROPN
admet-794	51	7	admet	admet	PROPN
admet-794	51	8	&	&	CCONJ
admet-794	51	9	dmpk	dmpk	PROPN
admet-794	51	10	8(3	8(3	NUM
admet-794	51	11	)	)	PUNCT
admet-794	51	12	(	(	PUNCT
admet-794	51	13	2020	2020	NUM
admet-794	51	14	)	)	PUNCT
admet-794	51	15	180	180	NUM
admet-794	51	16	-	-	SYM
admet-794	51	17	206	206	NUM
admet-794	51	18	182	182	NUM
admet-794	51	19	methods	method	NOUN
admet-794	51	20	computational	computational	ADJ
admet-794	51	21	models	model	NOUN
admet-794	51	22	three	three	NUM
admet-794	51	23	computational	computational	ADJ
admet-794	51	24	approaches	approach	NOUN
admet-794	51	25	described	describe	VERB
admet-794	51	26	below	below	ADP
admet-794	51	27	span	span	NOUN
admet-794	51	28	from	from	ADP
admet-794	51	29	the	the	DET
admet-794	51	30	theoretically	theoretically	ADV
admet-794	51	31	sound	sound	ADJ
admet-794	51	32	and	and	CCONJ
admet-794	51	33	easy	easy	ADJ
admet-794	51	34	-	-	PUNCT
admet-794	51	35	to	to	PART
admet-794	51	36	-	-	PUNCT
admet-794	51	37	use	use	VERB
admet-794	51	38	gse	gse	PROPN
admet-794	51	39	,	,	PUNCT
admet-794	51	40	the	the	DET
admet-794	51	41	sound	sound	ADJ
admet-794	51	42	and	and	CCONJ
admet-794	51	43	flexible	flexible	ADJ
admet-794	51	44	absolv	absolv	NOUN
admet-794	51	45	,	,	PUNCT
admet-794	51	46	and	and	CCONJ
admet-794	51	47	the	the	DET
admet-794	51	48	more	more	ADV
admet-794	51	49	accurate	accurate	ADJ
admet-794	51	50	(	(	PUNCT
admet-794	51	51	but	but	CCONJ
admet-794	51	52	somewhat	somewhat	ADV
admet-794	51	53	of	of	ADP
admet-794	51	54	a	a	DET
admet-794	51	55	‘	'	PUNCT
admet-794	51	56	black	black	ADJ
admet-794	51	57	box	box	NOUN
admet-794	51	58	’	'	PUNCT
admet-794	51	59	)	)	PUNCT
admet-794	52	1	rfr	rfr	PROPN
admet-794	52	2	.	.	PROPN
admet-794	52	3	general	general	PROPN
admet-794	52	4	solubility	solubility	NOUN
admet-794	52	5	equation	equation	NOUN
admet-794	52	6	(	(	PUNCT
admet-794	52	7	gse	gse	PROPN
admet-794	52	8	)	)	PUNCT
admet-794	52	9	expanding	expand	VERB
admet-794	52	10	on	on	ADP
admet-794	52	11	the	the	DET
admet-794	52	12	work	work	NOUN
admet-794	52	13	of	of	ADP
admet-794	52	14	irmann	irmann	PROPN
admet-794	52	15	[	[	X
admet-794	52	16	32	32	NUM
admet-794	52	17	]	]	PUNCT
admet-794	52	18	and	and	CCONJ
admet-794	52	19	hansch	hansch	VERB
admet-794	52	20	et	et	PROPN
admet-794	52	21	al	al	PROPN
admet-794	52	22	.	.	PUNCT
admet-794	53	1	[	[	X
admet-794	53	2	33	33	NUM
admet-794	53	3	]	]	PUNCT
admet-794	53	4	,	,	PUNCT
admet-794	53	5	yalkowsky	yalkowsky	ADJ
admet-794	53	6	and	and	CCONJ
admet-794	53	7	coworkers	coworker	NOUN
admet-794	53	8	in	in	ADP
admet-794	53	9	1980	1980	NUM
admet-794	53	10	developed	develop	VERB
admet-794	53	11	and	and	CCONJ
admet-794	53	12	thereafter	thereafter	ADV
admet-794	53	13	popularized	popularize	VERB
admet-794	53	14	the	the	DET
admet-794	53	15	general	general	ADJ
admet-794	53	16	solubility	solubility	NOUN
admet-794	53	17	equation	equation	NOUN
admet-794	53	18	(	(	PUNCT
admet-794	53	19	gse	gse	PROPN
admet-794	53	20	)	)	PUNCT
admet-794	53	21	,	,	PUNCT
admet-794	53	22	to	to	PART
admet-794	53	23	enable	enable	VERB
admet-794	53	24	the	the	DET
admet-794	53	25	prediction	prediction	NOUN
admet-794	53	26	of	of	ADP
admet-794	53	27	the	the	DET
admet-794	53	28	solubility	solubility	NOUN
admet-794	53	29	of	of	ADP
admet-794	53	30	organic	organic	ADJ
admet-794	53	31	molecules	molecule	NOUN
admet-794	53	32	in	in	ADP
admet-794	53	33	water	water	NOUN
admet-794	53	34	[	[	X
admet-794	53	35	8,9,34	8,9,34	NUM
admet-794	53	36	-	-	SYM
admet-794	53	37	38	38	NUM
admet-794	53	38	]	]	PUNCT
admet-794	53	39	.	.	PUNCT
admet-794	54	1	just	just	ADV
admet-794	54	2	two	two	NUM
admet-794	54	3	variables	variable	NOUN
admet-794	54	4	,	,	PUNCT
admet-794	54	5	melting	melting	NOUN
admet-794	54	6	point	point	NOUN
admet-794	54	7	(	(	PUNCT
admet-794	54	8	mp	mp	NOUN
admet-794	54	9	in	in	ADP
admet-794	54	10	°	°	NOUN
admet-794	54	11	c	c	NOUN
admet-794	54	12	)	)	PUNCT
admet-794	54	13	and	and	CCONJ
admet-794	54	14	octanolwater	octanolwater	NOUN
admet-794	54	15	partition	partition	NOUN
admet-794	54	16	coefficient	coefficient	NOUN
admet-794	54	17	,	,	PUNCT
admet-794	54	18	log	log	VERB
admet-794	54	19	p	p	PRON
admet-794	54	20	,	,	PUNCT
admet-794	54	21	are	be	AUX
admet-794	54	22	used	use	VERB
admet-794	54	23	in	in	ADP
admet-794	54	24	the	the	DET
admet-794	54	25	equation	equation	NOUN
admet-794	54	26	to	to	PART
admet-794	54	27	predict	predict	VERB
admet-794	54	28	solubility	solubility	NOUN
admet-794	54	29	(	(	PUNCT
admet-794	54	30	in	in	ADP
admet-794	54	31	log	log	NOUN
admet-794	54	32	molar	molar	ADJ
admet-794	54	33	units	unit	NOUN
admet-794	54	34	):	):	PUNCT
admet-794	54	35	log	log	NOUN
admet-794	54	36	s0	s0	PROPN
admet-794	54	37	gse	gse	PROPN
admet-794	54	38	=	=	PROPN
admet-794	54	39	0.5	0.5	NUM
admet-794	54	40	log	log	NOUN
admet-794	54	41	p	p	PROPN
admet-794	54	42	0.01(mp	0.01(mp	PROPN
admet-794	54	43	25	25	NUM
admet-794	54	44	)	)	PUNCT
admet-794	54	45	(	(	PUNCT
admet-794	54	46	1	1	X
admet-794	54	47	)	)	PUNCT
admet-794	54	48	below	below	ADV
admet-794	54	49	,	,	PUNCT
admet-794	54	50	the	the	DET
admet-794	54	51	derivation	derivation	NOUN
admet-794	54	52	of	of	ADP
admet-794	54	53	eq	eq	PROPN
admet-794	54	54	.	.	PUNCT
admet-794	55	1	(	(	PUNCT
admet-794	55	2	1	1	X
admet-794	55	3	)	)	PUNCT
admet-794	55	4	is	be	AUX
admet-794	55	5	briefly	briefly	ADV
admet-794	55	6	reviewed	review	VERB
admet-794	55	7	in	in	ADP
admet-794	55	8	terms	term	NOUN
admet-794	55	9	of	of	ADP
admet-794	55	10	its	its	PRON
admet-794	55	11	underpinning	underpinning	ADJ
admet-794	55	12	assumptions	assumption	NOUN
admet-794	55	13	to	to	PART
admet-794	55	14	determine	determine	VERB
admet-794	55	15	if	if	SCONJ
admet-794	55	16	any	any	PRON
admet-794	55	17	are	be	AUX
admet-794	55	18	incompatible	incompatible	ADJ
admet-794	55	19	with	with	ADP
admet-794	55	20	bro5	bro5	NOUN
admet-794	55	21	molecules	molecule	NOUN
admet-794	55	22	.	.	PUNCT
admet-794	56	1	also	also	ADV
admet-794	56	2	,	,	PUNCT
admet-794	56	3	the	the	DET
admet-794	56	4	thermodynamics	thermodynamic	NOUN
admet-794	56	5	of	of	ADP
admet-794	56	6	solubility	solubility	NOUN
admet-794	56	7	are	be	AUX
admet-794	56	8	well	well	ADV
admet-794	56	9	cast	cast	VERB
admet-794	56	10	by	by	ADP
admet-794	56	11	eq	eq	PROPN
admet-794	56	12	.	.	PUNCT
admet-794	57	1	(	(	PUNCT
admet-794	57	2	1	1	NUM
admet-794	57	3	)	)	PUNCT
admet-794	57	4	,	,	PUNCT
admet-794	57	5	which	which	PRON
admet-794	57	6	can	can	AUX
admet-794	57	7	apply	apply	VERB
admet-794	57	8	to	to	ADP
admet-794	57	9	all	all	DET
admet-794	57	10	models	model	NOUN
admet-794	57	11	tested	test	VERB
admet-794	57	12	here	here	ADV
admet-794	57	13	.	.	PUNCT
admet-794	58	1	it	it	PRON
admet-794	58	2	is	be	AUX
admet-794	58	3	useful	useful	ADJ
admet-794	58	4	to	to	PART
admet-794	58	5	start	start	VERB
admet-794	58	6	by	by	ADP
admet-794	58	7	dissecting	dissect	VERB
admet-794	58	8	aqueous	aqueous	ADJ
admet-794	58	9	solubility	solubility	NOUN
admet-794	58	10	in	in	ADP
admet-794	58	11	terms	term	NOUN
admet-794	58	12	of	of	ADP
admet-794	58	13	the	the	DET
admet-794	58	14	gibbs	gibbs	PROPN
admet-794	58	15	free	free	ADJ
admet-794	58	16	energy	energy	NOUN
admet-794	58	17	based	base	VERB
admet-794	58	18	on	on	ADP
admet-794	58	19	the	the	DET
admet-794	58	20	thermodynamic	thermodynamic	ADJ
admet-794	58	21	fusion	fusion	NOUN
admet-794	58	22	cycle	cycle	NOUN
admet-794	58	23	.	.	PUNCT
admet-794	59	1	the	the	DET
admet-794	59	2	dissolution	dissolution	NOUN
admet-794	59	3	of	of	ADP
admet-794	59	4	a	a	DET
admet-794	59	5	non	non	ADJ
admet-794	59	6	-	-	ADJ
admet-794	59	7	ionized	ionized	ADJ
admet-794	59	8	crystalline	crystalline	NOUN
admet-794	59	9	substance	substance	NOUN
admet-794	59	10	suspended	suspend	VERB
admet-794	59	11	in	in	ADP
admet-794	59	12	water	water	NOUN
admet-794	59	13	can	can	AUX
admet-794	59	14	be	be	AUX
admet-794	59	15	viewed	view	VERB
admet-794	59	16	in	in	ADP
admet-794	59	17	terms	term	NOUN
admet-794	59	18	of	of	ADP
admet-794	59	19	two	two	NUM
admet-794	59	20	major	major	ADJ
admet-794	59	21	contributions	contribution	NOUN
admet-794	59	22	:	:	PUNCT
admet-794	59	23	(	(	PUNCT
admet-794	59	24	a	a	X
admet-794	59	25	)	)	PUNCT
admet-794	59	26	crystal	crystal	NOUN
admet-794	59	27	lattice	lattice	NOUN
admet-794	59	28	–	–	PUNCT
admet-794	59	29	energy	energy	NOUN
admet-794	59	30	has	have	VERB
admet-794	59	31	to	to	PART
admet-794	59	32	be	be	AUX
admet-794	59	33	provided	provide	VERB
admet-794	59	34	to	to	PART
admet-794	59	35	break	break	VERB
admet-794	59	36	down	down	ADP
admet-794	59	37	the	the	DET
admet-794	59	38	lattice	lattice	NOUN
admet-794	59	39	to	to	PART
admet-794	59	40	form	form	VERB
admet-794	59	41	a	a	DET
admet-794	59	42	hypothetical	hypothetical	ADJ
admet-794	59	43	‘	'	PUNCT
admet-794	59	44	supercooled	supercooled	ADJ
admet-794	59	45	’	'	PUNCT
admet-794	59	46	liquid	liquid	NOUN
admet-794	59	47	(	(	PUNCT
admet-794	59	48	sliq	sliq	NOUN
admet-794	59	49	)	)	PUNCT
admet-794	59	50	,	,	PUNCT
admet-794	59	51	and	and	CCONJ
admet-794	59	52	(	(	PUNCT
admet-794	59	53	b	b	NOUN
admet-794	59	54	)	)	PUNCT
admet-794	59	55	solvation	solvation	NOUN
admet-794	59	56	–	–	PUNCT
admet-794	59	57	energy	energy	NOUN
admet-794	59	58	is	be	AUX
admet-794	59	59	released	release	VERB
admet-794	59	60	when	when	SCONJ
admet-794	59	61	the	the	DET
admet-794	59	62	liquefied	liquefy	VERB
admet-794	59	63	solute	solute	NOUN
admet-794	59	64	dissolves	dissolve	VERB
admet-794	59	65	in	in	ADP
admet-794	59	66	water	water	NOUN
admet-794	59	67	.	.	PUNCT
admet-794	60	1	the	the	DET
admet-794	60	2	total	total	ADJ
admet-794	60	3	solubility	solubility	NOUN
admet-794	60	4	of	of	ADP
admet-794	60	5	the	the	DET
admet-794	60	6	solute	solute	NOUN
admet-794	60	7	in	in	ADP
admet-794	60	8	water	water	NOUN
admet-794	60	9	is	be	AUX
admet-794	60	10	the	the	DET
admet-794	60	11	product	product	NOUN
admet-794	60	12	of	of	ADP
admet-794	60	13	the	the	DET
admet-794	60	14	above	above	ADJ
admet-794	60	15	two	two	NUM
admet-794	60	16	contributions	contribution	NOUN
admet-794	60	17	(	(	PUNCT
admet-794	60	18	lattice	lattice	NOUN
admet-794	60	19	and	and	CCONJ
admet-794	60	20	solvation	solvation	NOUN
admet-794	60	21	)	)	PUNCT
admet-794	60	22	,	,	PUNCT
admet-794	60	23	which	which	PRON
admet-794	60	24	in	in	ADP
admet-794	60	25	logarithmic	logarithmic	ADJ
admet-794	60	26	terms	term	NOUN
admet-794	60	27	can	can	AUX
admet-794	60	28	be	be	AUX
admet-794	60	29	stated	state	VERB
admet-794	60	30	as	as	ADP
admet-794	60	31	the	the	DET
admet-794	60	32	sum	sum	NOUN
admet-794	61	1	[	[	X
admet-794	61	2	36,37	36,37	X
admet-794	61	3	]	]	X
admet-794	61	4	:	:	PUNCT
admet-794	61	5	sliqm	sliqm	PROPN
admet-794	61	6	m	m	VERB
admet-794	61	7	wlog	wlog	NOUN
admet-794	61	8	(	(	PUNCT
admet-794	61	9	)	)	PUNCT
admet-794	61	10	log	log	VERB
admet-794	61	11	2.3	2.3	NUM
admet-794	61	12	s	s	NOUN
admet-794	61	13	s	s	PROPN
admet-794	61	14	t	t	NOUN
admet-794	61	15	t	t	PROPN
admet-794	61	16	s	s	PROPN
admet-794	61	17	rt	rt	PROPN
admet-794	61	18			NOUN
admet-794	61	19			PROPN
admet-794	61	20			PROPN
admet-794	61	21			X
admet-794	61	22	(	(	PUNCT
admet-794	61	23	2	2	X
admet-794	61	24	)	)	PUNCT
admet-794	61	25	crystal	crystal	NOUN
admet-794	61	26	lattice	lattice	PROPN
admet-794	61	27	effect	effect	NOUN
admet-794	61	28	the	the	DET
admet-794	61	29	lattice	lattice	PROPN
admet-794	61	30	contribution	contribution	NOUN
admet-794	61	31	,	,	PUNCT
admet-794	61	32	first	first	ADJ
admet-794	61	33	term	term	NOUN
admet-794	61	34	on	on	ADP
admet-794	61	35	the	the	DET
admet-794	61	36	right	right	ADJ
admet-794	61	37	side	side	NOUN
admet-794	61	38	of	of	ADP
admet-794	61	39	eq	eq	PROPN
admet-794	61	40	.	.	PUNCT
admet-794	62	1	(	(	PUNCT
admet-794	62	2	2	2	NUM
admet-794	62	3	)	)	PUNCT
admet-794	62	4	,	,	PUNCT
admet-794	62	5	arises	arise	VERB
admet-794	62	6	from	from	ADP
admet-794	62	7	the	the	DET
admet-794	62	8	application	application	NOUN
admet-794	62	9	of	of	ADP
admet-794	62	10	the	the	DET
admet-794	62	11	van’t	van’t	NUM
admet-794	62	12	hoff	hoff	NOUN
admet-794	62	13	equation	equation	NOUN
admet-794	62	14	,	,	PUNCT
admet-794	62	15	where	where	SCONJ
admet-794	62	16	∆sm	∆sm	NOUN
admet-794	62	17	(	(	PUNCT
admet-794	62	18	kj	kj	NOUN
admet-794	62	19	/	/	SYM
admet-794	62	20	mol·k	mol·k	NOUN
admet-794	62	21	)	)	PUNCT
admet-794	62	22	is	be	AUX
admet-794	62	23	the	the	DET
admet-794	62	24	entropy	entropy	NOUN
admet-794	62	25	of	of	ADP
admet-794	62	26	melting	melting	NOUN
admet-794	62	27	(	(	PUNCT
admet-794	62	28	fusion	fusion	NOUN
admet-794	62	29	)	)	PUNCT
admet-794	62	30	and	and	CCONJ
admet-794	62	31	tm	tm	PROPN
admet-794	62	32	is	be	AUX
admet-794	62	33	the	the	DET
admet-794	62	34	melting	melting	NOUN
admet-794	62	35	point	point	NOUN
admet-794	62	36	(	(	PUNCT
admet-794	62	37	in	in	ADP
admet-794	62	38	k	k	PROPN
admet-794	62	39	units	unit	NOUN
admet-794	62	40	)	)	PUNCT
admet-794	62	41	.	.	PUNCT
admet-794	63	1	by	by	ADP
admet-794	63	2	the	the	DET
admet-794	63	3	‘	'	PUNCT
admet-794	63	4	walden	walden	ADJ
admet-794	63	5	’s	’s	PART
admet-794	63	6	rule	rule	NOUN
admet-794	63	7	’	'	PUNCT
admet-794	63	8	approximation	approximation	NOUN
admet-794	63	9	[	[	X
admet-794	63	10	36,37	36,37	X
admet-794	63	11	]	]	PUNCT
admet-794	63	12	,	,	PUNCT
admet-794	63	13	∆sm	∆sm	NOUN
admet-794	63	14	=	=	SYM
admet-794	63	15	0.0565	0.0565	NUM
admet-794	63	16	kj	kj	NOUN
admet-794	63	17	/	/	SYM
admet-794	63	18	mol·k	mol·k	NOUN
admet-794	63	19	for	for	ADP
admet-794	63	20	many	many	ADJ
admet-794	63	21	organic	organic	ADJ
admet-794	63	22	compounds	compound	NOUN
admet-794	63	23	(	(	PUNCT
admet-794	63	24	particularly	particularly	ADV
admet-794	63	25	for	for	ADP
admet-794	63	26	rigid	rigid	ADJ
admet-794	63	27	planar	planar	ADJ
admet-794	63	28	molecules	molecule	NOUN
admet-794	63	29	,	,	PUNCT
admet-794	63	30	but	but	CCONJ
admet-794	63	31	less	less	ADV
admet-794	63	32	so	so	ADV
admet-794	63	33	for	for	ADP
admet-794	63	34	spherical	spherical	ADJ
admet-794	63	35	molecules	molecule	NOUN
admet-794	63	36	)	)	PUNCT
admet-794	63	37	.	.	PUNCT
admet-794	64	1	at	at	ADP
admet-794	64	2	25	25	NUM
admet-794	64	3	°	°	NOUN
admet-794	64	4	c	c	NOUN
admet-794	64	5	,	,	PUNCT
admet-794	64	6	2.3	2.3	NUM
admet-794	64	7	rt	rt	NOUN
admet-794	64	8	=	=	NOUN
admet-794	64	9	5.706	5.706	NUM
admet-794	64	10	kj	kj	PROPN
admet-794	64	11	/	/	SYM
admet-794	64	12	mol·k	mol·k	NOUN
admet-794	64	13	.	.	PUNCT
admet-794	65	1	on	on	ADP
admet-794	65	2	substituting	substitute	VERB
admet-794	65	3	these	these	DET
admet-794	65	4	constants	constant	NOUN
admet-794	65	5	,	,	PUNCT
admet-794	65	6	eq	eq	NOUN
admet-794	65	7	.	.	PUNCT
admet-794	66	1	(	(	PUNCT
admet-794	66	2	2	2	X
admet-794	66	3	)	)	PUNCT
admet-794	66	4	at	at	ADP
admet-794	66	5	25	25	NUM
admet-794	66	6	°	°	NOUN
admet-794	66	7	c	c	NOUN
admet-794	66	8	reduces	reduce	VERB
admet-794	66	9	to	to	PART
admet-794	66	10	:	:	PUNCT
admet-794	66	11	sliq	sliq	PROPN
admet-794	66	12	wlog	wlog	PROPN
admet-794	66	13	0.01	0.01	NUM
admet-794	66	14	(	(	PUNCT
admet-794	66	15	25	25	NUM
admet-794	66	16	)	)	PUNCT
admet-794	66	17	logs	log	VERB
admet-794	66	18	mp	mp	PROPN
admet-794	66	19	s	s	AUX
admet-794	66	20			PROPN
admet-794	66	21			X
admet-794	66	22	(	(	PUNCT
admet-794	66	23	3	3	NUM
admet-794	66	24	)	)	PUNCT
admet-794	66	25	solvation	solvation	NOUN
admet-794	66	26	effect	effect	NOUN
admet-794	66	27	the	the	DET
admet-794	66	28	solvation	solvation	NOUN
admet-794	66	29	contribution	contribution	NOUN
admet-794	66	30	,	,	PUNCT
admet-794	66	31	right	right	ADV
admet-794	66	32	-	-	PUNCT
admet-794	66	33	most	most	ADJ
admet-794	66	34	term	term	NOUN
admet-794	66	35	in	in	ADP
admet-794	66	36	eq	eq	ADP
admet-794	66	37	.	.	PUNCT
admet-794	67	1	(	(	PUNCT
admet-794	67	2	3	3	NUM
admet-794	67	3	)	)	PUNCT
admet-794	67	4	,	,	PUNCT
admet-794	67	5	was	be	AUX
admet-794	67	6	investigated	investigate	VERB
admet-794	67	7	by	by	ADP
admet-794	67	8	hansch	hansch	NOUN
admet-794	67	9	and	and	CCONJ
admet-794	67	10	coworkers	coworker	NOUN
admet-794	68	1	[	[	X
admet-794	68	2	33	33	NUM
admet-794	68	3	]	]	PUNCT
admet-794	68	4	.	.	PUNCT
admet-794	69	1	for	for	ADP
admet-794	69	2	156	156	NUM
admet-794	69	3	simple	simple	ADJ
admet-794	69	4	organic	organic	ADJ
admet-794	69	5	liquid	liquid	ADJ
admet-794	69	6	solutes	solute	NOUN
admet-794	69	7	,	,	PUNCT
admet-794	69	8	they	they	PRON
admet-794	69	9	demonstrated	demonstrate	VERB
admet-794	69	10	that	that	SCONJ
admet-794	69	11	solubility	solubility	NOUN
admet-794	69	12	correlated	correlate	VERB
admet-794	69	13	with	with	ADP
admet-794	69	14	octanol	octanol	NOUN
admet-794	69	15	-	-	PUNCT
admet-794	69	16	water	water	NOUN
admet-794	69	17	partition	partition	NOUN
admet-794	69	18	data	datum	NOUN
admet-794	69	19	as	as	SCONJ
admet-794	69	20	described	describe	VERB
admet-794	69	21	by	by	ADP
admet-794	69	22	a	a	DET
admet-794	69	23	collander	collander	NOUN
admet-794	69	24	-	-	PUNCT
admet-794	69	25	like	like	ADJ
admet-794	69	26	linear	linear	PROPN
admet-794	69	27	equation	equation	NOUN
admet-794	69	28	:	:	PUNCT
admet-794	69	29	log	log	NOUN
admet-794	69	30	s	s	PART
admet-794	69	31	=	=	NOUN
admet-794	69	32	c0	c0	PROPN
admet-794	69	33	+	+	CCONJ
admet-794	69	34	c1log	c1log	PROPN
admet-794	69	35	p.	p.	NOUN
admet-794	69	36	octanol	octanol	NOUN
admet-794	69	37	,	,	PUNCT
admet-794	69	38	possessing	possess	VERB
admet-794	69	39	nearly	nearly	ADV
admet-794	69	40	identical	identical	ADJ
admet-794	69	41	calculated	calculate	VERB
admet-794	69	42	h	h	NOUN
admet-794	69	43	-	-	PUNCT
admet-794	69	44	bond	bond	NOUN
admet-794	69	45	donor	donor	NOUN
admet-794	69	46	and	and	CCONJ
admet-794	69	47	acceptor	acceptor	NOUN
admet-794	69	48	strength	strength	NOUN
admet-794	69	49	,	,	PUNCT
admet-794	69	50	was	be	AUX
admet-794	69	51	selected	select	VERB
admet-794	69	52	as	as	ADP
admet-794	69	53	a	a	DET
admet-794	69	54	model	model	NOUN
admet-794	69	55	organic	organic	ADJ
admet-794	69	56	solvent	solvent	NOUN
admet-794	69	57	.	.	PUNCT
admet-794	70	1	for	for	ADP
admet-794	70	2	a	a	DET
admet-794	70	3	series	series	NOUN
admet-794	70	4	of	of	ADP
admet-794	70	5	aromatics	aromatic	NOUN
admet-794	70	6	,	,	PUNCT
admet-794	70	7	alkyl	alkyl	NOUN
admet-794	70	8	halides	halide	NOUN
admet-794	70	9	,	,	PUNCT
admet-794	70	10	and	and	CCONJ
admet-794	70	11	alkanes	alkane	NOUN
admet-794	70	12	liquid	liquid	ADJ
admet-794	70	13	solutes	solute	NOUN
admet-794	70	14	,	,	PUNCT
admet-794	70	15	c0	c0	NOUN
admet-794	70	16	intercepts	intercept	NOUN
admet-794	70	17	were	be	AUX
admet-794	70	18	calculated	calculate	VERB
admet-794	70	19	to	to	PART
admet-794	70	20	be	be	AUX
admet-794	70	21	+0.34	+0.34	PROPN
admet-794	70	22	,	,	PUNCT
admet-794	70	23	+0.83	+0.83	PROPN
admet-794	70	24	,	,	PUNCT
admet-794	70	25	and	and	CCONJ
admet-794	70	26	-0.25	-0.25	NUM
admet-794	70	27	,	,	PUNCT
admet-794	70	28	respectively	respectively	ADV
admet-794	70	29	.	.	PUNCT
admet-794	71	1	the	the	DET
admet-794	71	2	derived	derive	VERB
admet-794	71	3	c1	c1	NOUN
admet-794	71	4	slope	slope	NOUN
admet-794	71	5	factors	factor	NOUN
admet-794	71	6	were	be	AUX
admet-794	71	7	-1.0	-1.0	PROPN
admet-794	71	8	for	for	ADP
admet-794	71	9	aromatics	aromatic	NOUN
admet-794	71	10	,	,	PUNCT
admet-794	71	11	-1.22	-1.22	NOUN
admet-794	71	12	for	for	ADP
admet-794	71	13	alkyl	alkyl	ADJ
admet-794	71	14	halides	halide	NOUN
admet-794	71	15	,	,	PUNCT
admet-794	71	16	and	and	CCONJ
admet-794	71	17	-1.24	-1.24	NOUN
admet-794	71	18	for	for	ADP
admet-794	71	19	alkanes	alkane	NOUN
admet-794	71	20	.	.	PUNCT
admet-794	72	1	for	for	ADP
admet-794	72	2	a	a	DET
admet-794	72	3	liquid	liquid	NOUN
admet-794	72	4	solute	solute	NOUN
admet-794	72	5	,	,	PUNCT
admet-794	72	6	log	log	PROPN
admet-794	72	7	p	p	NOUN
admet-794	72	8	relates	relate	VERB
admet-794	72	9	to	to	ADP
admet-794	72	10	the	the	DET
admet-794	72	11	gibbs	gibbs	PROPN
admet-794	72	12	free	free	ADJ
admet-794	72	13	energy	energy	NOUN
admet-794	72	14	for	for	ADP
admet-794	72	15	the	the	DET
admet-794	72	16	sum	sum	NOUN
admet-794	72	17	of	of	ADP
admet-794	72	18	solute	solute	NOUN
admet-794	72	19	-	-	PUNCT
admet-794	72	20	solute	solute	NOUN
admet-794	72	21	and	and	CCONJ
admet-794	72	22	water	water	NOUN
admet-794	72	23	-	-	PUNCT
admet-794	72	24	water	water	NOUN
admet-794	72	25	cohesive	cohesive	ADJ
admet-794	72	26	interactions	interaction	NOUN
admet-794	72	27	minus	minus	CCONJ
admet-794	72	28	twice	twice	DET
admet-794	72	29	the	the	DET
admet-794	72	30	solute	solute	NOUN
admet-794	72	31	-	-	PUNCT
admet-794	72	32	water	water	NOUN
admet-794	72	33	adhesive	adhesive	ADJ
admet-794	72	34	interactions	interaction	NOUN
admet-794	72	35	[	[	X
admet-794	72	36	8	8	NUM
admet-794	72	37	]	]	PUNCT
admet-794	72	38	.	.	PUNCT
admet-794	73	1	for	for	ADP
admet-794	73	2	a	a	DET
admet-794	73	3	liquid	liquid	NOUN
admet-794	73	4	solute	solute	NOUN
admet-794	73	5	with	with	ADP
admet-794	73	6	the	the	DET
admet-794	73	7	aqueous	aqueous	ADJ
admet-794	73	8	solubility	solubility	NOUN
admet-794	73	9	of	of	ADP
admet-794	73	10	sw	sw	PROPN
admet-794	73	11	liq	liq	NOUN
admet-794	73	12	and	and	CCONJ
admet-794	73	13	the	the	DET
admet-794	73	14	solubility	solubility	NOUN
admet-794	73	15	in	in	ADP
admet-794	73	16	octanol	octanol	NOUN
admet-794	73	17	as	as	ADP
admet-794	73	18	soct	soct	PROPN
admet-794	73	19	liq	liq	NOUN
admet-794	73	20	,	,	PUNCT
admet-794	73	21	it	it	PRON
admet-794	73	22	can	can	AUX
admet-794	73	23	be	be	AUX
admet-794	73	24	approximated	approximate	VERB
admet-794	73	25	that	that	SCONJ
admet-794	73	26	p	p	X
admet-794	73	27	=	=	PUNCT
admet-794	73	28	soct	soct	PROPN
admet-794	73	29	liq	liq	NOUN
admet-794	73	30	/sw	/sw	SYM
admet-794	73	31	liq	liq	NOUN
admet-794	73	32	(	(	PUNCT
admet-794	73	33	assuming	assume	VERB
admet-794	73	34	activity	activity	NOUN
admet-794	73	35	equals	equal	VERB
admet-794	73	36	concentration	concentration	NOUN
admet-794	73	37	and	and	CCONJ
admet-794	73	38	that	that	PRON
admet-794	73	39	solute	solute	ADJ
admet-794	73	40	aggregates	aggregate	NOUN
admet-794	73	41	/	/	SYM
admet-794	73	42	micelles	micelle	NOUN
admet-794	73	43	do	do	AUX
admet-794	73	44	n’t	not	PART
admet-794	73	45	form	form	VERB
admet-794	73	46	[	[	X
admet-794	73	47	39	39	NUM
admet-794	73	48	]	]	PUNCT
admet-794	73	49	)	)	PUNCT
admet-794	73	50	.	.	PUNCT
admet-794	74	1	it	it	PRON
admet-794	74	2	follows	follow	VERB
admet-794	74	3	that	that	SCONJ
admet-794	74	4	admet	admet	PROPN
admet-794	74	5	&	&	CCONJ
admet-794	74	6	dmpk	dmpk	PROPN
admet-794	74	7	8(3	8(3	NUM
admet-794	74	8	)	)	PUNCT
admet-794	74	9	(	(	PUNCT
admet-794	74	10	2020	2020	NUM
admet-794	74	11	)	)	PUNCT
admet-794	74	12	180	180	NUM
admet-794	74	13	-	-	SYM
admet-794	74	14	206	206	NUM
admet-794	74	15	can	can	AUX
admet-794	74	16	small	small	ADJ
admet-794	74	17	drugs	drug	NOUN
admet-794	74	18	predict	predict	VERB
admet-794	74	19	log	log	NOUN
admet-794	74	20	s0	s0	PROPN
admet-794	74	21	of	of	ADP
admet-794	74	22	‘	'	PUNCT
admet-794	74	23	beyond	beyond	ADP
admet-794	74	24	rule	rule	NOUN
admet-794	74	25	of	of	ADP
admet-794	74	26	5	5	NUM
admet-794	74	27	’	'	PUNCT
admet-794	74	28	big	big	ADJ
admet-794	74	29	drugs	drug	NOUN
admet-794	74	30	?	?	PUNCT
admet-794	75	1	doi	doi	NOUN
admet-794	75	2	:	:	PUNCT
admet-794	75	3	http://dx.doi.org/10.5599/admet.794	http://dx.doi.org/10.5599/admet.794	NOUN
admet-794	75	4	183	183	NUM
admet-794	75	5	if	if	SCONJ
admet-794	75	6	the	the	DET
admet-794	75	7	slope	slope	NOUN
admet-794	75	8	c1	c1	NOUN
admet-794	75	9	=	=	PUNCT
admet-794	76	1	-1	-1	PROPN
admet-794	76	2	,	,	PUNCT
admet-794	76	3	then	then	ADV
admet-794	76	4	the	the	DET
admet-794	76	5	intercept	intercept	NOUN
admet-794	76	6	c0	c0	PROPN
admet-794	76	7	=	=	PROPN
admet-794	76	8	log	log	VERB
admet-794	76	9	soct	soct	PROPN
admet-794	76	10	liq	liq	NOUN
admet-794	76	11	.	.	PUNCT
admet-794	77	1	yalkowsky	yalkowsky	ADJ
admet-794	77	2	and	and	CCONJ
admet-794	77	3	coworkers	coworker	NOUN
admet-794	77	4	surmised	surmise	VERB
admet-794	77	5	that	that	SCONJ
admet-794	77	6	c0	c0	NOUN
admet-794	77	7	=	=	PUNCT
admet-794	77	8	0.5	0.5	NUM
admet-794	77	9	,	,	PUNCT
admet-794	77	10	by	by	ADP
admet-794	77	11	the	the	DET
admet-794	77	12	following	follow	VERB
admet-794	77	13	reasoning	reasoning	NOUN
admet-794	77	14	.	.	PUNCT
admet-794	78	1	entropy	entropy	PROPN
admet-794	78	2	of	of	ADP
admet-794	78	3	mixing	mixing	NOUN
admet-794	78	4	favors	favor	VERB
admet-794	78	5	complete	complete	ADJ
admet-794	78	6	miscibility	miscibility	NOUN
admet-794	78	7	of	of	ADP
admet-794	78	8	the	the	DET
admet-794	78	9	two	two	NUM
admet-794	78	10	liquids	liquid	NOUN
admet-794	78	11	;	;	PUNCT
admet-794	78	12	i.e.	i.e.	X
admet-794	78	13	,	,	PUNCT
admet-794	78	14	the	the	DET
admet-794	78	15	mole	mole	NOUN
admet-794	78	16	fraction	fraction	NOUN
admet-794	78	17	=	=	NOUN
admet-794	78	18	0.5	0.5	NUM
admet-794	79	1	[	[	NOUN
admet-794	79	2	8	8	NUM
admet-794	79	3	]	]	PUNCT
admet-794	79	4	.	.	PUNCT
admet-794	80	1	(	(	PUNCT
admet-794	80	2	this	this	PRON
admet-794	80	3	is	be	AUX
admet-794	80	4	likely	likely	ADJ
admet-794	80	5	to	to	PART
admet-794	80	6	be	be	AUX
admet-794	80	7	valid	valid	ADJ
admet-794	80	8	for	for	ADP
admet-794	80	9	apolar	apolar	ADJ
admet-794	80	10	[	[	X
admet-794	80	11	37	37	NUM
admet-794	80	12	]	]	PUNCT
admet-794	80	13	,	,	PUNCT
admet-794	80	14	but	but	CCONJ
admet-794	80	15	may	may	AUX
admet-794	80	16	not	not	PART
admet-794	80	17	be	be	AUX
admet-794	80	18	accurate	accurate	ADJ
admet-794	80	19	for	for	ADP
admet-794	80	20	large	large	ADJ
admet-794	80	21	polar	polar	ADJ
admet-794	80	22	molecules	molecule	NOUN
admet-794	80	23	like	like	ADP
admet-794	80	24	those	those	PRON
admet-794	80	25	found	find	VERB
admet-794	80	26	in	in	ADP
admet-794	80	27	the	the	DET
admet-794	80	28	bro5	bro5	NOUN
admet-794	80	29	chemical	chemical	NOUN
admet-794	80	30	space	space	NOUN
admet-794	80	31	.	.	PUNCT
admet-794	80	32	)	)	PUNCT
admet-794	81	1	since	since	SCONJ
admet-794	81	2	the	the	DET
admet-794	81	3	molar	molar	ADJ
admet-794	81	4	concentration	concentration	NOUN
admet-794	81	5	of	of	ADP
admet-794	81	6	pure	pure	ADJ
admet-794	81	7	octanol	octanol	NOUN
admet-794	81	8	is	be	AUX
admet-794	81	9	6.32	6.32	NUM
admet-794	81	10	m	m	NOUN
admet-794	81	11	,	,	PUNCT
admet-794	81	12	the	the	DET
admet-794	81	13	log	log	NOUN
admet-794	81	14	soct	soct	NOUN
admet-794	81	15	sliq	sliq	NOUN
admet-794	81	16	=	=	X
admet-794	81	17	log	log	PROPN
admet-794	81	18	(	(	PUNCT
admet-794	81	19	6.32x0.5	6.32x0.5	NUM
admet-794	81	20	)	)	PUNCT
admet-794	81	21	=	=	SYM
admet-794	81	22	0.5	0.5	NUM
admet-794	81	23	(	(	PUNCT
admet-794	81	24	assuming	assume	VERB
admet-794	81	25	the	the	DET
admet-794	81	26	solute	solute	ADJ
admet-794	81	27	liquid	liquid	ADJ
admet-794	81	28	density	density	NOUN
admet-794	81	29	is	be	AUX
admet-794	81	30	near	near	ADP
admet-794	81	31	that	that	PRON
admet-794	81	32	of	of	ADP
admet-794	81	33	octanol	octanol	NOUN
admet-794	81	34	)	)	PUNCT
admet-794	81	35	.	.	PUNCT
admet-794	82	1	on	on	ADP
admet-794	82	2	rearranging	rearrange	VERB
admet-794	82	3	the	the	DET
admet-794	82	4	log	log	NOUN
admet-794	82	5	form	form	NOUN
admet-794	82	6	of	of	ADP
admet-794	82	7	p	p	NOUN
admet-794	82	8	defined	define	VERB
admet-794	82	9	as	as	ADP
admet-794	82	10	the	the	DET
admet-794	82	11	solubility	solubility	NOUN
admet-794	82	12	ratio	ratio	NOUN
admet-794	82	13	,	,	PUNCT
admet-794	82	14	log	log	PROPN
admet-794	82	15	sw	sw	PROPN
admet-794	82	16	sliq	sliq	PROPN
admet-794	82	17	=	=	SYM
admet-794	82	18	0.50	0.50	NUM
admet-794	82	19	–	–	PUNCT
admet-794	82	20	log	log	NOUN
admet-794	82	21	p.	p.	NOUN
admet-794	82	22	on	on	ADP
admet-794	82	23	substitution	substitution	NOUN
admet-794	82	24	of	of	ADP
admet-794	82	25	the	the	DET
admet-794	82	26	latter	latter	ADJ
admet-794	82	27	term	term	NOUN
admet-794	82	28	into	into	ADP
admet-794	82	29	eq	eq	NOUN
admet-794	82	30	.	.	PUNCT
admet-794	83	1	(	(	PUNCT
admet-794	83	2	3	3	NUM
admet-794	83	3	)	)	PUNCT
admet-794	83	4	,	,	PUNCT
admet-794	83	5	the	the	DET
admet-794	83	6	gse	gse	PROPN
admet-794	83	7	,	,	PUNCT
admet-794	83	8	eq	eq	NOUN
admet-794	83	9	.	.	PUNCT
admet-794	84	1	(	(	PUNCT
admet-794	84	2	1	1	NUM
admet-794	84	3	)	)	PUNCT
admet-794	84	4	,	,	PUNCT
admet-794	84	5	is	be	AUX
admet-794	84	6	so	so	ADV
admet-794	84	7	derived	derived	ADJ
admet-794	84	8	.	.	PUNCT
admet-794	85	1	the	the	DET
admet-794	85	2	above	above	ADJ
admet-794	85	3	considerations	consideration	NOUN
admet-794	85	4	suggest	suggest	VERB
admet-794	85	5	that	that	SCONJ
admet-794	85	6	eq	eq	ADP
admet-794	85	7	.	.	PUNCT
admet-794	86	1	(	(	PUNCT
admet-794	86	2	1	1	X
admet-794	86	3	)	)	PUNCT
admet-794	86	4	may	may	AUX
admet-794	86	5	have	have	AUX
admet-794	86	6	possible	possible	ADJ
admet-794	86	7	limitations	limitation	NOUN
admet-794	86	8	in	in	ADP
admet-794	86	9	bro5	bro5	NOUN
admet-794	86	10	chemical	chemical	NOUN
admet-794	86	11	space	space	NOUN
admet-794	86	12	:	:	PUNCT
admet-794	86	13	(	(	PUNCT
admet-794	86	14	i	i	NOUN
admet-794	86	15	)	)	PUNCT
admet-794	86	16	lattice	lattice	VERB
admet-794	86	17	energy	energy	NOUN
admet-794	86	18	of	of	ADP
admet-794	86	19	rigid	rigid	ADJ
admet-794	86	20	-	-	PUNCT
admet-794	86	21	planar	planar	ADJ
admet-794	86	22	molecules	molecule	NOUN
admet-794	86	23	may	may	AUX
admet-794	86	24	be	be	AUX
admet-794	86	25	different	different	ADJ
admet-794	86	26	from	from	ADP
admet-794	86	27	those	those	PRON
admet-794	86	28	of	of	ADP
admet-794	86	29	spherical	spherical	ADJ
admet-794	86	30	molecules	molecule	NOUN
admet-794	86	31	;	;	PUNCT
admet-794	86	32	(	(	PUNCT
admet-794	86	33	ii	ii	NOUN
admet-794	86	34	)	)	PUNCT
admet-794	86	35	octanol	octanol	NOUN
admet-794	86	36	as	as	ADP
admet-794	86	37	the	the	DET
admet-794	86	38	model	model	NOUN
admet-794	86	39	for	for	ADP
admet-794	86	40	the	the	DET
admet-794	86	41	supercooled	supercoole	VERB
admet-794	86	42	liquid	liquid	NOUN
admet-794	86	43	solute	solute	NOUN
admet-794	86	44	may	may	AUX
admet-794	86	45	not	not	PART
admet-794	86	46	be	be	AUX
admet-794	86	47	accurate	accurate	ADJ
admet-794	86	48	for	for	ADP
admet-794	86	49	large	large	ADJ
admet-794	86	50	polar	polar	ADJ
admet-794	86	51	or	or	CCONJ
admet-794	86	52	conformation	conformation	NOUN
admet-794	86	53	-	-	PUNCT
admet-794	86	54	flexible	flexible	ADJ
admet-794	86	55	molecules	molecule	NOUN
admet-794	86	56	;	;	PUNCT
admet-794	86	57	(	(	PUNCT
admet-794	86	58	iii	iii	X
admet-794	86	59	)	)	PUNCT
admet-794	86	60	non	non	ADJ
admet-794	86	61	-	-	ADJ
admet-794	86	62	ideal	ideal	ADJ
admet-794	86	63	activity	activity	NOUN
admet-794	86	64	may	may	AUX
admet-794	86	65	arise	arise	VERB
admet-794	86	66	due	due	ADP
admet-794	86	67	to	to	PART
admet-794	86	68	solute	solute	VERB
admet-794	86	69	self	self	NOUN
admet-794	86	70	-	-	PUNCT
admet-794	86	71	aggregation	aggregation	NOUN
admet-794	86	72	(	(	PUNCT
admet-794	86	73	e.g.	e.g.	ADV
admet-794	86	74	,	,	PUNCT
admet-794	86	75	dimer	dimer	ADJ
admet-794	86	76	formation	formation	NOUN
admet-794	86	77	of	of	ADP
admet-794	86	78	vancomycin	vancomycin	PROPN
admet-794	86	79	)	)	PUNCT
admet-794	86	80	,	,	PUNCT
admet-794	86	81	possible	possible	ADJ
admet-794	86	82	micellization	micellization	NOUN
admet-794	86	83	(	(	PUNCT
admet-794	86	84	e.g.	e.g.	ADV
admet-794	86	85	,	,	PUNCT
admet-794	86	86	ubiquinone	ubiquinone	PROPN
admet-794	86	87	,	,	PUNCT
admet-794	86	88	iodoxamic	iodoxamic	ADJ
admet-794	86	89	acid	acid	NOUN
admet-794	86	90	)	)	PUNCT
admet-794	86	91	,	,	PUNCT
admet-794	86	92	and	and	CCONJ
admet-794	86	93	‘	'	PUNCT
admet-794	86	94	molecular	molecular	ADJ
admet-794	86	95	chameleon	chameleon	NOUN
admet-794	86	96	’	'	PUNCT
admet-794	86	97	imhb	imhb	ADJ
admet-794	86	98	effects	effect	NOUN
admet-794	86	99	[	[	X
admet-794	86	100	29,31	29,31	NUM
admet-794	86	101	]	]	PUNCT
admet-794	86	102	.	.	PUNCT
admet-794	87	1	using	use	VERB
admet-794	87	2	calculated	calculate	VERB
admet-794	87	3	log	log	NOUN
admet-794	87	4	p	p	PROPN
admet-794	87	5	(	(	PUNCT
admet-794	87	6	clogp	clogp	NOUN
admet-794	87	7	)	)	PUNCT
admet-794	87	8	the	the	DET
admet-794	87	9	original	original	ADJ
admet-794	87	10	two	two	NUM
admet-794	87	11	variables	variable	NOUN
admet-794	87	12	(	(	PUNCT
admet-794	87	13	mp	mp	PROPN
admet-794	87	14	,	,	PUNCT
admet-794	87	15	log	log	VERB
admet-794	87	16	p	p	X
admet-794	87	17	)	)	PUNCT
admet-794	87	18	were	be	AUX
admet-794	87	19	taken	take	VERB
admet-794	87	20	to	to	PART
admet-794	87	21	be	be	AUX
admet-794	87	22	experimental	experimental	ADJ
admet-794	87	23	values	value	NOUN
admet-794	87	24	.	.	PUNCT
admet-794	88	1	in	in	ADP
admet-794	88	2	a	a	DET
admet-794	88	3	pharmaceutical	pharmaceutical	ADJ
admet-794	88	4	research	research	NOUN
admet-794	88	5	setting	setting	NOUN
admet-794	88	6	,	,	PUNCT
admet-794	88	7	such	such	ADJ
admet-794	88	8	experimental	experimental	ADJ
admet-794	88	9	values	value	NOUN
admet-794	88	10	may	may	AUX
admet-794	88	11	not	not	PART
admet-794	88	12	be	be	AUX
admet-794	88	13	available	available	ADJ
admet-794	88	14	in	in	ADP
admet-794	88	15	early	early	ADJ
admet-794	88	16	studies	study	NOUN
admet-794	88	17	.	.	PUNCT
admet-794	89	1	it	it	PRON
admet-794	89	2	has	have	AUX
admet-794	89	3	become	become	VERB
admet-794	89	4	a	a	DET
admet-794	89	5	common	common	ADJ
admet-794	89	6	practice	practice	NOUN
admet-794	89	7	to	to	PART
admet-794	89	8	use	use	VERB
admet-794	89	9	calculated	calculated	ADJ
admet-794	89	10	values	value	NOUN
admet-794	89	11	,	,	PUNCT
admet-794	89	12	clogp	clogp	ADJ
admet-794	89	13	,	,	PUNCT
admet-794	89	14	in	in	ADP
admet-794	89	15	place	place	NOUN
admet-794	89	16	of	of	ADP
admet-794	89	17	measured	measured	ADJ
admet-794	89	18	log	log	NOUN
admet-794	89	19	p	p	NOUN
admet-794	89	20	in	in	ADP
admet-794	89	21	eq	eq	ADP
admet-794	89	22	.	.	PUNCT
admet-794	90	1	(	(	PUNCT
admet-794	90	2	1	1	NUM
admet-794	90	3	)	)	PUNCT
admet-794	90	4	.	.	PUNCT
admet-794	91	1	apparently	apparently	ADV
admet-794	91	2	,	,	PUNCT
admet-794	91	3	the	the	DET
admet-794	91	4	accuracy	accuracy	NOUN
admet-794	91	5	of	of	ADP
admet-794	91	6	gse	gse	PROPN
admet-794	91	7	lessens	lessen	NOUN
admet-794	91	8	,	,	PUNCT
admet-794	91	9	but	but	CCONJ
admet-794	91	10	only	only	ADV
admet-794	91	11	slightly	slightly	ADV
admet-794	91	12	.	.	PUNCT
admet-794	92	1	the	the	DET
admet-794	92	2	use	use	NOUN
admet-794	92	3	of	of	ADP
admet-794	92	4	calculated	calculate	VERB
admet-794	92	5	mp	mp	PROPN
admet-794	92	6	is	be	AUX
admet-794	92	7	less	less	ADV
admet-794	92	8	frequent	frequent	ADJ
admet-794	92	9	,	,	PUNCT
admet-794	92	10	since	since	SCONJ
admet-794	92	11	the	the	DET
admet-794	92	12	accuracy	accuracy	NOUN
admet-794	92	13	of	of	ADP
admet-794	92	14	such	such	ADJ
admet-794	92	15	predicted	predict	VERB
admet-794	92	16	values	value	NOUN
admet-794	92	17	is	be	AUX
admet-794	92	18	thought	think	VERB
admet-794	92	19	to	to	PART
admet-794	92	20	be	be	AUX
admet-794	92	21	relatively	relatively	ADV
admet-794	92	22	low	low	ADJ
admet-794	92	23	.	.	PUNCT
admet-794	93	1	in	in	ADP
admet-794	93	2	the	the	DET
admet-794	93	3	present	present	ADJ
admet-794	93	4	investigation	investigation	NOUN
admet-794	93	5	,	,	PUNCT
admet-794	93	6	experimental	experimental	ADJ
admet-794	93	7	values	value	NOUN
admet-794	93	8	were	be	AUX
admet-794	93	9	applied	apply	VERB
admet-794	93	10	when	when	SCONJ
admet-794	93	11	available	available	ADJ
admet-794	93	12	,	,	PUNCT
admet-794	93	13	and	and	CCONJ
admet-794	93	14	were	be	AUX
admet-794	93	15	calculated	calculate	VERB
admet-794	93	16	in	in	ADP
admet-794	93	17	a	a	DET
admet-794	93	18	small	small	ADJ
admet-794	93	19	number	number	NOUN
admet-794	93	20	of	of	ADP
admet-794	93	21	instances	instance	NOUN
admet-794	93	22	[	[	X
admet-794	93	23	40	40	NUM
admet-794	93	24	]	]	PUNCT
admet-794	93	25	.	.	PUNCT
admet-794	94	1	abraham	abraham	PROPN
admet-794	94	2	solvation	solvation	NOUN
admet-794	94	3	equation	equation	NOUN
admet-794	94	4	(	(	PUNCT
admet-794	94	5	absolv	absolv	PROPN
admet-794	94	6	)	)	PUNCT
admet-794	94	7	abraham	abraham	PROPN
admet-794	94	8	and	and	CCONJ
admet-794	94	9	le	le	X
admet-794	95	1	[	[	X
admet-794	95	2	11	11	NUM
admet-794	95	3	]	]	PUNCT
admet-794	95	4	amended	amend	VERB
admet-794	95	5	the	the	DET
admet-794	95	6	abraham	abraham	PROPN
admet-794	95	7	solvation	solvation	NOUN
admet-794	95	8	equation	equation	NOUN
admet-794	95	9	[	[	X
admet-794	95	10	41	41	NUM
admet-794	95	11	]	]	PUNCT
admet-794	95	12	to	to	PART
admet-794	95	13	predict	predict	VERB
admet-794	95	14	intrinsic	intrinsic	ADJ
admet-794	95	15	solubility	solubility	NOUN
admet-794	95	16	(	(	PUNCT
admet-794	95	17	log	log	PROPN
admet-794	95	18	molar	molar	NOUN
admet-794	95	19	):	):	PUNCT
admet-794	95	20	log	log	NOUN
admet-794	95	21	s0	s0	PROPN
admet-794	95	22	absolv	absolv	PROPN
admet-794	95	23	=	=	SYM
admet-794	95	24	c0	c0	PROPN
admet-794	95	25	+	+	PROPN
admet-794	95	26	c1	c1	PROPN
admet-794	96	1	a	a	PRON
admet-794	96	2	+	+	X
admet-794	96	3	c2	c2	PROPN
admet-794	96	4	b	b	PROPN
admet-794	97	1	+	+	CCONJ
admet-794	97	2	c3	c3	PROPN
admet-794	97	3	sπ	sπ	NOUN
admet-794	97	4	+	+	CCONJ
admet-794	97	5	c4	c4	NOUN
admet-794	97	6	e	e	PROPN
admet-794	98	1	+	+	CCONJ
admet-794	98	2	c5	c5	PROPN
admet-794	98	3	v	v	PROPN
admet-794	98	4	+	+	CCONJ
admet-794	98	5	c6	c6	PROPN
admet-794	98	6	a∙b	a∙b	X
admet-794	98	7	(	(	PUNCT
admet-794	98	8	4	4	X
admet-794	98	9	)	)	PUNCT
admet-794	98	10	the	the	DET
admet-794	98	11	independent	independent	ADJ
admet-794	98	12	variables	variable	NOUN
admet-794	98	13	are	be	AUX
admet-794	98	14	the	the	DET
admet-794	98	15	five	five	NUM
admet-794	98	16	solute	solute	ADJ
admet-794	98	17	descriptors	descriptor	NOUN
admet-794	98	18	accounting	account	VERB
admet-794	98	19	for	for	ADP
admet-794	98	20	the	the	DET
admet-794	98	21	transfer	transfer	NOUN
admet-794	98	22	of	of	ADP
admet-794	98	23	solute	solute	NOUN
admet-794	98	24	from	from	ADP
admet-794	98	25	one	one	NUM
admet-794	98	26	phase	phase	NOUN
admet-794	98	27	to	to	ADP
admet-794	98	28	another	another	PRON
admet-794	98	29	:	:	PUNCT
admet-794	98	30	a	a	PRON
admet-794	98	31	is	be	AUX
admet-794	98	32	the	the	DET
admet-794	98	33	sum	sum	NOUN
admet-794	98	34	of	of	ADP
admet-794	98	35	h	h	NOUN
admet-794	98	36	-	-	PUNCT
admet-794	98	37	bond	bond	NOUN
admet-794	98	38	acidity	acidity	NOUN
admet-794	98	39	(	(	PUNCT
admet-794	98	40	similar	similar	ADJ
admet-794	98	41	to	to	ADP
admet-794	98	42	nhd	nhd	VERB
admet-794	98	43	)	)	PUNCT
admet-794	98	44	,	,	PUNCT
admet-794	98	45	b	b	PROPN
admet-794	98	46	is	be	AUX
admet-794	98	47	the	the	DET
admet-794	98	48	sum	sum	NOUN
admet-794	98	49	of	of	ADP
admet-794	98	50	h	h	NOUN
admet-794	98	51	-	-	PUNCT
admet-794	98	52	bond	bond	NOUN
admet-794	98	53	basicity	basicity	NOUN
admet-794	98	54	(	(	PUNCT
admet-794	98	55	similar	similar	ADJ
admet-794	98	56	to	to	ADP
admet-794	98	57	nha	nha	NOUN
admet-794	98	58	)	)	PUNCT
admet-794	98	59	,	,	PUNCT
admet-794	98	60	sπ	sπ	NOUN
admet-794	98	61	is	be	AUX
admet-794	98	62	the	the	DET
admet-794	98	63	dipolarity	dipolarity	NOUN
admet-794	98	64	/	/	SYM
admet-794	98	65	polarizability	polarizability	NOUN
admet-794	98	66	(	(	PUNCT
admet-794	98	67	subscripted	subscripte	VERB
admet-794	98	68	here	here	ADV
admet-794	98	69	,	,	PUNCT
admet-794	98	70	so	so	ADV
admet-794	98	71	as	as	SCONJ
admet-794	98	72	not	not	PART
admet-794	98	73	to	to	PART
admet-794	98	74	be	be	AUX
admet-794	98	75	confused	confuse	VERB
admet-794	98	76	with	with	ADP
admet-794	98	77	solubility	solubility	NOUN
admet-794	98	78	)	)	PUNCT
admet-794	98	79	,	,	PUNCT
admet-794	98	80	e	e	X
admet-794	98	81	is	be	AUX
admet-794	98	82	an	an	DET
admet-794	98	83	excess	excess	ADJ
admet-794	98	84	molar	molar	ADJ
admet-794	98	85	refraction	refraction	NOUN
admet-794	98	86	in	in	ADP
admet-794	98	87	units	unit	NOUN
admet-794	98	88	of	of	ADP
admet-794	98	89	(	(	PUNCT
admet-794	98	90	cm3·mol-1)/10	cm3·mol-1)/10	ADJ
admet-794	98	91	,	,	PUNCT
admet-794	98	92	and	and	CCONJ
admet-794	98	93	v	v	NOUN
admet-794	98	94	is	be	AUX
admet-794	98	95	the	the	DET
admet-794	98	96	mcgowan	mcgowan	PROPN
admet-794	98	97	characteristic	characteristic	PROPN
admet-794	98	98	volume	volume	NOUN
admet-794	98	99	in	in	ADP
admet-794	98	100	units	unit	NOUN
admet-794	98	101	of	of	ADP
admet-794	98	102	(	(	PUNCT
admet-794	98	103	cm3·mol-1)/100	cm3·mol-1)/100	X
admet-794	98	104	.	.	PUNCT
admet-794	99	1	in	in	ADP
admet-794	99	2	principle	principle	NOUN
admet-794	99	3	,	,	PUNCT
admet-794	99	4	the	the	DET
admet-794	99	5	five	five	NUM
admet-794	99	6	solute	solute	ADJ
admet-794	99	7	variables	variable	NOUN
admet-794	99	8	could	could	AUX
admet-794	99	9	account	account	VERB
admet-794	99	10	for	for	ADP
admet-794	99	11	any	any	DET
admet-794	99	12	shortcomings	shortcoming	NOUN
admet-794	99	13	of	of	ADP
admet-794	99	14	just	just	ADV
admet-794	99	15	using	use	VERB
admet-794	99	16	clogp	clogp	NOUN
admet-794	99	17	,	,	PUNCT
admet-794	99	18	as	as	ADP
admet-794	99	19	in	in	ADP
admet-794	99	20	eq	eq	NOUN
admet-794	99	21	.	.	PUNCT
admet-794	100	1	(	(	PUNCT
admet-794	100	2	1	1	NUM
admet-794	100	3	)	)	PUNCT
admet-794	100	4	.	.	PUNCT
admet-794	101	1	the	the	DET
admet-794	101	2	a∙b	a∙b	NUM
admet-794	101	3	cross	cross	ADJ
admet-794	101	4	-	-	NOUN
admet-794	101	5	term	term	NOUN
admet-794	101	6	in	in	ADP
admet-794	101	7	eq	eq	ADP
admet-794	101	8	.	.	PUNCT
admet-794	102	1	(	(	PUNCT
admet-794	102	2	4	4	X
admet-794	102	3	)	)	PUNCT
admet-794	102	4	was	be	AUX
admet-794	102	5	intended	intend	VERB
admet-794	102	6	to	to	PART
admet-794	102	7	address	address	VERB
admet-794	102	8	intermolecular	intermolecular	ADJ
admet-794	102	9	h	h	NOUN
admet-794	102	10	-	-	PUNCT
admet-794	102	11	bond	bond	NOUN
admet-794	102	12	interactions	interaction	NOUN
admet-794	102	13	between	between	ADP
admet-794	102	14	acid	acid	NOUN
admet-794	102	15	and	and	CCONJ
admet-794	102	16	base	base	ADJ
admet-794	102	17	functional	functional	ADJ
admet-794	102	18	groups	group	NOUN
admet-794	102	19	in	in	ADP
admet-794	102	20	the	the	DET
admet-794	102	21	solid	solid	ADJ
admet-794	102	22	or	or	CCONJ
admet-794	102	23	liquid	liquid	ADJ
admet-794	102	24	environment	environment	NOUN
admet-794	102	25	.	.	PUNCT
admet-794	103	1	its	its	PRON
admet-794	103	2	inclusion	inclusion	NOUN
admet-794	103	3	,	,	PUNCT
admet-794	103	4	as	as	ADP
admet-794	103	5	an	an	DET
admet-794	103	6	alternative	alternative	NOUN
admet-794	103	7	to	to	ADP
admet-794	103	8	using	use	VERB
admet-794	103	9	the	the	DET
admet-794	103	10	mp	mp	NOUN
admet-794	103	11	term	term	NOUN
admet-794	103	12	in	in	ADP
admet-794	103	13	eq	eq	ADP
admet-794	103	14	.	.	PUNCT
admet-794	103	15	(	(	PUNCT
admet-794	103	16	1	1	NUM
admet-794	103	17	)	)	PUNCT
admet-794	103	18	,	,	PUNCT
admet-794	103	19	was	be	AUX
admet-794	103	20	intended	intend	VERB
admet-794	103	21	to	to	PART
admet-794	103	22	improve	improve	VERB
admet-794	103	23	the	the	DET
admet-794	103	24	prediction	prediction	NOUN
admet-794	103	25	accuracy	accuracy	NOUN
admet-794	103	26	of	of	ADP
admet-794	103	27	eq	eq	PROPN
admet-794	103	28	.	.	PUNCT
admet-794	104	1	(	(	PUNCT
admet-794	104	2	4	4	NUM
admet-794	104	3	)	)	PUNCT
admet-794	104	4	.	.	PUNCT
admet-794	105	1	the	the	DET
admet-794	105	2	c0	c0	PROPN
admet-794	105	3	-	-	PUNCT
admet-794	105	4	c6	c6	PROPN
admet-794	105	5	coefficients	coefficient	NOUN
admet-794	105	6	in	in	ADP
admet-794	105	7	eq	eq	ADP
admet-794	105	8	.	.	PUNCT
admet-794	106	1	(	(	PUNCT
admet-794	106	2	4	4	X
admet-794	106	3	)	)	PUNCT
admet-794	106	4	are	be	AUX
admet-794	106	5	usually	usually	ADV
admet-794	106	6	determined	determine	VERB
admet-794	106	7	by	by	ADP
admet-794	106	8	multiple	multiple	ADJ
admet-794	106	9	linear	linear	ADJ
admet-794	106	10	regression	regression	NOUN
admet-794	106	11	(	(	PUNCT
admet-794	106	12	mlr	mlr	NOUN
admet-794	106	13	)	)	PUNCT
admet-794	106	14	,	,	PUNCT
admet-794	106	15	trained	train	VERB
admet-794	106	16	on	on	ADP
admet-794	106	17	a	a	DET
admet-794	106	18	set	set	NOUN
admet-794	106	19	of	of	ADP
admet-794	106	20	intrinsic	intrinsic	ADJ
admet-794	106	21	solubility	solubility	NOUN
admet-794	106	22	values	value	NOUN
admet-794	106	23	of	of	ADP
admet-794	106	24	a	a	DET
admet-794	106	25	diverse	diverse	ADJ
admet-794	106	26	collection	collection	NOUN
admet-794	106	27	of	of	ADP
admet-794	106	28	molecules	molecule	NOUN
admet-794	106	29	.	.	PUNCT
admet-794	107	1	the	the	DET
admet-794	107	2	five	five	NUM
admet-794	107	3	abraham	abraham	PROPN
admet-794	107	4	solvation	solvation	NOUN
admet-794	107	5	descriptors	descriptor	NOUN
admet-794	107	6	may	may	AUX
admet-794	107	7	be	be	AUX
admet-794	107	8	calculated	calculate	VERB
admet-794	107	9	from	from	ADP
admet-794	107	10	2d	2d	NUM
admet-794	107	11	structure	structure	NOUN
admet-794	107	12	(	(	PUNCT
admet-794	107	13	introduced	introduce	VERB
admet-794	107	14	as	as	ADP
admet-794	107	15	a	a	DET
admet-794	107	16	smiles	smile	NOUN
admet-794	107	17	text	text	NOUN
admet-794	107	18	or	or	CCONJ
admet-794	107	19	as	as	ADP
admet-794	107	20	coordinates	coordinate	NOUN
admet-794	107	21	in	in	ADP
admet-794	107	22	a	a	DET
admet-794	107	23	‘	'	PUNCT
admet-794	107	24	mol	mol	NOUN
admet-794	107	25	’	'	PUNCT
admet-794	107	26	format	format	NOUN
admet-794	107	27	)	)	PUNCT
admet-794	107	28	using	use	VERB
admet-794	107	29	the	the	DET
admet-794	107	30	program	program	NOUN
admet-794	107	31	absolv	absolv	NOUN
admet-794	108	1	[	[	X
admet-794	108	2	42	42	NUM
admet-794	108	3	]	]	PUNCT
admet-794	108	4	(	(	PUNCT
admet-794	108	5	cf	cf	NOUN
admet-794	108	6	.	.	NUM
admet-794	108	7	,	,	PUNCT
admet-794	108	8	www.acdlabs.com	www.acdlabs.com	NOUN
admet-794	108	9	)	)	PUNCT
admet-794	108	10	.	.	PUNCT
admet-794	109	1	in	in	ADP
admet-794	109	2	the	the	DET
admet-794	109	3	present	present	ADJ
admet-794	109	4	study	study	NOUN
admet-794	109	5	,	,	PUNCT
admet-794	109	6	the	the	DET
admet-794	109	7	seven	seven	NUM
admet-794	109	8	mlr	mlr	NOUN
admet-794	109	9	coefficients	coefficient	NOUN
admet-794	109	10	were	be	AUX
admet-794	109	11	redetermined	redetermine	VERB
admet-794	109	12	using	use	VERB
admet-794	109	13	our	our	PRON
admet-794	109	14	own	own	ADJ
admet-794	109	15	training	training	NOUN
admet-794	109	16	data	datum	NOUN
admet-794	109	17	(	(	PUNCT
admet-794	109	18	wiki	wiki	NOUN
admet-794	109	19	-	-	PUNCT
admet-794	109	20	ps0	ps0	ADJ
admet-794	109	21	database	database	NOUN
admet-794	109	22	)	)	PUNCT
admet-794	109	23	,	,	PUNCT
admet-794	109	24	with	with	SCONJ
admet-794	109	25	log	log	NOUN
admet-794	109	26	s0	s0	PROPN
admet-794	109	27	data	datum	NOUN
admet-794	109	28	weighted	weight	VERB
admet-794	109	29	in	in	ADP
admet-794	109	30	the	the	DET
admet-794	109	31	regression	regression	NOUN
admet-794	109	32	analysis	analysis	NOUN
admet-794	109	33	according	accord	VERB
admet-794	109	34	to	to	ADP
admet-794	109	35	estimated	estimate	VERB
admet-794	109	36	measurement	measurement	NOUN
admet-794	109	37	errors	error	NOUN
admet-794	109	38	[	[	X
admet-794	109	39	20	20	NUM
admet-794	109	40	]	]	PUNCT
admet-794	109	41	.	.	PUNCT
admet-794	110	1	furthermore	furthermore	ADV
admet-794	110	2	,	,	PUNCT
admet-794	110	3	we	we	PRON
admet-794	110	4	attempted	attempt	VERB
admet-794	110	5	to	to	PART
admet-794	110	6	improve	improve	VERB
admet-794	110	7	the	the	DET
admet-794	110	8	accuracy	accuracy	NOUN
admet-794	110	9	of	of	ADP
admet-794	110	10	eq	eq	PROPN
admet-794	110	11	.	.	PUNCT
admet-794	111	1	(	(	PUNCT
admet-794	111	2	4	4	NUM
admet-794	111	3	)	)	PUNCT
admet-794	111	4	when	when	SCONJ
admet-794	111	5	applied	apply	VERB
admet-794	111	6	to	to	ADP
admet-794	111	7	big	big	ADJ
admet-794	111	8	compounds	compound	NOUN
admet-794	111	9	,	,	PUNCT
admet-794	111	10	by	by	ADP
admet-794	111	11	introducing	introduce	VERB
admet-794	111	12	a	a	DET
admet-794	111	13	nonlinear	nonlinear	ADJ
admet-794	111	14	term	term	NOUN
admet-794	111	15	,	,	PUNCT
admet-794	111	16	http://dx.doi.org/10.5599/admet.794	http://dx.doi.org/10.5599/admet.794	ADJ
admet-794	111	17	http://www.acdlabs.com/	http://www.acdlabs.com/	NOUN
admet-794	111	18	alex	alex	PROPN
admet-794	111	19	avdeef	avdeef	PROPN
admet-794	111	20	and	and	CCONJ
admet-794	111	21	manfred	manfred	PROPN
admet-794	111	22	kansy	kansy	PROPN
admet-794	111	23	admet	admet	PROPN
admet-794	111	24	&	&	CCONJ
admet-794	111	25	dmpk	dmpk	PROPN
admet-794	111	26	8(3	8(3	NUM
admet-794	111	27	)	)	PUNCT
admet-794	111	28	(	(	PUNCT
admet-794	111	29	2020	2020	NUM
admet-794	111	30	)	)	PUNCT
admet-794	111	31	180	180	NUM
admet-794	111	32	-	-	SYM
admet-794	111	33	206	206	NUM
admet-794	111	34	184	184	NUM
admet-794	111	35	log	log	NOUN
admet-794	111	36	s0	s0	PROPN
admet-794	111	37	mod	mod	PROPN
admet-794	111	38	-	-	PUNCT
admet-794	111	39	absolv	absolv	NOUN
admet-794	111	40	=	=	PUNCT
admet-794	111	41	log	log	NOUN
admet-794	111	42	s0	s0	PROPN
admet-794	111	43	absolv	absolv	PROPN
admet-794	111	44	+	+	CCONJ
admet-794	112	1	c7	c7	PROPN
admet-794	112	2	b	b	PROPN
admet-794	112	3	+	+	PROPN
admet-794	112	4	z	z	PROPN
admet-794	112	5	(	(	PUNCT
admet-794	112	6	5	5	NUM
admet-794	112	7	)	)	PUNCT
admet-794	112	8	due	due	ADP
admet-794	112	9	to	to	ADP
admet-794	112	10	potentially	potentially	ADV
admet-794	112	11	high	high	ADJ
admet-794	112	12	linear	linear	ADJ
admet-794	112	13	correlations	correlation	NOUN
admet-794	112	14	among	among	ADP
admet-794	112	15	the	the	DET
admet-794	112	16	descriptors	descriptor	NOUN
admet-794	112	17	,	,	PUNCT
admet-794	112	18	partial	partial	ADJ
admet-794	112	19	least	least	ADJ
admet-794	112	20	squares	square	NOUN
admet-794	112	21	(	(	PUNCT
admet-794	112	22	pls	pls	INTJ
admet-794	112	23	)	)	PUNCT
admet-794	112	24	regression	regression	NOUN
admet-794	112	25	(	(	PUNCT
admet-794	112	26	open	open	ADJ
admet-794	112	27	source	source	NOUN
admet-794	112	28	package	package	NOUN
admet-794	112	29	in	in	ADP
admet-794	112	30	r	r	NOUN
admet-794	112	31	:	:	PUNCT
admet-794	112	32	https://cran.r-project.org/web/packages/pls/	https://cran.r-project.org/web/packages/pls/	X
admet-794	112	33	)	)	PUNCT
admet-794	112	34	was	be	AUX
admet-794	112	35	used	use	VERB
admet-794	112	36	(	(	PUNCT
admet-794	112	37	instead	instead	ADV
admet-794	112	38	of	of	ADP
admet-794	112	39	mlr	mlr	NOUN
admet-794	112	40	)	)	PUNCT
admet-794	112	41	to	to	PART
admet-794	112	42	determine	determine	VERB
admet-794	112	43	c0	c0	NOUN
admet-794	112	44	-	-	PUNCT
admet-794	112	45	c7	c7	PROPN
admet-794	112	46	for	for	ADP
admet-794	112	47	given	give	VERB
admet-794	112	48	values	value	NOUN
admet-794	112	49	of	of	ADP
admet-794	112	50	z.	z.	PROPN
admet-794	112	51	several	several	ADJ
admet-794	112	52	z	z	NOUN
admet-794	112	53	values	value	NOUN
admet-794	112	54	in	in	ADP
admet-794	112	55	the	the	DET
admet-794	112	56	range	range	NOUN
admet-794	112	57	0.9	0.9	NUM
admet-794	112	58	to	to	ADP
admet-794	112	59	2.0	2.0	NUM
admet-794	112	60	were	be	AUX
admet-794	112	61	tested	test	VERB
admet-794	112	62	;	;	PUNCT
admet-794	112	63	the	the	DET
admet-794	112	64	best	well	ADV
admet-794	112	65	-	-	PUNCT
admet-794	112	66	fit	fit	ADJ
admet-794	112	67	exponent	exponent	NOUN
admet-794	112	68	was	be	AUX
admet-794	112	69	selected	select	VERB
admet-794	112	70	as	as	ADP
admet-794	112	71	the	the	DET
admet-794	112	72	minimum	minimum	ADJ
admet-794	112	73	point	point	NOUN
admet-794	112	74	in	in	ADP
admet-794	112	75	the	the	DET
admet-794	112	76	fit	fit	NOUN
admet-794	112	77	of	of	ADP
admet-794	112	78	pls	pls	NOUN
admet-794	112	79	root	root	NOUN
admet-794	112	80	-	-	PUNCT
admet-794	112	81	mean	mean	ADJ
admet-794	112	82	-	-	PUNCT
admet-794	112	83	square	square	NOUN
admet-794	112	84	error	error	NOUN
admet-794	112	85	(	(	PUNCT
admet-794	112	86	rmse	rmse	NOUN
admet-794	112	87	)	)	PUNCT
admet-794	112	88	vs.	vs.	ADP
admet-794	112	89	z.	z.	PROPN
admet-794	112	90	random	random	PROPN
admet-794	112	91	forest	forest	NOUN
admet-794	112	92	regression	regression	NOUN
admet-794	112	93	of	of	ADP
admet-794	112	94	the	the	DET
admet-794	112	95	new	new	ADJ
admet-794	112	96	machine	machine	NOUN
admet-794	112	97	-	-	PUNCT
admet-794	112	98	learning	learn	VERB
admet-794	112	99	statistical	statistical	ADJ
admet-794	112	100	approaches	approach	NOUN
admet-794	112	101	,	,	PUNCT
admet-794	112	102	the	the	DET
admet-794	112	103	random	random	ADJ
admet-794	112	104	forest	forest	NOUN
admet-794	112	105	regression	regression	NOUN
admet-794	112	106	(	(	PUNCT
admet-794	112	107	rfr	rfr	PROPN
admet-794	112	108	)	)	PUNCT
admet-794	112	109	method	method	NOUN
admet-794	112	110	is	be	AUX
admet-794	112	111	thought	think	VERB
admet-794	112	112	to	to	PART
admet-794	112	113	be	be	AUX
admet-794	112	114	one	one	NUM
admet-794	112	115	of	of	ADP
admet-794	112	116	the	the	DET
admet-794	112	117	most	most	ADV
admet-794	112	118	accurate	accurate	ADJ
admet-794	112	119	in	in	ADP
admet-794	112	120	predicting	predict	VERB
admet-794	112	121	solubility	solubility	NOUN
admet-794	113	1	[	[	X
admet-794	113	2	17	17	NUM
admet-794	113	3	-	-	SYM
admet-794	113	4	20	20	NUM
admet-794	113	5	]	]	PUNCT
admet-794	113	6	.	.	PUNCT
admet-794	114	1	rfr	rfr	PROPN
admet-794	114	2	can	can	AUX
admet-794	114	3	be	be	AUX
admet-794	114	4	employed	employ	VERB
admet-794	114	5	‘	'	PUNCT
admet-794	114	6	off	off	ADP
admet-794	114	7	the	the	DET
admet-794	114	8	shelf	shelf	NOUN
admet-794	114	9	,	,	PUNCT
admet-794	114	10	’	'	PUNCT
admet-794	114	11	requiring	require	VERB
admet-794	114	12	only	only	ADV
admet-794	114	13	minimal	minimal	ADJ
admet-794	114	14	learning	learning	NOUN
admet-794	114	15	[	[	X
admet-794	114	16	19	19	NUM
admet-794	114	17	]	]	PUNCT
admet-794	114	18	.	.	PUNCT
admet-794	115	1	the	the	DET
admet-794	115	2	provided	provide	VERB
admet-794	115	3	default	default	NOUN
admet-794	115	4	‘	'	PUNCT
admet-794	115	5	tuning	tuning	NOUN
admet-794	115	6	’	'	PUNCT
admet-794	115	7	parameters	parameter	NOUN
admet-794	115	8	are	be	AUX
admet-794	115	9	nearly	nearly	ADV
admet-794	115	10	optimal	optimal	ADJ
admet-794	115	11	.	.	PUNCT
admet-794	116	1	however	however	ADV
admet-794	116	2	,	,	PUNCT
admet-794	116	3	its	its	PRON
admet-794	116	4	‘	'	PUNCT
admet-794	116	5	black	black	ADJ
admet-794	116	6	box	box	NOUN
admet-794	116	7	’	'	PUNCT
admet-794	116	8	nature	nature	NOUN
admet-794	116	9	makes	make	VERB
admet-794	116	10	the	the	DET
admet-794	116	11	outcome	outcome	NOUN
admet-794	116	12	of	of	ADP
admet-794	116	13	the	the	DET
admet-794	116	14	analysis	analysis	NOUN
admet-794	116	15	challenging	challenge	VERB
admet-794	116	16	to	to	PART
admet-794	116	17	interpret	interpret	VERB
admet-794	116	18	in	in	ADP
admet-794	116	19	terms	term	NOUN
admet-794	116	20	of	of	ADP
admet-794	116	21	the	the	DET
admet-794	116	22	descriptors	descriptor	NOUN
admet-794	116	23	used	use	VERB
admet-794	116	24	,	,	PUNCT
admet-794	116	25	even	even	ADV
admet-794	116	26	when	when	SCONJ
admet-794	116	27	the	the	DET
admet-794	116	28	most	most	ADV
admet-794	116	29	important	important	ADJ
admet-794	116	30	descriptors	descriptor	NOUN
admet-794	116	31	are	be	AUX
admet-794	116	32	quantitatively	quantitatively	ADV
admet-794	116	33	ranked	rank	VERB
admet-794	116	34	in	in	ADP
admet-794	116	35	rfr	rfr	PROPN
admet-794	116	36	.	.	PUNCT
admet-794	117	1	the	the	DET
admet-794	117	2	method	method	NOUN
admet-794	117	3	was	be	AUX
admet-794	117	4	introduced	introduce	VERB
admet-794	117	5	in	in	ADP
admet-794	117	6	2001	2001	NUM
admet-794	117	7	by	by	ADP
admet-794	117	8	brieman	brieman	NOUN
admet-794	117	9	[	[	X
admet-794	117	10	43	43	NUM
admet-794	117	11	]	]	PUNCT
admet-794	117	12	,	,	PUNCT
admet-794	117	13	and	and	CCONJ
admet-794	117	14	is	be	AUX
admet-794	117	15	implemented	implement	VERB
admet-794	117	16	in	in	ADP
admet-794	117	17	the	the	DET
admet-794	117	18	open	open	ADJ
admet-794	117	19	-	-	PUNCT
admet-794	117	20	source	source	NOUN
admet-794	117	21	‘	'	PUNCT
admet-794	117	22	randomforest	randomfor	ADJ
admet-794	117	23	’	'	PUNCT
admet-794	117	24	library	library	NOUN
admet-794	117	25	for	for	ADP
admet-794	117	26	the	the	DET
admet-794	117	27	r	r	NOUN
admet-794	117	28	statistical	statistical	ADJ
admet-794	117	29	software	software	NOUN
admet-794	117	30	[	[	X
admet-794	117	31	44	44	NUM
admet-794	117	32	-	-	SYM
admet-794	117	33	46	46	NUM
admet-794	117	34	]	]	PUNCT
admet-794	117	35	.	.	PUNCT
admet-794	118	1	rfr	rfr	PROPN
admet-794	118	2	works	work	VERB
admet-794	118	3	by	by	ADP
admet-794	118	4	constructing	construct	VERB
admet-794	118	5	an	an	DET
admet-794	118	6	ensemble	ensemble	NOUN
admet-794	118	7	of	of	ADP
admet-794	118	8	hundreds	hundred	NOUN
admet-794	118	9	of	of	ADP
admet-794	118	10	decision	decision	NOUN
admet-794	118	11	trees	tree	NOUN
admet-794	118	12	[	[	X
admet-794	118	13	47	47	NUM
admet-794	118	14	]	]	PUNCT
admet-794	118	15	.	.	PUNCT
admet-794	119	1	the	the	DET
admet-794	119	2	tutorial	tutorial	ADJ
admet-794	119	3	chapter	chapter	NOUN
admet-794	119	4	by	by	ADP
admet-794	119	5	walters	walters	PROPN
admet-794	119	6	[	[	X
admet-794	119	7	19	19	NUM
admet-794	119	8	]	]	PUNCT
admet-794	119	9	is	be	AUX
admet-794	119	10	highly	highly	ADV
admet-794	119	11	recommended	recommend	VERB
admet-794	119	12	as	as	ADP
admet-794	119	13	a	a	DET
admet-794	119	14	means	means	NOUN
admet-794	119	15	to	to	PART
admet-794	119	16	get	get	AUX
admet-794	119	17	started	start	VERB
admet-794	119	18	with	with	ADP
admet-794	119	19	rfr	rfr	PROPN
admet-794	119	20	.	.	PUNCT
admet-794	120	1	the	the	DET
admet-794	120	2	first	first	ADJ
admet-794	120	3	applications	application	NOUN
admet-794	120	4	of	of	ADP
admet-794	120	5	rfr	rfr	PROPN
admet-794	120	6	to	to	PART
admet-794	120	7	predict	predict	VERB
admet-794	120	8	solubility	solubility	NOUN
admet-794	120	9	appeared	appear	VERB
admet-794	120	10	in	in	ADP
admet-794	120	11	2007	2007	NUM
admet-794	120	12	[	[	X
admet-794	120	13	17,48	17,48	X
admet-794	120	14	]	]	PUNCT
admet-794	120	15	.	.	PUNCT
admet-794	121	1	schroeter	schroeter	PROPN
admet-794	121	2	et	et	PROPN
admet-794	121	3	al	al	PROPN
admet-794	121	4	.	.	PUNCT
admet-794	122	1	[	[	X
admet-794	122	2	48	48	NUM
admet-794	122	3	]	]	PUNCT
admet-794	122	4	used	use	VERB
admet-794	122	5	sw	sw	PROPN
admet-794	122	6	and	and	CCONJ
admet-794	122	7	sph	sph	PROPN
admet-794	122	8	data	datum	NOUN
admet-794	122	9	to	to	PART
admet-794	122	10	train	train	VERB
admet-794	122	11	a	a	DET
admet-794	122	12	rfr	rfr	PROPN
admet-794	122	13	method	method	NOUN
admet-794	122	14	,	,	PUNCT
admet-794	122	15	using	use	VERB
admet-794	122	16	~4000	~4000	NUM
admet-794	122	17	measurements	measurement	NOUN
admet-794	122	18	mostly	mostly	ADV
admet-794	122	19	taken	take	VERB
admet-794	122	20	from	from	ADP
admet-794	122	21	secondary	secondary	ADJ
admet-794	122	22	sources	source	NOUN
admet-794	122	23	[	[	X
admet-794	122	24	12,49,50	12,49,50	NUM
admet-794	122	25	]	]	X
admet-794	122	26	and	and	CCONJ
admet-794	122	27	some	some	PRON
admet-794	122	28	from	from	ADP
admet-794	122	29	in	in	ADP
admet-794	122	30	-	-	PUNCT
admet-794	122	31	house	house	NOUN
admet-794	122	32	(	(	PUNCT
admet-794	122	33	bayer	bayer	PROPN
admet-794	122	34	schering	schering	PROPN
admet-794	122	35	pharma	pharma	PROPN
admet-794	122	36	)	)	PUNCT
admet-794	122	37	sources	source	NOUN
admet-794	122	38	.	.	PUNCT
admet-794	123	1	for	for	ADP
admet-794	123	2	the	the	DET
admet-794	123	3	huuskonen	huuskonen	PROPN
admet-794	123	4	data	data	PROPN
admet-794	124	1	[	[	X
admet-794	124	2	12	12	NUM
admet-794	124	3	]	]	PUNCT
admet-794	124	4	as	as	SCONJ
admet-794	124	5	test	test	NOUN
admet-794	124	6	set	set	NOUN
admet-794	124	7	,	,	PUNCT
admet-794	124	8	rmse	rmse	NOUN
admet-794	124	9	=	=	NUM
admet-794	125	1	0.66	0.66	NUM
admet-794	125	2	log	log	NOUN
admet-794	125	3	unit	unit	NOUN
admet-794	125	4	(	(	PUNCT
admet-794	125	5	n=1290	n=1290	PROPN
admet-794	125	6	)	)	PUNCT
admet-794	125	7	was	be	AUX
admet-794	125	8	reported	report	VERB
admet-794	125	9	.	.	PUNCT
admet-794	126	1	for	for	SCONJ
admet-794	126	2	the	the	DET
admet-794	126	3	solubility	solubility	NOUN
admet-794	126	4	data	datum	NOUN
admet-794	126	5	in	in	ADP
admet-794	126	6	the	the	DET
admet-794	126	7	domain	domain	NOUN
admet-794	126	8	of	of	ADP
admet-794	126	9	applicability	applicability	NOUN
admet-794	126	10	(	(	PUNCT
admet-794	126	11	doa	doa	NOUN
admet-794	126	12	)	)	PUNCT
admet-794	126	13	matching	match	VERB
admet-794	126	14	that	that	PRON
admet-794	126	15	of	of	ADP
admet-794	126	16	research	research	NOUN
admet-794	126	17	compounds	compound	NOUN
admet-794	126	18	(	(	PUNCT
admet-794	126	19	10	10	NUM
admet-794	126	20	-	-	SYM
admet-794	126	21	3	3	NUM
admet-794	126	22	to	to	PART
admet-794	126	23	10	10	NUM
admet-794	126	24	-	-	SYM
admet-794	126	25	7	7	NUM
admet-794	126	26	m	m	NOUN
admet-794	126	27	solubility	solubility	NOUN
admet-794	126	28	)	)	PUNCT
admet-794	126	29	,	,	PUNCT
admet-794	126	30	the	the	DET
admet-794	126	31	rfr	rfr	PROPN
admet-794	126	32	method	method	NOUN
admet-794	126	33	indicated	indicate	VERB
admet-794	126	34	rmse	rmse	NOUN
admet-794	126	35	~	~	PUNCT
admet-794	126	36	0.85	0.85	NUM
admet-794	126	37	log	log	NOUN
admet-794	126	38	.	.	PUNCT
admet-794	127	1	in	in	ADP
admet-794	127	2	the	the	DET
admet-794	127	3	palmer	palmer	PROPN
admet-794	127	4	et	et	PROPN
admet-794	127	5	al	al	PROPN
admet-794	127	6	.	.	PUNCT
admet-794	128	1	[	[	X
admet-794	128	2	17	17	NUM
admet-794	128	3	]	]	X
admet-794	128	4	rfr	rfr	PROPN
admet-794	128	5	study	study	NOUN
admet-794	128	6	,	,	PUNCT
admet-794	128	7	aqueous	aqueous	ADJ
admet-794	128	8	solubility	solubility	NOUN
admet-794	128	9	values	value	NOUN
admet-794	128	10	of	of	ADP
admet-794	128	11	998	998	NUM
admet-794	128	12	structurally	structurally	ADV
admet-794	128	13	diverse	diverse	ADJ
admet-794	128	14	druglike	druglike	NOUN
admet-794	128	15	solid	solid	ADJ
admet-794	128	16	organic	organic	ADJ
admet-794	128	17	compounds	compound	NOUN
admet-794	128	18	were	be	AUX
admet-794	128	19	gathered	gather	VERB
admet-794	128	20	from	from	ADP
admet-794	128	21	similar	similar	ADJ
admet-794	128	22	secondary	secondary	ADJ
admet-794	128	23	sources	source	NOUN
admet-794	128	24	[	[	X
admet-794	128	25	12,51,52	12,51,52	NUM
admet-794	128	26	]	]	X
admet-794	128	27	.	.	PUNCT
admet-794	129	1	the	the	DET
admet-794	129	2	authors	author	NOUN
admet-794	129	3	used	use	VERB
admet-794	129	4	the	the	DET
admet-794	129	5	molecular	molecular	ADJ
admet-794	129	6	operating	operating	NOUN
admet-794	129	7	environment	environment	NOUN
admet-794	129	8	(	(	PUNCT
admet-794	129	9	moe	moe	NOUN
admet-794	129	10	)	)	PUNCT
admet-794	130	1	[	[	X
admet-794	130	2	53	53	NUM
admet-794	130	3	]	]	PUNCT
admet-794	130	4	to	to	PART
admet-794	130	5	generate	generate	VERB
admet-794	130	6	126	126	NUM
admet-794	130	7	2d	2d	NOUN
admet-794	130	8	(	(	PUNCT
admet-794	130	9	clogp	clogp	ADJ
admet-794	130	10	,	,	PUNCT
admet-794	130	11	mr	mr	PROPN
admet-794	130	12	,	,	PUNCT
admet-794	130	13	charged	charge	VERB
admet-794	130	14	-	-	PUNCT
admet-794	130	15	surface	surface	NOUN
admet-794	130	16	properties	property	NOUN
admet-794	130	17	,	,	PUNCT
admet-794	130	18	atom	atom	NOUN
admet-794	130	19	,	,	PUNCT
admet-794	130	20	group	group	NOUN
admet-794	130	21	,	,	PUNCT
admet-794	130	22	and	and	CCONJ
admet-794	130	23	h	h	NOUN
admet-794	130	24	-	-	PUNCT
admet-794	130	25	bond	bond	NOUN
admet-794	130	26	counts	count	NOUN
admet-794	130	27	,	,	PUNCT
admet-794	130	28	connectivity	connectivity	NOUN
admet-794	130	29	and	and	CCONJ
admet-794	130	30	topological	topological	ADJ
admet-794	130	31	indices	index	NOUN
admet-794	130	32	)	)	PUNCT
admet-794	130	33	and	and	CCONJ
admet-794	130	34	36	36	NUM
admet-794	130	35	3d	3d	NOUN
admet-794	130	36	(	(	PUNCT
admet-794	130	37	total	total	ADJ
admet-794	130	38	potential	potential	ADJ
admet-794	130	39	energy	energy	NOUN
admet-794	130	40	,	,	PUNCT
admet-794	130	41	electrostatic	electrostatic	ADJ
admet-794	130	42	contributions	contribution	NOUN
admet-794	130	43	,	,	PUNCT
admet-794	130	44	molecular	molecular	ADJ
admet-794	130	45	shape	shape	NOUN
admet-794	130	46	,	,	PUNCT
admet-794	130	47	and	and	CCONJ
admet-794	130	48	solvent	solvent	ADJ
admet-794	130	49	-	-	PUNCT
admet-794	130	50	accessible	accessible	ADJ
admet-794	130	51	surface	surface	NOUN
admet-794	130	52	area	area	NOUN
admet-794	130	53	)	)	PUNCT
admet-794	130	54	descriptors	descriptor	NOUN
admet-794	130	55	.	.	PUNCT
admet-794	131	1	randomly	randomly	ADV
admet-794	131	2	splitting	split	VERB
admet-794	131	3	the	the	DET
admet-794	131	4	entire	entire	ADJ
admet-794	131	5	data	datum	NOUN
admet-794	131	6	into	into	ADP
admet-794	131	7	a	a	DET
admet-794	131	8	training	training	NOUN
admet-794	131	9	set	set	NOUN
admet-794	131	10	(	(	PUNCT
admet-794	131	11	70	70	NUM
admet-794	131	12	%	%	NOUN
admet-794	131	13	)	)	PUNCT
admet-794	131	14	and	and	CCONJ
admet-794	131	15	an	an	DET
admet-794	131	16	internal	internal	ADJ
admet-794	131	17	validation	validation	NOUN
admet-794	131	18	set	set	NOUN
admet-794	131	19	(	(	PUNCT
admet-794	131	20	30	30	NUM
admet-794	131	21	%	%	NOUN
admet-794	131	22	)	)	PUNCT
admet-794	131	23	produces	produce	VERB
admet-794	131	24	a	a	DET
admet-794	131	25	good	good	ADJ
admet-794	131	26	measure	measure	NOUN
admet-794	131	27	of	of	ADP
admet-794	131	28	the	the	DET
admet-794	131	29	model	model	NOUN
admet-794	131	30	predictivity	predictivity	NOUN
admet-794	131	31	of	of	ADP
admet-794	131	32	compounds	compound	NOUN
admet-794	131	33	not	not	PART
admet-794	131	34	included	include	VERB
admet-794	131	35	in	in	ADP
admet-794	131	36	the	the	DET
admet-794	131	37	training	training	NOUN
admet-794	131	38	set	set	NOUN
admet-794	131	39	:	:	PUNCT
admet-794	131	40	r2	r2	PROPN
admet-794	131	41	=	=	SYM
admet-794	131	42	0.89	0.89	NUM
admet-794	131	43	,	,	PUNCT
admet-794	131	44	rmse	rmse	NOUN
admet-794	131	45	=	=	SYM
admet-794	131	46	0.69	0.69	NUM
admet-794	131	47	log	log	NOUN
admet-794	131	48	,	,	PUNCT
admet-794	131	49	n	n	NOUN
admet-794	131	50	=	=	SYM
admet-794	131	51	330	330	NUM
admet-794	131	52	.	.	PUNCT
admet-794	132	1	more	more	ADV
admet-794	132	2	recently	recently	ADV
admet-794	132	3	,	,	PUNCT
admet-794	132	4	walters	walters	PROPN
admet-794	132	5	[	[	X
admet-794	132	6	19	19	NUM
admet-794	132	7	]	]	PUNCT
admet-794	132	8	critically	critically	ADV
admet-794	132	9	compared	compare	VERB
admet-794	132	10	the	the	DET
admet-794	132	11	huuskonen	huuskonen	PROPN
admet-794	132	12	thermodynamic	thermodynamic	PROPN
admet-794	132	13	sw	sw	PROPN
admet-794	132	14	values	value	NOUN
admet-794	132	15	(	(	PUNCT
admet-794	132	16	n	n	NOUN
admet-794	132	17	=	=	SYM
admet-794	132	18	1274	1274	NUM
admet-794	132	19	)	)	PUNCT
admet-794	133	1	[	[	X
admet-794	133	2	12	12	NUM
admet-794	133	3	]	]	PUNCT
admet-794	133	4	,	,	PUNCT
admet-794	133	5	the	the	DET
admet-794	133	6	llinas	llina	NOUN
admet-794	133	7	et	et	PROPN
admet-794	133	8	al	al	PROPN
admet-794	133	9	.	.	PUNCT
admet-794	134	1	thermodynamic	thermodynamic	ADJ
admet-794	134	2	s0	s0	PROPN
admet-794	134	3	values	value	NOUN
admet-794	134	4	(	(	PUNCT
admet-794	134	5	n	n	NOUN
admet-794	134	6	=	=	SYM
admet-794	134	7	94	94	NUM
admet-794	134	8	)	)	PUNCT
admet-794	135	1	[	[	X
admet-794	135	2	54	54	NUM
admet-794	135	3	]	]	PUNCT
admet-794	135	4	and	and	CCONJ
admet-794	135	5	pubchem	pubchem	NOUN
admet-794	135	6	(	(	PUNCT
admet-794	135	7	n=1000	n=1000	PROPN
admet-794	135	8	)	)	PUNCT
admet-794	135	9	kinetic	kinetic	ADJ
admet-794	135	10	high	high	ADJ
admet-794	135	11	-	-	PUNCT
admet-794	135	12	throughput	throughput	NOUN
admet-794	135	13	solubility	solubility	NOUN
admet-794	135	14	[	[	X
admet-794	135	15	55	55	NUM
admet-794	135	16	]	]	PUNCT
admet-794	135	17	databases	database	NOUN
admet-794	135	18	using	use	VERB
admet-794	135	19	the	the	DET
admet-794	135	20	rfr	rfr	PROPN
admet-794	135	21	framework	framework	NOUN
admet-794	135	22	.	.	PUNCT
admet-794	136	1	avdeef	avdeef	NOUN
admet-794	136	2	[	[	X
admet-794	136	3	20	20	NUM
admet-794	136	4	]	]	PUNCT
admet-794	136	5	applied	apply	VERB
admet-794	136	6	rfr	rfr	PROPN
admet-794	136	7	,	,	PUNCT
admet-794	136	8	trained	train	VERB
admet-794	136	9	with	with	ADP
admet-794	136	10	6355	6355	NUM
admet-794	136	11	log	log	NOUN
admet-794	136	12	s0	s0	PROPN
admet-794	136	13	values	value	NOUN
admet-794	136	14	,	,	PUNCT
admet-794	136	15	to	to	PART
admet-794	136	16	predict	predict	VERB
admet-794	136	17	the	the	DET
admet-794	136	18	solubility	solubility	NOUN
admet-794	136	19	of	of	ADP
admet-794	136	20	four	four	NUM
admet-794	136	21	well	well	ADV
admet-794	136	22	-	-	PUNCT
admet-794	136	23	publicized	publicize	VERB
admet-794	136	24	small	small	ADJ
admet-794	136	25	external	external	ADJ
admet-794	136	26	test	test	NOUN
admet-794	136	27	sets	set	NOUN
admet-794	136	28	,	,	PUNCT
admet-794	136	29	occasioning	occasion	VERB
admet-794	136	30	in	in	ADP
admet-794	136	31	rmse	rmse	NOUN
admet-794	136	32	from	from	ADP
admet-794	136	33	0.66	0.66	NUM
admet-794	136	34	to	to	ADP
admet-794	136	35	1.05	1.05	NUM
admet-794	136	36	log	log	NOUN
admet-794	136	37	.	.	PUNCT
admet-794	137	1	data	datum	NOUN
admet-794	137	2	wiki	wiki	PROPN
admet-794	137	3	-	-	PUNCT
admet-794	137	4	ps0	ps0	ADJ
admet-794	137	5	database	database	NOUN
admet-794	137	6	the	the	DET
admet-794	137	7	intrinsic	intrinsic	ADJ
admet-794	137	8	aqueous	aqueous	ADJ
admet-794	137	9	solubility	solubility	NOUN
admet-794	137	10	database	database	NOUN
admet-794	137	11	wiki	wiki	NOUN
admet-794	137	12	-	-	PUNCT
admet-794	137	13	ps0	ps0	ADJ
admet-794	137	14	(	(	PUNCT
admet-794	137	15	in	in	ADP
admet-794	137	16	-	-	PUNCT
admet-794	137	17	adme	adme	NOUN
admet-794	137	18	research	research	NOUN
admet-794	137	19	)	)	PUNCT
admet-794	138	1	[	[	X
admet-794	138	2	20,56	20,56	X
admet-794	138	3	]	]	X
admet-794	138	4	was	be	AUX
admet-794	138	5	used	use	VERB
admet-794	138	6	.	.	PUNCT
admet-794	139	1	it	it	PRON
admet-794	139	2	now	now	ADV
admet-794	139	3	contains	contain	VERB
admet-794	139	4	6473	6473	NUM
admet-794	139	5	log	log	NOUN
admet-794	139	6	s0	s0	NOUN
admet-794	139	7	(	(	PUNCT
admet-794	139	8	log	log	NOUN
admet-794	139	9	molar	molar	NOUN
admet-794	139	10	)	)	PUNCT
admet-794	139	11	entries	entry	NOUN
admet-794	139	12	,	,	PUNCT
admet-794	139	13	based	base	VERB
admet-794	139	14	on	on	ADP
admet-794	139	15	measured	measure	VERB
admet-794	139	16	aqueous	aqueous	ADJ
admet-794	139	17	solubility	solubility	NOUN
admet-794	139	18	values	value	NOUN
admet-794	139	19	of	of	ADP
admet-794	139	20	3065	3065	NUM
admet-794	139	21	different	different	ADJ
admet-794	139	22	compounds	compound	NOUN
admet-794	139	23	(	(	PUNCT
admet-794	139	24	excluding	exclude	VERB
admet-794	139	25	agrochemicals	agrochemical	NOUN
admet-794	139	26	)	)	PUNCT
admet-794	139	27	collected	collect	VERB
admet-794	139	28	from	from	ADP
admet-794	139	29	1415	1415	NUM
admet-794	139	30	cited	cite	VERB
admet-794	139	31	references	reference	NOUN
admet-794	139	32	.	.	PUNCT
admet-794	140	1	the	the	DET
admet-794	140	2	most	most	ADV
admet-794	140	3	reliable	reliable	ADJ
admet-794	140	4	published	publish	VERB
admet-794	140	5	data	datum	NOUN
admet-794	140	6	had	have	AUX
admet-794	140	7	been	be	AUX
admet-794	140	8	determined	determine	VERB
admet-794	140	9	by	by	ADP
admet-794	140	10	the	the	DET
admet-794	140	11	saturation	saturation	NOUN
admet-794	140	12	shake	shake	NOUN
admet-794	140	13	-	-	PUNCT
admet-794	140	14	flask	flask	NOUN
admet-794	140	15	(	(	PUNCT
admet-794	140	16	ssf	ssf	NOUN
admet-794	140	17	)	)	PUNCT
admet-794	140	18	method	method	NOUN
admet-794	140	19	,	,	PUNCT
admet-794	140	20	particularly	particularly	ADV
admet-794	140	21	when	when	SCONJ
admet-794	140	22	measured	measure	VERB
admet-794	140	23	as	as	ADP
admet-794	140	24	a	a	DET
admet-794	140	25	function	function	NOUN
admet-794	140	26	of	of	ADP
admet-794	140	27	ph	ph	PROPN
admet-794	140	28	.	.	PROPN
admet-794	140	29	in	in	ADP
admet-794	140	30	the	the	DET
admet-794	140	31	majority	majority	NOUN
admet-794	140	32	of	of	ADP
admet-794	140	33	the	the	DET
admet-794	140	34	cases	case	NOUN
admet-794	140	35	,	,	PUNCT
admet-794	140	36	the	the	DET
admet-794	140	37	literature	literature	NOUN
admet-794	140	38	data	datum	NOUN
admet-794	140	39	were	be	AUX
admet-794	140	40	further	far	ADV
admet-794	140	41	processed	process	VERB
admet-794	140	42	,	,	PUNCT
admet-794	140	43	using	use	VERB
admet-794	140	44	pdisol	pdisol	NOUN
admet-794	140	45	-	-	PUNCT
admet-794	140	46	x	x	SYM
admet-794	140	47	(	(	PUNCT
admet-794	140	48	in	in	ADP
admet-794	140	49	-	-	PUNCT
admet-794	140	50	adme	adme	NOUN
admet-794	140	51	research	research	NOUN
admet-794	140	52	)	)	PUNCT
admet-794	141	1	[	[	X
admet-794	141	2	56	56	NUM
admet-794	141	3	-	-	SYM
admet-794	141	4	61	61	NUM
admet-794	141	5	]	]	PUNCT
admet-794	141	6	,	,	PUNCT
admet-794	141	7	to	to	PART
admet-794	141	8	extract	extract	VERB
admet-794	141	9	intrinsic	intrinsic	ADJ
admet-794	141	10	solubility	solubility	NOUN
admet-794	141	11	(	(	PUNCT
admet-794	141	12	s0	s0	NOUN
admet-794	141	13	)	)	PUNCT
admet-794	141	14	values	value	NOUN
admet-794	141	15	from	from	ADP
admet-794	141	16	reported	report	VERB
admet-794	141	17	aqueous	aqueous	ADJ
admet-794	141	18	free	free	ADJ
admet-794	141	19	-	-	PUNCT
admet-794	141	20	acid	acid	NOUN
admet-794	141	21	/	/	SYM
admet-794	141	22	base	base	NOUN
admet-794	141	23	or	or	CCONJ
admet-794	141	24	salt	salt	NOUN
admet-794	141	25	solubilities	solubilitie	VERB
admet-794	141	26	https://cran.r-project.org/web/packages/pls/	https://cran.r-project.org/web/packages/pls/	PRON
admet-794	141	27	admet	admet	PROPN
admet-794	141	28	&	&	CCONJ
admet-794	141	29	dmpk	dmpk	PROPN
admet-794	141	30	8(3	8(3	NUM
admet-794	141	31	)	)	PUNCT
admet-794	141	32	(	(	PUNCT
admet-794	141	33	2020	2020	NUM
admet-794	141	34	)	)	PUNCT
admet-794	141	35	180	180	NUM
admet-794	141	36	-	-	SYM
admet-794	141	37	206	206	NUM
admet-794	141	38	can	can	AUX
admet-794	141	39	small	small	ADJ
admet-794	141	40	drugs	drug	NOUN
admet-794	141	41	predict	predict	VERB
admet-794	141	42	log	log	NOUN
admet-794	141	43	s0	s0	PROPN
admet-794	141	44	of	of	ADP
admet-794	141	45	‘	'	PUNCT
admet-794	141	46	beyond	beyond	ADP
admet-794	141	47	rule	rule	NOUN
admet-794	141	48	of	of	ADP
admet-794	141	49	5	5	NUM
admet-794	141	50	’	'	PUNCT
admet-794	141	51	big	big	ADJ
admet-794	141	52	drugs	drug	NOUN
admet-794	141	53	?	?	PUNCT
admet-794	142	1	doi	doi	NOUN
admet-794	142	2	:	:	PUNCT
admet-794	142	3	http://dx.doi.org/10.5599/admet.794	http://dx.doi.org/10.5599/admet.794	NOUN
admet-794	142	4	185	185	NUM
admet-794	142	5	(	(	PUNCT
admet-794	142	6	sw	sw	PROPN
admet-794	142	7	)	)	PUNCT
admet-794	142	8	,	,	PUNCT
admet-794	142	9	or	or	CCONJ
admet-794	142	10	solubilities	solubility	NOUN
admet-794	142	11	at	at	ADP
admet-794	142	12	specified	specified	ADJ
admet-794	142	13	ph	ph	PROPN
admet-794	142	14	(	(	PUNCT
admet-794	142	15	sph	sph	NOUN
admet-794	142	16	)	)	PUNCT
admet-794	142	17	,	,	PUNCT
admet-794	142	18	or	or	CCONJ
admet-794	142	19	log	log	VERB
admet-794	142	20	s	s	NOUN
admet-794	142	21	-	-	PUNCT
admet-794	142	22	ph	ph	ADJ
admet-794	142	23	profiles	profile	NOUN
admet-794	142	24	.	.	PUNCT
admet-794	143	1	all	all	PRON
admet-794	143	2	of	of	ADP
admet-794	143	3	the	the	DET
admet-794	143	4	molecules	molecule	NOUN
admet-794	143	5	are	be	AUX
admet-794	143	6	solids	solid	NOUN
admet-794	143	7	at	at	ADP
admet-794	143	8	room	room	NOUN
admet-794	143	9	temperature	temperature	NOUN
admet-794	143	10	(	(	PUNCT
admet-794	143	11	except	except	SCONJ
admet-794	143	12	propofol	propofol	NOUN
admet-794	143	13	)	)	PUNCT
admet-794	143	14	.	.	PUNCT
admet-794	144	1	there	there	PRON
admet-794	144	2	are	be	VERB
admet-794	144	3	1127	1127	NUM
admet-794	144	4	log	log	NOUN
admet-794	144	5	s0	s0	NOUN
admet-794	144	6	entries	entry	NOUN
admet-794	144	7	derived	derive	VERB
admet-794	144	8	from	from	ADP
admet-794	144	9	10167	10167	NUM
admet-794	144	10	individual	individual	ADJ
admet-794	144	11	-	-	PUNCT
admet-794	144	12	ph	ph	ADJ
admet-794	144	13	log	log	NOUN
admet-794	144	14	s	s	PART
admet-794	144	15	measurements	measurement	NOUN
admet-794	144	16	.	.	PUNCT
admet-794	145	1	about	about	ADV
admet-794	145	2	half	half	NOUN
admet-794	145	3	of	of	ADP
admet-794	145	4	the	the	DET
admet-794	145	5	data	datum	NOUN
admet-794	145	6	sources	source	NOUN
admet-794	145	7	originate	originate	VERB
admet-794	145	8	from	from	ADP
admet-794	145	9	secondary	secondary	ADJ
admet-794	145	10	listings	listing	NOUN
admet-794	145	11	and	and	CCONJ
admet-794	145	12	the	the	DET
admet-794	145	13	rest	rest	NOUN
admet-794	145	14	are	be	AUX
admet-794	145	15	from	from	ADP
admet-794	145	16	primary	primary	ADJ
admet-794	145	17	sources	source	NOUN
admet-794	145	18	.	.	PUNCT
admet-794	146	1	in	in	ADP
admet-794	146	2	the	the	DET
admet-794	146	3	case	case	NOUN
admet-794	146	4	of	of	ADP
admet-794	146	5	secondary	secondary	ADJ
admet-794	146	6	sources	source	NOUN
admet-794	146	7	,	,	PUNCT
admet-794	146	8	the	the	DET
admet-794	146	9	citations	citation	NOUN
admet-794	146	10	to	to	ADP
admet-794	146	11	the	the	DET
admet-794	146	12	original	original	ADJ
admet-794	146	13	work	work	NOUN
admet-794	146	14	were	be	AUX
admet-794	146	15	generally	generally	ADV
admet-794	146	16	available	available	ADJ
admet-794	146	17	,	,	PUNCT
admet-794	146	18	and	and	CCONJ
admet-794	146	19	in	in	ADP
admet-794	146	20	many	many	ADJ
admet-794	146	21	cases	case	NOUN
admet-794	146	22	were	be	AUX
admet-794	146	23	consulted	consult	VERB
admet-794	146	24	for	for	ADP
admet-794	146	25	clarifications	clarification	NOUN
admet-794	146	26	.	.	PUNCT
admet-794	147	1	melting	melt	VERB
admet-794	147	2	points	point	NOUN
admet-794	147	3	are	be	AUX
admet-794	147	4	included	include	VERB
admet-794	147	5	in	in	ADP
admet-794	147	6	the	the	DET
admet-794	147	7	database	database	NOUN
admet-794	147	8	.	.	PUNCT
admet-794	148	1	when	when	SCONJ
admet-794	148	2	measured	measure	VERB
admet-794	148	3	mp	mp	PROPN
admet-794	148	4	were	be	AUX
admet-794	148	5	not	not	PART
admet-794	148	6	found	find	VERB
admet-794	148	7	(	(	PUNCT
admet-794	148	8	19	19	NUM
admet-794	148	9	%	%	NOUN
admet-794	148	10	of	of	ADP
admet-794	148	11	entries	entry	NOUN
admet-794	148	12	)	)	PUNCT
admet-794	148	13	,	,	PUNCT
admet-794	148	14	mp	mp	PROPN
admet-794	148	15	were	be	AUX
admet-794	148	16	calculated	calculate	VERB
admet-794	148	17	by	by	ADP
admet-794	148	18	the	the	DET
admet-794	148	19	lang	lang	PROPN
admet-794	148	20	and	and	CCONJ
admet-794	148	21	bradley	bradley	PROPN
admet-794	148	22	method	method	NOUN
admet-794	148	23	[	[	X
admet-794	148	24	40	40	NUM
admet-794	148	25	]	]	PUNCT
admet-794	148	26	in	in	ADP
admet-794	148	27	the	the	DET
admet-794	148	28	qsardb	qsardb	NOUN
admet-794	148	29	open	open	ADJ
admet-794	148	30	repository	repository	NOUN
admet-794	148	31	of	of	ADP
admet-794	148	32	data	datum	NOUN
admet-794	148	33	and	and	CCONJ
admet-794	148	34	prediction	prediction	NOUN
admet-794	148	35	programs	program	NOUN
admet-794	148	36	(	(	PUNCT
admet-794	148	37	http://qsardb.org/repository/predictor/10967/104?model=rf	http://qsardb.org/repository/predictor/10967/104?model=rf	PROPN
admet-794	148	38	)	)	PUNCT
admet-794	148	39	.	.	PUNCT
admet-794	149	1	physicochemical	physicochemical	ADJ
admet-794	149	2	properties	property	NOUN
admet-794	149	3	of	of	ADP
admet-794	149	4	the	the	DET
admet-794	149	5	big	big	ADJ
admet-794	149	6	molecules	molecule	NOUN
admet-794	149	7	in	in	ADP
admet-794	149	8	this	this	DET
admet-794	149	9	study	study	NOUN
admet-794	149	10	,	,	PUNCT
admet-794	149	11	the	the	DET
admet-794	149	12	compounds	compound	NOUN
admet-794	149	13	in	in	ADP
admet-794	149	14	wiki	wiki	NOUN
admet-794	149	15	-	-	PUNCT
admet-794	149	16	ps0	ps0	PROPN
admet-794	149	17	were	be	AUX
admet-794	149	18	divided	divide	VERB
admet-794	149	19	into	into	ADP
admet-794	149	20	two	two	NUM
admet-794	149	21	groups	group	NOUN
admet-794	149	22	:	:	PUNCT
admet-794	149	23	‘	'	PUNCT
admet-794	149	24	big	big	ADJ
admet-794	149	25	’	'	PUNCT
admet-794	149	26	(	(	PUNCT
admet-794	149	27	mw	mw	X
admet-794	149	28	≥	≥	PROPN
admet-794	149	29	800	800	NUM
admet-794	149	30	da	da	NOUN
admet-794	149	31	,	,	PUNCT
admet-794	149	32	structures	structure	NOUN
admet-794	149	33	in	in	ADP
admet-794	149	34	appendix	appendix	NOUN
admet-794	149	35	)	)	PUNCT
admet-794	149	36	and	and	CCONJ
admet-794	149	37	‘	'	PUNCT
admet-794	149	38	small	small	ADJ
admet-794	149	39	’	'	PUNCT
admet-794	149	40	molecules	molecule	NOUN
admet-794	149	41	.	.	PUNCT
admet-794	150	1	the	the	DET
admet-794	150	2	demarcation	demarcation	NOUN
admet-794	150	3	was	be	AUX
admet-794	150	4	motivated	motivate	VERB
admet-794	150	5	by	by	ADP
admet-794	150	6	the	the	DET
admet-794	150	7	shape	shape	NOUN
admet-794	150	8	of	of	ADP
admet-794	150	9	the	the	DET
admet-794	150	10	principle	principle	ADJ
admet-794	150	11	components	component	NOUN
admet-794	150	12	scores	score	NOUN
admet-794	150	13	plot	plot	NOUN
admet-794	150	14	(	(	PUNCT
admet-794	150	15	fig	fig	NOUN
admet-794	150	16	.	.	PUNCT
admet-794	151	1	10	10	NUM
admet-794	151	2	in	in	ADP
admet-794	151	3	[	[	X
admet-794	151	4	20	20	NUM
admet-794	151	5	]	]	NUM
admet-794	151	6	)	)	PUNCT
admet-794	151	7	.	.	PUNCT
admet-794	152	1	there	there	PRON
admet-794	152	2	are	be	VERB
admet-794	152	3	31	31	NUM
admet-794	152	4	molecules	molecule	NOUN
admet-794	152	5	(	(	PUNCT
admet-794	152	6	58	58	NUM
admet-794	152	7	log	log	NOUN
admet-794	152	8	s0	s0	NOUN
admet-794	152	9	entries	entry	NOUN
admet-794	152	10	)	)	PUNCT
admet-794	152	11	in	in	ADP
admet-794	152	12	the	the	DET
admet-794	152	13	‘	'	PUNCT
admet-794	152	14	big	big	ADJ
admet-794	152	15	’	'	PUNCT
admet-794	152	16	set	set	NOUN
admet-794	152	17	.	.	PUNCT
admet-794	152	18	table	table	NOUN
admet-794	152	19	1	1	NUM
admet-794	152	20	lists	list	VERB
admet-794	152	21	their	their	PRON
admet-794	152	22	characteristic	characteristic	ADJ
admet-794	152	23	properties	property	NOUN
admet-794	152	24	.	.	PUNCT
admet-794	153	1	figure	figure	NOUN
admet-794	153	2	1	1	NUM
admet-794	153	3	shows	show	VERB
admet-794	153	4	the	the	DET
admet-794	153	5	distribution	distribution	NOUN
admet-794	153	6	of	of	ADP
admet-794	153	7	big	big	ADJ
admet-794	153	8	-	-	PUNCT
admet-794	153	9	molecule	molecule	NOUN
admet-794	153	10	log	log	NOUN
admet-794	153	11	s0	s0	NOUN
admet-794	153	12	values	value	NOUN
admet-794	153	13	.	.	PUNCT
admet-794	154	1	on	on	ADP
admet-794	154	2	the	the	DET
admet-794	154	3	average	average	NOUN
admet-794	154	4	,	,	PUNCT
admet-794	154	5	the	the	DET
admet-794	154	6	big	big	ADJ
admet-794	154	7	molecules	molecule	NOUN
admet-794	154	8	are	be	AUX
admet-794	154	9	less	less	ADV
admet-794	154	10	soluble	soluble	ADJ
admet-794	154	11	(	(	PUNCT
admet-794	154	12	-4.52	-4.52	NOUN
admet-794	154	13	)	)	PUNCT
admet-794	154	14	than	than	ADP
admet-794	154	15	the	the	DET
admet-794	154	16	small	small	ADJ
admet-794	154	17	molecules	molecule	NOUN
admet-794	154	18	(	(	PUNCT
admet-794	154	19	-3.12	-3.12	NUM
admet-794	154	20	)	)	PUNCT
admet-794	154	21	.	.	PUNCT
admet-794	155	1	table	table	NOUN
admet-794	155	2	1	1	NUM
admet-794	155	3	.	.	PUNCT
admet-794	156	1	big	big	ADJ
admet-794	156	2	-	-	PUNCT
admet-794	156	3	molecule	molecule	NOUN
admet-794	156	4	(	(	PUNCT
admet-794	156	5	bro5	bro5	NOUN
admet-794	156	6	)	)	PUNCT
admet-794	156	7	physicochemical	physicochemical	ADJ
admet-794	156	8	properties	property	NOUN
admet-794	156	9	compound	compound	VERB
admet-794	156	10	log	log	NOUN
admet-794	156	11	s0	s0	PROPN
admet-794	156	12	sd	sd	ADP
admet-794	156	13	n	n	PROPN
admet-794	156	14	mw	mw	PROPN
admet-794	156	15	mp	mp	PROPN
admet-794	156	16	clogp	clogp	NOUN
admet-794	156	17	δh	δh	ADP
admet-794	156	18	0	0	NUM
admet-794	156	19	sol	sol	PROPN
admet-794	156	20	nha	nha	X
admet-794	156	21	nhd	nhd	PROPN
admet-794	156	22	nrot	nrot	PROPN
admet-794	156	23	a	a	DET
admet-794	156	24	b	b	NOUN
admet-794	156	25	sπ	sπ	NOUN
admet-794	156	26	e	e	PROPN
admet-794	156	27	v	v	NOUN
admet-794	156	28	ref	ref	NOUN
admet-794	156	29	amphotericin	amphotericin	ADP
admet-794	156	30	b	b	NOUN
admet-794	156	31	-3.52	-3.52	NOUN
admet-794	156	32	0.69	0.69	NUM
admet-794	156	33	2	2	NUM
admet-794	156	34	924	924	NUM
admet-794	156	35	179	179	NUM
admet-794	156	36	0.71	0.71	NUM
admet-794	156	37	-33	-33	NUM
admet-794	156	38	17	17	NUM
admet-794	156	39	12	12	NUM
admet-794	156	40	3	3	NUM
admet-794	156	41	3.55	3.55	NUM
admet-794	156	42	5.99	5.99	NUM
admet-794	156	43	5.12	5.12	NUM
admet-794	156	44	4.47	4.47	NUM
admet-794	156	45	7.12	7.12	NUM
admet-794	156	46	[	[	X
admet-794	156	47	63,64	63,64	NUM
admet-794	156	48	]	]	X
admet-794	156	49	anidulafungin	anidulafungin	NOUN
admet-794	156	50	-4.36	-4.36	NUM
admet-794	156	51	0.45	0.45	NUM
admet-794	156	52	1140	1140	NUM
admet-794	156	53	250	250	NUM
admet-794	156	54	-0.93	-0.93	NUM
admet-794	156	55	0	0	NUM
admet-794	156	56	17	17	NUM
admet-794	156	57	14	14	NUM
admet-794	156	58	14	14	NUM
admet-794	156	59	3.67	3.67	NUM
admet-794	156	60	8.22	8.22	NUM
admet-794	156	61	10.4	10.4	NUM
admet-794	156	62	7.8	7.8	NUM
admet-794	156	63	8.4	8.4	NUM
admet-794	156	64	[	[	X
admet-794	156	65	63	63	NUM
admet-794	156	66	]	]	PUNCT
admet-794	156	67	bryamycin	bryamycin	NOUN
admet-794	156	68	-4.14	-4.14	NUM
admet-794	156	69	0.29	0.29	NUM
admet-794	156	70	3	3	NUM
admet-794	156	71	1665	1665	NUM
admet-794	156	72	210	210	NUM
admet-794	156	73	0.77	0.77	NUM
admet-794	156	74	-16	-16	SYM
admet-794	156	75	31	31	NUM
admet-794	156	76	17	17	NUM
admet-794	156	77	12	12	NUM
admet-794	156	78	4.47	4.47	NUM
admet-794	156	79	11.56	11.56	NUM
admet-794	156	80	14.55	14.55	NUM
admet-794	156	81	10.51	10.51	NUM
admet-794	156	82	11.65	11.65	NUM
admet-794	156	83	[	[	PUNCT
admet-794	156	84	64	64	NUM
admet-794	156	85	-	-	SYM
admet-794	156	86	66	66	NUM
admet-794	156	87	]	]	PUNCT
admet-794	156	88	cyclosporine	cyclosporine	VERB
admet-794	156	89	a	a	DET
admet-794	156	90	-5.03	-5.03	NUM
admet-794	156	91	0.16	0.16	NUM
admet-794	156	92	6	6	NUM
admet-794	156	93	1203	1203	NUM
admet-794	156	94	151	151	NUM
admet-794	156	95	3.27	3.27	NUM
admet-794	156	96	-40	-40	NUM
admet-794	156	97	12	12	NUM
admet-794	156	98	5	5	NUM
admet-794	156	99	15	15	NUM
admet-794	156	100	1.25	1.25	NUM
admet-794	156	101	7.61	7.61	NUM
admet-794	156	102	10.16	10.16	NUM
admet-794	156	103	4.23	4.23	NUM
admet-794	156	104	10.02	10.02	NUM
admet-794	156	105	[	[	X
admet-794	156	106	63,67	63,67	NOUN
admet-794	156	107	-	-	SYM
admet-794	156	108	69	69	NUM
admet-794	156	109	]	]	PUNCT
admet-794	156	110	dactinomycin	dactinomycin	VERB
admet-794	156	111	-3.22	-3.22	NUM
admet-794	156	112	0.16	0.16	NUM
admet-794	156	113	2	2	NUM
admet-794	156	114	1255	1255	NUM
admet-794	156	115	242	242	NUM
admet-794	156	116	0.73	0.73	NUM
admet-794	156	117	-10	-10	SYM
admet-794	156	118	18	18	NUM
admet-794	156	119	5	5	NUM
admet-794	156	120	8	8	NUM
admet-794	156	121	1.36	1.36	NUM
admet-794	156	122	8.49	8.49	NUM
admet-794	156	123	11.45	11.45	NUM
admet-794	156	124	6.12	6.12	NUM
admet-794	156	125	9.49	9.49	NUM
admet-794	156	126	[	[	X
admet-794	156	127	70	70	NUM
admet-794	156	128	]	]	PUNCT
admet-794	156	129	docetaxel	docetaxel	NOUN
admet-794	156	130	-5.14	-5.14	PROPN
admet-794	156	131	0.05	0.05	NUM
admet-794	156	132	2	2	NUM
admet-794	156	133	808	808	NUM
admet-794	156	134	232	232	NUM
admet-794	156	135	3.26	3.26	NUM
admet-794	156	136	-12	-12	NUM
admet-794	156	137	14	14	NUM
admet-794	156	138	5	5	NUM
admet-794	156	139	8	8	NUM
admet-794	156	140	1.03	1.03	NUM
admet-794	156	141	4.01	4.01	NUM
admet-794	156	142	4.18	4.18	NUM
admet-794	156	143	3.47	3.47	NUM
admet-794	156	144	5.92	5.92	NUM
admet-794	156	145	[	[	X
admet-794	156	146	63,71	63,71	NUM
admet-794	156	147	]	]	X
admet-794	156	148	everolimus	everolimus	NOUN
admet-794	156	149	-5.02	-5.02	NUM
admet-794	156	150	0.58	0.58	NUM
admet-794	156	151	958	958	NUM
admet-794	156	152	138	138	NUM
admet-794	156	153	6.20	6.20	NUM
admet-794	156	154	-36	-36	SYM
admet-794	156	155	14	14	NUM
admet-794	156	156	3	3	NUM
admet-794	156	157	9	9	NUM
admet-794	156	158	0.63	0.63	NUM
admet-794	156	159	4.73	4.73	NUM
admet-794	156	160	4.73	4.73	NUM
admet-794	156	161	3.29	3.29	NUM
admet-794	156	162	7.68	7.68	NUM
admet-794	157	1	[	[	X
admet-794	157	2	63,72	63,72	NOUN
admet-794	157	3	]	]	PUNCT
admet-794	157	4	gramicidin	gramicidin	VERB
admet-794	157	5	a	a	DET
admet-794	157	6	-4.16	-4.16	PROPN
admet-794	157	7	0.41	0.41	NUM
admet-794	157	8	1882	1882	NUM
admet-794	157	9	229	229	NUM
admet-794	157	10	4.37	4.37	NUM
admet-794	157	11	-31	-31	NUM
admet-794	157	12	17	17	NUM
admet-794	157	13	21	21	NUM
admet-794	157	14	53	53	NUM
admet-794	157	15	5.57	5.57	NUM
admet-794	157	16	11.3	11.3	NUM
admet-794	157	17	17.8	17.8	NUM
admet-794	157	18	10.26	10.26	NUM
admet-794	157	19	14.81	14.81	NUM
admet-794	157	20	[	[	X
admet-794	157	21	73	73	NUM
admet-794	157	22	]	]	PUNCT
admet-794	157	23	gramicidin	gramicidin	VERB
admet-794	157	24	s	s	ADP
admet-794	157	25	-3.89	-3.89	NOUN
admet-794	157	26	0.35	0.35	NUM
admet-794	157	27	1141	1141	NUM
admet-794	157	28	169	169	NUM
admet-794	157	29	1.23	1.23	NUM
admet-794	157	30	-14	-14	NUM
admet-794	157	31	12	12	NUM
admet-794	157	32	10	10	NUM
admet-794	157	33	16	16	NUM
admet-794	157	34	2.46	2.46	NUM
admet-794	157	35	7.42	7.42	NUM
admet-794	157	36	10.69	10.69	NUM
admet-794	157	37	5.38	5.38	NUM
admet-794	157	38	9.12	9.12	NUM
admet-794	158	1	[	[	X
admet-794	158	2	64	64	NUM
admet-794	158	3	]	]	PUNCT
admet-794	158	4	iodipamide	iodipamide	ADV
admet-794	158	5	-5.47	-5.47	NUM
admet-794	158	6	0.67	0.67	NUM
admet-794	158	7	1140	1140	NUM
admet-794	158	8	307	307	NUM
admet-794	158	9	6.85	6.85	NUM
admet-794	158	10	45	45	NUM
admet-794	158	11	4	4	NUM
admet-794	158	12	4	4	NUM
admet-794	158	13	9	9	NUM
admet-794	158	14	2.25	2.25	NUM
admet-794	158	15	1.87	1.87	NUM
admet-794	158	16	4.84	4.84	NUM
admet-794	158	17	5.86	5.86	NUM
admet-794	158	18	4.38	4.38	NUM
admet-794	158	19	[	[	X
admet-794	158	20	50	50	NUM
admet-794	158	21	]	]	PUNCT
admet-794	158	22	iodoxamic	iodoxamic	ADJ
admet-794	158	23	acid	acid	NOUN
admet-794	158	24	-5.49	-5.49	AUX
admet-794	158	25	0.36	0.36	NUM
admet-794	158	26	1288	1288	NUM
admet-794	158	27	224	224	NUM
admet-794	158	28	6.13	6.13	NUM
admet-794	158	29	35	35	NUM
admet-794	158	30	8	8	NUM
admet-794	158	31	4	4	NUM
admet-794	158	32	19	19	NUM
admet-794	158	33	2.25	2.25	NUM
admet-794	158	34	2.73	2.73	NUM
admet-794	158	35	5.48	5.48	NUM
admet-794	158	36	6.01	6.01	NUM
admet-794	158	37	5.46	5.46	NUM
admet-794	158	38	[	[	X
admet-794	158	39	74	74	NUM
admet-794	158	40	]	]	PUNCT
admet-794	158	41	ivermectin	ivermectin	NOUN
admet-794	158	42	-5.56	-5.56	VERB
admet-794	158	43	0.39	0.39	NUM
admet-794	158	44	5	5	NUM
admet-794	158	45	875	875	NUM
admet-794	158	46	140	140	NUM
admet-794	158	47	5.60	5.60	NUM
admet-794	158	48	-33	-33	NUM
admet-794	158	49	14	14	NUM
admet-794	158	50	3	3	NUM
admet-794	158	51	8	8	NUM
admet-794	158	52	0.68	0.68	NUM
admet-794	158	53	4.23	4.23	NUM
admet-794	158	54	3.21	3.21	NUM
admet-794	158	55	3.24	3.24	NUM
admet-794	158	56	6.72	6.72	NUM
admet-794	159	1	[	[	X
admet-794	159	2	72,75	72,75	NUM
admet-794	159	3	-	-	SYM
admet-794	159	4	78	78	NUM
admet-794	159	5	]	]	PUNCT
admet-794	159	6	leuprolide	leuprolide	NOUN
admet-794	159	7	-3.15	-3.15	NOUN
admet-794	159	8	0.20	0.20	NUM
admet-794	159	9	1209	1209	NUM
admet-794	159	10	153	153	NUM
admet-794	159	11	-1.44	-1.44	NUM
admet-794	159	12	-11	-11	SYM
admet-794	159	13	14	14	NUM
admet-794	159	14	15	15	NUM
admet-794	159	15	32	32	NUM
admet-794	159	16	4.25	4.25	NUM
admet-794	159	17	8.66	8.66	NUM
admet-794	159	18	11.75	11.75	NUM
admet-794	159	19	7.23	7.23	NUM
admet-794	159	20	9.21	9.21	NUM
admet-794	159	21	[	[	SYM
admet-794	159	22	63	63	NUM
admet-794	159	23	]	]	PUNCT
admet-794	159	24	nafarelin	nafarelin	NOUN
admet-794	159	25	-5.61	-5.61	NUM
admet-794	159	26	0.52	0.52	NUM
admet-794	159	27	1323	1323	NUM
admet-794	159	28	189	189	NUM
admet-794	159	29	-1.62	-1.62	ADJ
admet-794	159	30	2	2	NUM
admet-794	159	31	15	15	NUM
admet-794	159	32	16	16	NUM
admet-794	159	33	33	33	NUM
admet-794	159	34	4.74	4.74	NUM
admet-794	159	35	9.32	9.32	NUM
admet-794	159	36	13.46	13.46	NUM
admet-794	159	37	8.93	8.93	NUM
admet-794	159	38	9.88	9.88	NUM
admet-794	160	1	[	[	X
admet-794	160	2	79	79	NUM
admet-794	160	3	]	]	PUNCT
admet-794	160	4	nystatin	nystatin	NOUN
admet-794	160	5	-4.1	-4.1	PUNCT
admet-794	160	6	0.39	0.39	NUM
admet-794	160	7	926	926	NUM
admet-794	160	8	170	170	NUM
admet-794	160	9	0.94	0.94	NUM
admet-794	160	10	-35	-35	NUM
admet-794	160	11	17	17	NUM
admet-794	160	12	12	12	NUM
admet-794	160	13	3	3	NUM
admet-794	160	14	3.55	3.55	NUM
admet-794	160	15	5.93	5.93	NUM
admet-794	160	16	5.02	5.02	NUM
admet-794	160	17	4.32	4.32	NUM
admet-794	160	18	7.16	7.16	NUM
admet-794	160	19	[	[	X
admet-794	160	20	80	80	NUM
admet-794	160	21	]	]	X
admet-794	160	22	oxytocin	oxytocin	PROPN
admet-794	160	23	-1.2	-1.2	PROPN
admet-794	160	24	0.17	0.17	NUM
admet-794	160	25	1007	1007	NUM
admet-794	160	26	164	164	NUM
admet-794	160	27	-3.61	-3.61	NOUN
admet-794	160	28	2	2	NUM
admet-794	160	29	15	15	NUM
admet-794	160	30	12	12	NUM
admet-794	160	31	17	17	NUM
admet-794	160	32	3.96	3.96	NUM
admet-794	160	33	7.67	7.67	NUM
admet-794	160	34	11.34	11.34	NUM
admet-794	160	35	5.9	5.9	NUM
admet-794	160	36	7.47	7.47	NUM
admet-794	160	37	[	[	X
admet-794	160	38	81	81	NUM
admet-794	160	39	]	]	PUNCT
admet-794	160	40	paclitaxel	paclitaxel	X
admet-794	160	41	-6.53	-6.53	VERB
admet-794	160	42	0.14	0.14	NUM
admet-794	160	43	2	2	NUM
admet-794	160	44	854	854	NUM
admet-794	160	45	216	216	NUM
admet-794	160	46	3.74	3.74	NUM
admet-794	160	47	-3	-3	SYM
admet-794	160	48	14	14	NUM
admet-794	160	49	4	4	NUM
admet-794	160	50	10	10	NUM
admet-794	160	51	0.9	0.9	NUM
admet-794	160	52	4.13	4.13	NUM
admet-794	160	53	5.22	5.22	NUM
admet-794	160	54	4.05	4.05	NUM
admet-794	160	55	6.2	6.2	NUM
admet-794	160	56	[	[	X
admet-794	160	57	82,83	82,83	NUM
admet-794	160	58	]	]	PUNCT
admet-794	160	59	paclitaxel	paclitaxel	PROPN
admet-794	160	60	analog12	analog12	VERB
admet-794	160	61	-5.48	-5.48	PROPN
admet-794	160	62	0.67	0.67	NUM
admet-794	160	63	808	808	NUM
admet-794	160	64	187	187	NUM
admet-794	160	65	3.20	3.20	NUM
admet-794	160	66	-14	-14	NUM
admet-794	160	67	14	14	NUM
admet-794	160	68	5	5	NUM
admet-794	160	69	8	8	NUM
admet-794	160	70	1.03	1.03	NUM
admet-794	160	71	4.01	4.01	NUM
admet-794	160	72	4.18	4.18	NUM
admet-794	160	73	3.47	3.47	NUM
admet-794	160	74	5.92	5.92	NUM
admet-794	160	75	[	[	X
admet-794	160	76	71	71	NUM
admet-794	160	77	]	]	PUNCT
admet-794	160	78	paclitaxel	paclitaxel	PROPN
admet-794	160	79	analog17	analog17	NOUN
admet-794	160	80	-4.52	-4.52	PROPN
admet-794	160	81	0.48	0.48	NUM
admet-794	160	82	802	802	NUM
admet-794	160	83	179	179	NUM
admet-794	160	84	3.32	3.32	NUM
admet-794	160	85	-24	-24	NUM
admet-794	160	86	14	14	NUM
admet-794	160	87	5	5	NUM
admet-794	160	88	9	9	NUM
admet-794	160	89	1.03	1.03	NUM
admet-794	160	90	3.97	3.97	NUM
admet-794	160	91	3.67	3.67	NUM
admet-794	160	92	2.87	2.87	NUM
admet-794	160	93	6.02	6.02	NUM
admet-794	161	1	[	[	X
admet-794	161	2	71	71	NUM
admet-794	161	3	]	]	PUNCT
admet-794	161	4	paclitaxel	paclitaxel	VERB
admet-794	161	5	analog23	analog23	NOUN
admet-794	161	6	-5.78	-5.78	NUM
admet-794	161	7	0.73	0.73	NUM
admet-794	161	8	807	807	NUM
admet-794	161	9	187	187	NUM
admet-794	161	10	3.23	3.23	NUM
admet-794	161	11	-13	-13	SYM
admet-794	161	12	13	13	NUM
admet-794	161	13	6	6	NUM
admet-794	161	14	8	8	NUM
admet-794	161	15	1.33	1.33	NUM
admet-794	161	16	4.15	4.15	NUM
admet-794	161	17	4.31	4.31	NUM
admet-794	161	18	3.63	3.63	NUM
admet-794	161	19	5.96	5.96	NUM
admet-794	161	20	[	[	X
admet-794	161	21	71	71	NUM
admet-794	161	22	]	]	PUNCT
admet-794	161	23	rapamycin	rapamycin	NOUN
admet-794	161	24	-5.55	-5.55	NUM
admet-794	161	25	0.69	0.69	NUM
admet-794	161	26	914	914	NUM
admet-794	161	27	184	184	NUM
admet-794	161	28	6.18	6.18	NUM
admet-794	161	29	-30	-30	NUM
admet-794	161	30	13	13	NUM
admet-794	161	31	3	3	NUM
admet-794	161	32	6	6	NUM
admet-794	161	33	0.63	0.63	NUM
admet-794	161	34	4.51	4.51	NUM
admet-794	161	35	4.57	4.57	NUM
admet-794	161	36	3.26	3.26	NUM
admet-794	161	37	7.34	7.34	NUM
admet-794	161	38	[	[	SYM
admet-794	161	39	84	84	NUM
admet-794	161	40	]	]	PUNCT
admet-794	161	41	rifabutin	rifabutin	NOUN
admet-794	161	42	-4.09	-4.09	PROPN
admet-794	161	43	0.66	0.66	NUM
admet-794	161	44	3	3	NUM
admet-794	161	45	847	847	NUM
admet-794	161	46	176	176	NUM
admet-794	161	47	4.62	4.62	NUM
admet-794	161	48	-9	-9	NUM
admet-794	161	49	14	14	NUM
admet-794	161	50	5	5	NUM
admet-794	161	51	4	4	NUM
admet-794	161	52	1.31	1.31	NUM
admet-794	161	53	4.39	4.39	NUM
admet-794	161	54	4.43	4.43	NUM
admet-794	161	55	4.24	4.24	NUM
admet-794	161	56	6.47	6.47	NUM
admet-794	162	1	[	[	X
admet-794	162	2	63,85,86	63,85,86	NUM
admet-794	162	3	]	]	X
admet-794	162	4	rifampicin	rifampicin	VERB
admet-794	162	5	-2.96	-2.96	NOUN
admet-794	162	6	0.27	0.27	NUM
admet-794	162	7	9	9	NUM
admet-794	162	8	823	823	NUM
admet-794	162	9	164	164	NUM
admet-794	162	10	4.34	4.34	NUM
admet-794	162	11	-6	-6	NOUN
admet-794	162	12	15	15	NUM
admet-794	162	13	6	6	NUM
admet-794	162	14	4	4	NUM
admet-794	162	15	2.55	2.55	NUM
admet-794	162	16	4.66	4.66	NUM
admet-794	162	17	4.67	4.67	NUM
admet-794	162	18	4.73	4.73	NUM
admet-794	162	19	6.21	6.21	NUM
admet-794	163	1	[	[	PUNCT
admet-794	163	2	87	87	NUM
admet-794	163	3	-	-	SYM
admet-794	163	4	91	91	NUM
admet-794	163	5	]	]	PUNCT
admet-794	163	6	roxithromycin	roxithromycin	NOUN
admet-794	163	7	-3.98	-3.98	NUM
admet-794	163	8	0.37	0.37	NUM
admet-794	163	9	837	837	NUM
admet-794	163	10	120	120	NUM
admet-794	163	11	2.21	2.21	NUM
admet-794	163	12	-47	-47	SYM
admet-794	163	13	17	17	NUM
admet-794	163	14	5	5	NUM
admet-794	163	15	13	13	NUM
admet-794	163	16	1.05	1.05	NUM
admet-794	163	17	5.12	5.12	NUM
admet-794	163	18	2.9	2.9	NUM
admet-794	163	19	2.58	2.58	NUM
admet-794	163	20	6.55	6.55	NUM
admet-794	163	21	[	[	PUNCT
admet-794	163	22	63	63	NUM
admet-794	163	23	]	]	PUNCT
admet-794	163	24	solithromycin	solithromycin	NOUN
admet-794	163	25	-6.23	-6.23	VERB
admet-794	163	26	0.14	0.14	NUM
admet-794	163	27	845	845	NUM
admet-794	163	28	189	189	NUM
admet-794	163	29	4.60	4.60	NUM
admet-794	163	30	-12	-12	NUM
admet-794	163	31	15	15	NUM
admet-794	163	32	2	2	NUM
admet-794	163	33	11	11	NUM
admet-794	163	34	0.35	0.35	NUM
admet-794	163	35	4.46	4.46	NUM
admet-794	163	36	4.7	4.7	NUM
admet-794	163	37	3.67	3.67	NUM
admet-794	163	38	6.44	6.44	NUM
admet-794	163	39	[	[	SYM
admet-794	163	40	92	92	NUM
admet-794	163	41	]	]	PUNCT
admet-794	163	42	stevioside	stevioside	VERB
admet-794	163	43	-2.83	-2.83	ADV
admet-794	163	44	0.17	0.17	NUM
admet-794	163	45	805	805	NUM
admet-794	163	46	198	198	NUM
admet-794	163	47	-2.94	-2.94	NOUN
admet-794	163	48	-21	-21	NUM
admet-794	163	49	18	18	NUM
admet-794	163	50	11	11	NUM
admet-794	163	51	9	9	NUM
admet-794	163	52	2.74	2.74	NUM
admet-794	163	53	5.49	5.49	NUM
admet-794	163	54	4.29	4.29	NUM
admet-794	163	55	4.25	4.25	NUM
admet-794	163	56	5.67	5.67	NUM
admet-794	163	57	[	[	X
admet-794	163	58	93	93	NUM
admet-794	163	59	]	]	PUNCT
admet-794	163	60	tacrolimus	tacrolimus	NOUN
admet-794	163	61	-5.42	-5.42	NUM
admet-794	163	62	0.54	0.54	NUM
admet-794	163	63	2	2	NUM
admet-794	163	64	804	804	NUM
admet-794	163	65	126	126	NUM
admet-794	163	66	4.64	4.64	NUM
admet-794	163	67	-27	-27	NUM
admet-794	163	68	12	12	NUM
admet-794	163	69	3	3	NUM
admet-794	163	70	7	7	NUM
admet-794	163	71	0.71	0.71	NUM
admet-794	163	72	3.98	3.98	NUM
admet-794	163	73	3.98	3.98	NUM
admet-794	163	74	2.82	2.82	NUM
admet-794	163	75	6.38	6.38	NUM
admet-794	164	1	[	[	X
admet-794	164	2	63,94	63,94	X
admet-794	164	3	]	]	X
admet-794	164	4	telithromycin	telithromycin	PROPN
admet-794	164	5	-3.02	-3.02	NUM
admet-794	164	6	0.17	0.17	NUM
admet-794	164	7	812	812	NUM
admet-794	164	8	188	188	NUM
admet-794	164	9	4.93	4.93	NUM
admet-794	164	10	-13	-13	SYM
admet-794	164	11	14	14	NUM
admet-794	164	12	1	1	NUM
admet-794	164	13	11	11	NUM
admet-794	164	14	0.12	0.12	NUM
admet-794	164	15	4.40	4.40	NUM
admet-794	164	16	4.53	4.53	NUM
admet-794	164	17	3.49	3.49	NUM
admet-794	164	18	6.32	6.32	NUM
admet-794	164	19	[	[	PUNCT
admet-794	164	20	63	63	NUM
admet-794	164	21	]	]	SYM
admet-794	164	22	temsirolimus	temsirolimus	NOUN
admet-794	164	23	-5.06	-5.06	NUM
admet-794	164	24	0.59	0.59	NUM
admet-794	164	25	1030	1030	NUM
admet-794	164	26	134	134	NUM
admet-794	164	27	5.72	5.72	NUM
admet-794	164	28	-39	-39	NUM
admet-794	164	29	16	16	NUM
admet-794	164	30	4	4	NUM
admet-794	164	31	10	10	NUM
admet-794	164	32	1.02	1.02	NUM
admet-794	164	33	5.07	5.07	NUM
admet-794	164	34	5.25	5.25	NUM
admet-794	164	35	3.46	3.46	NUM
admet-794	164	36	8.17	8.17	NUM
admet-794	164	37	[	[	PUNCT
admet-794	164	38	63	63	NUM
admet-794	164	39	]	]	X
admet-794	164	40	ubiquinone	ubiquinone	PROPN
admet-794	164	41	-7.56	-7.56	NUM
admet-794	164	42	1.65	1.65	NUM
admet-794	164	43	2	2	NUM
admet-794	164	44	863	863	NUM
admet-794	164	45	48	48	NUM
admet-794	164	46	17.85	17.85	NUM
admet-794	164	47	-53	-53	NUM
admet-794	164	48	4	4	NUM
admet-794	164	49	0	0	NUM
admet-794	164	50	31	31	NUM
admet-794	164	51	0.00	0.00	NUM
admet-794	164	52	2.20	2.20	NUM
admet-794	164	53	1.16	1.16	NUM
admet-794	164	54	2.15	2.15	NUM
admet-794	164	55	7.95	7.95	NUM
admet-794	165	1	[	[	X
admet-794	165	2	95,96	95,96	NOUN
admet-794	165	3	]	]	X
admet-794	165	4	vancomycin	vancomycin	PROPN
admet-794	165	5	-2.13	-2.13	ADP
admet-794	165	6	0.14	0.14	NUM
admet-794	165	7	1449	1449	NUM
admet-794	165	8	175	175	NUM
admet-794	165	9	0.11	0.11	NUM
admet-794	165	10	-22	-22	NUM
admet-794	165	11	25	25	NUM
admet-794	165	12	19	19	NUM
admet-794	165	13	13	13	NUM
admet-794	165	14	5.81	5.81	NUM
admet-794	165	15	10.56	10.56	NUM
admet-794	165	16	12.32	12.32	NUM
admet-794	165	17	9.73	9.73	NUM
admet-794	165	18	9.88	9.88	NUM
admet-794	166	1	[	[	X
admet-794	166	2	97	97	NUM
admet-794	166	3	]	]	PUNCT
admet-794	166	4	a	a	DET
admet-794	166	5	log	log	NOUN
admet-794	166	6	s0	s0	NOUN
admet-794	166	7	averaged	average	VERB
admet-794	166	8	for	for	ADP
admet-794	166	9	n	n	PROPN
admet-794	166	10	>	>	SYM
admet-794	166	11	1	1	NUM
admet-794	166	12	sources	source	NOUN
admet-794	166	13	(	(	PUNCT
admet-794	166	14	references	reference	NOUN
admet-794	166	15	in	in	ADP
admet-794	166	16	last	last	ADJ
admet-794	166	17	column	column	NOUN
admet-794	166	18	)	)	PUNCT
admet-794	166	19	.	.	PUNCT
admet-794	167	1	sd	sd	NOUN
admet-794	167	2	is	be	AUX
admet-794	167	3	the	the	DET
admet-794	167	4	estimated	estimate	VERB
admet-794	167	5	standard	standard	ADJ
admet-794	167	6	deviation	deviation	NOUN
admet-794	167	7	in	in	ADP
admet-794	167	8	the	the	DET
admet-794	167	9	measured	measure	VERB
admet-794	167	10	value	value	NOUN
admet-794	167	11	.	.	PUNCT
admet-794	168	1	δh	δh	ADP
admet-794	168	2	0	0	NUM
admet-794	168	3	sol	sol	NOUN
admet-794	168	4	(	(	PUNCT
admet-794	168	5	kj	kj	PROPN
admet-794	168	6	/	/	SYM
admet-794	168	7	mol	mol	PROPN
admet-794	168	8	)	)	PUNCT
admet-794	168	9	are	be	AUX
admet-794	168	10	calculated	calculate	VERB
admet-794	168	11	enthalpies	enthalpy	NOUN
admet-794	168	12	of	of	ADP
admet-794	168	13	solution	solution	NOUN
admet-794	168	14	(	(	PUNCT
admet-794	168	15	see	see	VERB
admet-794	168	16	text	text	NOUN
admet-794	168	17	)	)	PUNCT
admet-794	168	18	.	.	PUNCT
admet-794	169	1	nrot	nrot	PROPN
admet-794	169	2	is	be	AUX
admet-794	169	3	the	the	DET
admet-794	169	4	number	number	NOUN
admet-794	169	5	of	of	ADP
admet-794	169	6	rotatable	rotatable	ADJ
admet-794	169	7	bonds	bond	NOUN
admet-794	169	8	in	in	ADP
admet-794	169	9	the	the	DET
admet-794	169	10	molecule	molecule	NOUN
admet-794	169	11	.	.	PUNCT
admet-794	170	1	for	for	ADP
admet-794	170	2	the	the	DET
admet-794	170	3	other	other	ADJ
admet-794	170	4	terms	term	NOUN
admet-794	170	5	,	,	PUNCT
admet-794	170	6	cf	cf	NOUN
admet-794	170	7	.	.	PUNCT
admet-794	170	8	abbreviations	abbreviation	NOUN
admet-794	170	9	and	and	CCONJ
admet-794	170	10	definitions	definition	NOUN
admet-794	170	11	.	.	PUNCT
admet-794	171	1	figure	figure	NOUN
admet-794	171	2	2	2	NUM
admet-794	171	3	shows	show	VERB
admet-794	171	4	the	the	DET
admet-794	171	5	trend	trend	NOUN
admet-794	171	6	between	between	ADP
admet-794	171	7	measured	measure	VERB
admet-794	171	8	log	log	NOUN
admet-794	171	9	s0	s0	NOUN
admet-794	171	10	and	and	CCONJ
admet-794	171	11	clogp	clogp	ADJ
admet-794	171	12	(	(	PUNCT
admet-794	171	13	calculated	calculate	VERB
admet-794	171	14	in	in	ADP
admet-794	171	15	rdkit	rdkit	NOUN
admet-794	171	16	[	[	X
admet-794	171	17	62	62	NUM
admet-794	171	18	]	]	X
admet-794	171	19	:	:	PUNCT
admet-794	171	20	wildman	wildman	PROPN
admet-794	171	21	-	-	PUNCT
admet-794	171	22	crippen	crippen	PROPN
admet-794	171	23	sum	sum	NOUN
admet-794	171	24	of	of	ADP
admet-794	171	25	atomic	atomic	ADJ
admet-794	171	26	contributions	contribution	NOUN
admet-794	171	27	–	–	PUNCT
admet-794	171	28	cf	cf	NOUN
admet-794	171	29	.	.	NOUN
admet-794	171	30	,	,	PUNCT
admet-794	171	31	abbreviations	abbreviation	NOUN
admet-794	171	32	and	and	CCONJ
admet-794	171	33	definitions	definition	NOUN
admet-794	171	34	)	)	PUNCT
admet-794	171	35	for	for	ADP
admet-794	171	36	the	the	DET
admet-794	171	37	two	two	NUM
admet-794	171	38	groups	group	NOUN
admet-794	171	39	of	of	ADP
admet-794	171	40	molecules	molecule	NOUN
admet-794	171	41	.	.	PUNCT
admet-794	172	1	the	the	DET
admet-794	172	2	http://dx.doi.org/10.5599/admet.794	http://dx.doi.org/10.5599/admet.794	ADJ
admet-794	172	3	http://qsardb.org/repository/predictor/10967/104?model=rf	http://qsardb.org/repository/predictor/10967/104?model=rf	PROPN
admet-794	172	4	http://qsardb.org/repository/predictor/10967/104?model=rf	http://qsardb.org/repository/predictor/10967/104?model=rf	PROPN
admet-794	172	5	alex	alex	PROPN
admet-794	172	6	avdeef	avdeef	PROPN
admet-794	172	7	and	and	CCONJ
admet-794	172	8	manfred	manfred	PROPN
admet-794	172	9	kansy	kansy	PROPN
admet-794	172	10	admet	admet	PROPN
admet-794	172	11	&	&	CCONJ
admet-794	172	12	dmpk	dmpk	PROPN
admet-794	172	13	8(3	8(3	NUM
admet-794	172	14	)	)	PUNCT
admet-794	172	15	(	(	PUNCT
admet-794	172	16	2020	2020	NUM
admet-794	172	17	)	)	PUNCT
admet-794	172	18	180	180	NUM
admet-794	172	19	-	-	SYM
admet-794	172	20	206	206	NUM
admet-794	172	21	186	186	NUM
admet-794	172	22	scatter	scatter	NOUN
admet-794	172	23	is	be	AUX
admet-794	172	24	substantial	substantial	ADJ
admet-794	172	25	.	.	PUNCT
admet-794	173	1	nevertheless	nevertheless	ADV
admet-794	173	2	,	,	PUNCT
admet-794	173	3	the	the	DET
admet-794	173	4	small	small	ADJ
admet-794	173	5	molecules	molecule	NOUN
admet-794	173	6	(	(	PUNCT
admet-794	173	7	green	green	ADJ
admet-794	173	8	circles	circle	NOUN
admet-794	173	9	)	)	PUNCT
admet-794	173	10	show	show	VERB
admet-794	173	11	the	the	DET
admet-794	173	12	expected	expect	VERB
admet-794	173	13	-1	-1	ADJ
admet-794	173	14	slope	slope	NOUN
admet-794	173	15	,	,	PUNCT
admet-794	173	16	whereas	whereas	SCONJ
admet-794	173	17	the	the	DET
admet-794	173	18	big	big	ADJ
admet-794	173	19	molecules	molecule	NOUN
admet-794	173	20	(	(	PUNCT
admet-794	173	21	red	red	ADJ
admet-794	173	22	squares	square	NOUN
admet-794	173	23	)	)	PUNCT
admet-794	173	24	show	show	VERB
admet-794	173	25	an	an	DET
admet-794	173	26	apparent	apparent	ADJ
admet-794	173	27	slope	slope	NOUN
admet-794	173	28	of	of	ADP
admet-794	173	29	-0.239	-0.239	PROPN
admet-794	173	30	.	.	PUNCT
admet-794	174	1	this	this	PRON
admet-794	174	2	is	be	AUX
admet-794	174	3	an	an	DET
admet-794	174	4	important	important	ADJ
admet-794	174	5	characteristic	characteristic	ADJ
admet-794	174	6	differentiating	differentiate	VERB
admet-794	174	7	the	the	DET
admet-794	174	8	two	two	NUM
admet-794	174	9	groups	group	NOUN
admet-794	174	10	.	.	PUNCT
admet-794	175	1	figure	figure	VERB
admet-794	175	2	1	1	NUM
admet-794	175	3	.	.	PUNCT
admet-794	176	1	distribution	distribution	NOUN
admet-794	176	2	of	of	ADP
admet-794	176	3	the	the	DET
admet-794	176	4	big	big	ADJ
admet-794	176	5	-	-	PUNCT
admet-794	176	6	molecule	molecule	NOUN
admet-794	176	7	intrinsic	intrinsic	ADJ
admet-794	176	8	aqueous	aqueous	ADJ
admet-794	176	9	solubility	solubility	NOUN
admet-794	176	10	values	value	NOUN
admet-794	176	11	in	in	ADP
admet-794	176	12	wiki	wiki	NOUN
admet-794	176	13	-	-	PUNCT
admet-794	176	14	ps0	ps0	ADJ
admet-794	176	15	figure	figure	NOUN
admet-794	176	16	2	2	NUM
admet-794	176	17	.	.	PUNCT
admet-794	176	18	plot	plot	NOUN
admet-794	176	19	of	of	ADP
admet-794	176	20	log	log	NOUN
admet-794	176	21	s0	s0	PROPN
admet-794	176	22	versus	versus	ADP
admet-794	176	23	octanol	octanol	NOUN
admet-794	176	24	-	-	PUNCT
admet-794	176	25	water	water	NOUN
admet-794	176	26	partition	partition	NOUN
admet-794	176	27	coefficient	coefficient	NOUN
admet-794	176	28	,	,	PUNCT
admet-794	176	29	clogp	clogp	ADJ
admet-794	176	30	,	,	PUNCT
admet-794	176	31	calculated	calculate	VERB
admet-794	176	32	using	use	VERB
admet-794	176	33	the	the	DET
admet-794	176	34	rdkit	rdkit	ADJ
admet-794	176	35	software	software	NOUN
admet-794	176	36	[	[	X
admet-794	176	37	62	62	NUM
admet-794	176	38	]	]	PUNCT
admet-794	176	39	.	.	PUNCT
admet-794	177	1	squares	square	NOUN
admet-794	177	2	refer	refer	VERB
admet-794	177	3	to	to	ADP
admet-794	177	4	big	big	ADJ
admet-794	177	5	molecules	molecule	NOUN
admet-794	177	6	;	;	PUNCT
admet-794	177	7	circles	circle	NOUN
admet-794	177	8	refer	refer	VERB
admet-794	177	9	to	to	ADP
admet-794	177	10	small	small	ADJ
admet-794	177	11	molecules	molecule	NOUN
admet-794	177	12	characteristics	characteristic	NOUN
admet-794	177	13	of	of	ADP
admet-794	177	14	the	the	DET
admet-794	177	15	big	big	ADJ
admet-794	177	16	molecules	molecule	NOUN
admet-794	177	17	figure	figure	VERB
admet-794	177	18	3	3	NUM
admet-794	177	19	shows	show	VERB
admet-794	177	20	property	property	NOUN
admet-794	177	21	distributions	distribution	NOUN
admet-794	177	22	as	as	ADP
admet-794	177	23	possible	possible	ADJ
admet-794	177	24	indicators	indicator	NOUN
admet-794	177	25	of	of	ADP
admet-794	177	26	bro5	bro5	NOUN
admet-794	177	27	‘	'	PUNCT
admet-794	177	28	big	big	ADJ
admet-794	177	29	-	-	PUNCT
admet-794	177	30	drug	drug	NOUN
admet-794	177	31	-	-	PUNCT
admet-794	177	32	likeness	likeness	NOUN
admet-794	177	33	.	.	PUNCT
admet-794	177	34	’	'	PUNCT
admet-794	178	1	frame	frame	NOUN
admet-794	178	2	(	(	PUNCT
admet-794	178	3	a	a	X
admet-794	178	4	)	)	PUNCT
admet-794	178	5	shows	show	VERB
admet-794	178	6	the	the	DET
admet-794	178	7	clogp	clogp	ADJ
admet-794	178	8	distribution	distribution	NOUN
admet-794	178	9	:	:	PUNCT
admet-794	178	10	on	on	ADP
admet-794	178	11	the	the	DET
admet-794	178	12	average	average	ADJ
admet-794	178	13	,	,	PUNCT
admet-794	178	14	clogp	clogp	ADJ
admet-794	178	15	of	of	ADP
admet-794	178	16	the	the	DET
admet-794	178	17	‘	'	PUNCT
admet-794	178	18	big	big	ADJ
admet-794	178	19	’	'	PUNCT
admet-794	178	20	set	set	NOUN
admet-794	178	21	(	(	PUNCT
admet-794	178	22	3.17	3.17	NUM
admet-794	178	23	)	)	PUNCT
admet-794	178	24	is	be	AUX
admet-794	178	25	greater	great	ADJ
admet-794	178	26	than	than	ADP
admet-794	178	27	that	that	PRON
admet-794	178	28	of	of	ADP
admet-794	178	29	the	the	DET
admet-794	178	30	‘	'	PUNCT
admet-794	178	31	small	small	ADJ
admet-794	178	32	’	'	PUNCT
admet-794	178	33	set	set	NOUN
admet-794	178	34	(	(	PUNCT
admet-794	178	35	1.89	1.89	NUM
admet-794	178	36	)	)	PUNCT
admet-794	179	1	[	[	X
admet-794	179	2	20	20	NUM
admet-794	179	3	]	]	PUNCT
admet-794	179	4	.	.	PUNCT
admet-794	180	1	frame	frame	NOUN
admet-794	180	2	(	(	PUNCT
admet-794	180	3	b	b	X
admet-794	180	4	)	)	PUNCT
admet-794	180	5	shows	show	VERB
admet-794	180	6	the	the	DET
admet-794	180	7	distribution	distribution	NOUN
admet-794	180	8	of	of	ADP
admet-794	180	9	molecular	molecular	ADJ
admet-794	180	10	weights	weight	NOUN
admet-794	180	11	about	about	ADP
admet-794	180	12	the	the	DET
admet-794	180	13	mean	mean	ADJ
admet-794	180	14	value	value	NOUN
admet-794	180	15	1034	1034	NUM
admet-794	180	16	da	da	NOUN
admet-794	180	17	(	(	PUNCT
admet-794	180	18	compared	compare	VERB
admet-794	180	19	to	to	ADP
admet-794	180	20	280	280	NUM
admet-794	180	21	da	da	NOUN
admet-794	180	22	in	in	ADP
admet-794	180	23	the	the	DET
admet-794	180	24	entire	entire	ADJ
admet-794	180	25	set	set	NOUN
admet-794	180	26	[	[	X
admet-794	180	27	20	20	NUM
admet-794	180	28	]	]	NUM
admet-794	180	29	)	)	PUNCT
admet-794	180	30	.	.	PUNCT
admet-794	181	1	frame	frame	NOUN
admet-794	181	2	(	(	PUNCT
admet-794	181	3	c	c	NOUN
admet-794	181	4	)	)	PUNCT
admet-794	181	5	considers	consider	VERB
admet-794	181	6	h	h	NOUN
admet-794	181	7	-	-	PUNCT
admet-794	181	8	bonding	bonding	NOUN
admet-794	181	9	characteristics	characteristic	NOUN
admet-794	181	10	.	.	PUNCT
admet-794	182	1	the	the	DET
admet-794	182	2	red	red	ADJ
admet-794	182	3	bars	bar	NOUN
admet-794	182	4	(	(	PUNCT
admet-794	182	5	tallest	tall	ADJ
admet-794	182	6	near	near	ADP
admet-794	182	7	5	5	NUM
admet-794	182	8	)	)	PUNCT
admet-794	182	9	refer	refer	VERB
admet-794	182	10	to	to	ADP
admet-794	182	11	h	h	NOUN
admet-794	182	12	-	-	PUNCT
admet-794	182	13	bond	bond	NOUN
admet-794	182	14	donor	donor	NOUN
admet-794	182	15	counts	count	NOUN
admet-794	182	16	(	(	PUNCT
admet-794	182	17	nhd	nhd	NOUN
admet-794	182	18	)	)	PUNCT
admet-794	182	19	.	.	PUNCT
admet-794	183	1	the	the	DET
admet-794	183	2	black	black	ADJ
admet-794	183	3	bars	bar	NOUN
admet-794	183	4	(	(	PUNCT
admet-794	183	5	tallest	tall	ADJ
admet-794	183	6	near	near	ADP
admet-794	183	7	15	15	NUM
admet-794	183	8	)	)	PUNCT
admet-794	183	9	refer	refer	VERB
admet-794	183	10	to	to	ADP
admet-794	183	11	h	h	NOUN
admet-794	183	12	-	-	PUNCT
admet-794	183	13	bond	bond	NOUN
admet-794	183	14	acceptors	acceptor	NOUN
admet-794	183	15	(	(	PUNCT
admet-794	183	16	nha	nha	NOUN
admet-794	183	17	)	)	PUNCT
admet-794	183	18	.	.	PUNCT
admet-794	184	1	in	in	ADP
admet-794	184	2	the	the	DET
admet-794	184	3	small	small	ADJ
admet-794	184	4	-	-	PUNCT
admet-794	184	5	molecule	molecule	NOUN
admet-794	184	6	set	set	NOUN
admet-794	184	7	,	,	PUNCT
admet-794	184	8	the	the	DET
admet-794	184	9	nha	nha	NOUN
admet-794	184	10	and	and	CCONJ
admet-794	184	11	nhd	nhd	PRON
admet-794	184	12	groups	group	NOUN
admet-794	184	13	overlap	overlap	VERB
admet-794	184	14	considerably	considerably	ADV
admet-794	184	15	,	,	PUNCT
admet-794	184	16	as	as	SCONJ
admet-794	184	17	illustrated	illustrate	VERB
admet-794	184	18	elsewhere	elsewhere	ADV
admet-794	184	19	[	[	X
admet-794	184	20	20	20	NUM
admet-794	184	21	]	]	PUNCT
admet-794	184	22	.	.	PUNCT
admet-794	185	1	but	but	CCONJ
admet-794	185	2	,	,	PUNCT
admet-794	185	3	in	in	ADP
admet-794	185	4	the	the	DET
admet-794	185	5	big	big	ADJ
admet-794	185	6	-	-	PUNCT
admet-794	185	7	molecule	molecule	NOUN
admet-794	185	8	set	set	NOUN
admet-794	185	9	(	(	PUNCT
admet-794	185	10	fig	fig	NOUN
admet-794	185	11	.	.	PUNCT
admet-794	186	1	3c	3c	NUM
admet-794	186	2	,	,	PUNCT
admet-794	186	3	table	table	NOUN
admet-794	186	4	1	1	NUM
admet-794	186	5	)	)	PUNCT
admet-794	186	6	the	the	DET
admet-794	186	7	nha	nha	NOUN
admet-794	186	8	and	and	CCONJ
admet-794	186	9	nhd	nhd	PROPN
admet-794	186	10	distributions	distribution	NOUN
admet-794	186	11	are	be	AUX
admet-794	186	12	wider	wide	ADJ
admet-794	186	13	apart	apart	ADV
admet-794	186	14	:	:	PUNCT
admet-794	186	15	the	the	DET
admet-794	186	16	acceptor	acceptor	NOUN
admet-794	186	17	count	count	NOUN
admet-794	186	18	increases	increase	NOUN
admet-794	186	19	,	,	PUNCT
admet-794	186	20	but	but	CCONJ
admet-794	186	21	not	not	PART
admet-794	186	22	so	so	ADV
admet-794	186	23	much	much	ADV
admet-794	186	24	the	the	DET
admet-794	186	25	donor	donor	NOUN
admet-794	186	26	count	count	NOUN
admet-794	186	27	.	.	PUNCT
admet-794	187	1	this	this	PRON
admet-794	187	2	is	be	AUX
admet-794	187	3	an	an	DET
admet-794	187	4	important	important	ADJ
admet-794	187	5	characteristic	characteristic	ADJ
admet-794	187	6	differentiating	differentiate	VERB
admet-794	187	7	the	the	DET
admet-794	187	8	big	big	ADJ
admet-794	187	9	-	-	PUNCT
admet-794	187	10	small	small	ADJ
admet-794	187	11	molecule	molecule	NOUN
admet-794	187	12	groups	group	NOUN
admet-794	187	13	.	.	PUNCT
admet-794	188	1	figure	figure	VERB
admet-794	188	2	3	3	NUM
admet-794	188	3	.	.	PUNCT
admet-794	189	1	big	big	ADJ
admet-794	189	2	-	-	PUNCT
admet-794	189	3	molecule	molecule	NOUN
admet-794	189	4	property	property	NOUN
admet-794	189	5	distributions	distribution	NOUN
admet-794	189	6	:	:	PUNCT
admet-794	189	7	(	(	PUNCT
admet-794	189	8	a	a	X
admet-794	189	9	)	)	PUNCT
admet-794	189	10	clogp	clogp	NOUN
admet-794	189	11	,	,	PUNCT
admet-794	189	12	(	(	PUNCT
admet-794	189	13	b	b	X
admet-794	189	14	)	)	PUNCT
admet-794	189	15	molecular	molecular	ADJ
admet-794	189	16	weight	weight	NOUN
admet-794	189	17	(	(	PUNCT
admet-794	189	18	mw	mw	NOUN
admet-794	189	19	)	)	PUNCT
admet-794	189	20	,	,	PUNCT
admet-794	189	21	and	and	CCONJ
admet-794	189	22	(	(	PUNCT
admet-794	189	23	c	c	NOUN
admet-794	189	24	)	)	PUNCT
admet-794	189	25	number	number	NOUN
admet-794	189	26	of	of	ADP
admet-794	189	27	h	h	NOUN
admet-794	189	28	-	-	PUNCT
admet-794	189	29	bond	bond	NOUN
admet-794	189	30	donors	donor	NOUN
admet-794	189	31	(	(	PUNCT
admet-794	189	32	nhd	nhd	NOUN
admet-794	189	33	)	)	PUNCT
admet-794	189	34	and	and	CCONJ
admet-794	189	35	acceptors	acceptor	NOUN
admet-794	189	36	(	(	PUNCT
admet-794	189	37	nha	nha	NOUN
admet-794	189	38	)	)	PUNCT
admet-794	189	39	.	.	PUNCT
admet-794	190	1	the	the	DET
admet-794	190	2	separation	separation	NOUN
admet-794	190	3	between	between	ADP
admet-794	190	4	the	the	DET
admet-794	190	5	groups	group	NOUN
admet-794	190	6	is	be	AUX
admet-794	190	7	greater	great	ADJ
admet-794	190	8	than	than	ADP
admet-794	190	9	that	that	PRON
admet-794	190	10	found	find	VERB
admet-794	190	11	in	in	ADP
admet-794	190	12	small	small	ADJ
admet-794	190	13	molecules	molecule	NOUN
admet-794	190	14	[	[	X
admet-794	190	15	20	20	NUM
admet-794	190	16	]	]	PUNCT
admet-794	190	17	.	.	PUNCT
admet-794	191	1	admet	admet	PROPN
admet-794	191	2	&	&	CCONJ
admet-794	191	3	dmpk	dmpk	PROPN
admet-794	191	4	8(3	8(3	NUM
admet-794	191	5	)	)	PUNCT
admet-794	191	6	(	(	PUNCT
admet-794	191	7	2020	2020	NUM
admet-794	191	8	)	)	PUNCT
admet-794	191	9	180	180	NUM
admet-794	191	10	-	-	SYM
admet-794	191	11	206	206	NUM
admet-794	191	12	can	can	AUX
admet-794	191	13	small	small	ADJ
admet-794	191	14	drugs	drug	NOUN
admet-794	191	15	predict	predict	VERB
admet-794	191	16	log	log	NOUN
admet-794	191	17	s0	s0	PROPN
admet-794	191	18	of	of	ADP
admet-794	191	19	‘	'	PUNCT
admet-794	191	20	beyond	beyond	ADP
admet-794	191	21	rule	rule	NOUN
admet-794	191	22	of	of	ADP
admet-794	191	23	5	5	NUM
admet-794	191	24	’	'	PUNCT
admet-794	191	25	big	big	ADJ
admet-794	191	26	drugs	drug	NOUN
admet-794	191	27	?	?	PUNCT
admet-794	192	1	doi	doi	NOUN
admet-794	192	2	:	:	PUNCT
admet-794	192	3	http://dx.doi.org/10.5599/admet.794	http://dx.doi.org/10.5599/admet.794	ADJ
admet-794	192	4	187	187	NUM
admet-794	192	5	results	result	NOUN
admet-794	192	6	and	and	CCONJ
admet-794	192	7	discussion	discussion	NOUN
admet-794	192	8	gse	gse	PROPN
admet-794	192	9	applied	apply	VERB
admet-794	192	10	to	to	ADP
admet-794	192	11	big	big	ADJ
admet-794	192	12	compounds	compound	NOUN
admet-794	192	13	hydrophilicity	hydrophilicity	NOUN
admet-794	192	14	(	(	PUNCT
admet-794	192	15	clogp	clogp	ADJ
admet-794	192	16	)	)	PUNCT
admet-794	192	17	effect	effect	NOUN
admet-794	192	18	in	in	ADP
admet-794	192	19	big	big	ADJ
admet-794	192	20	lipophilic	lipophilic	ADJ
admet-794	192	21	molecules	molecule	NOUN
admet-794	192	22	the	the	DET
admet-794	192	23	linear	linear	ADJ
admet-794	192	24	dependence	dependence	NOUN
admet-794	192	25	of	of	ADP
admet-794	192	26	log	log	NOUN
admet-794	192	27	s0	s0	PROPN
admet-794	192	28	on	on	ADP
admet-794	192	29	clogp	clogp	NOUN
admet-794	192	30	(	(	PUNCT
admet-794	192	31	fig	fig	NOUN
admet-794	192	32	.	.	NOUN
admet-794	193	1	2	2	NUM
admet-794	193	2	)	)	PUNCT
admet-794	193	3	was	be	AUX
admet-794	193	4	further	far	ADV
admet-794	193	5	analyzed	analyze	VERB
admet-794	193	6	in	in	ADP
admet-794	193	7	the	the	DET
admet-794	193	8	context	context	NOUN
admet-794	193	9	of	of	ADP
admet-794	193	10	eq	eq	PROPN
admet-794	193	11	.	.	PUNCT
admet-794	194	1	(	(	PUNCT
admet-794	194	2	1	1	NUM
admet-794	194	3	)	)	PUNCT
admet-794	194	4	.	.	PUNCT
admet-794	195	1	mlr	mlr	NOUN
admet-794	195	2	of	of	ADP
admet-794	195	3	the	the	DET
admet-794	195	4	sd	sd	NOUN
admet-794	195	5	-	-	PUNCT
admet-794	195	6	weighted	weight	VERB
admet-794	195	7	log	log	NOUN
admet-794	195	8	s0	s0	PROPN
admet-794	195	9	data	datum	NOUN
admet-794	195	10	confirmed	confirm	VERB
admet-794	195	11	the	the	DET
admet-794	195	12	large	large	ADJ
admet-794	195	13	difference	difference	NOUN
admet-794	195	14	in	in	ADP
admet-794	195	15	clogp	clogp	ADJ
admet-794	195	16	contributions	contribution	NOUN
admet-794	195	17	in	in	ADP
admet-794	195	18	the	the	DET
admet-794	195	19	two	two	NUM
admet-794	195	20	groups	group	NOUN
admet-794	195	21	of	of	ADP
admet-794	195	22	molecules	molecule	NOUN
admet-794	195	23	:	:	PUNCT
admet-794	195	24	log	log	NOUN
admet-794	195	25	s0	s0	PROPN
admet-794	195	26	small	small	ADJ
admet-794	195	27	=	=	SYM
admet-794	195	28	-0.28(±0.04	-0.28(±0.04	NOUN
admet-794	195	29	)	)	PUNCT
admet-794	195	30	-0.83(±0.01	-0.83(±0.01	ADJ
admet-794	195	31	)	)	PUNCT
admet-794	195	32	clogp	clogp	NOUN
admet-794	195	33	-0.0062(±0.0002)·(mp	-0.0062(±0.0002)·(mp	PROPN
admet-794	195	34	25	25	NUM
admet-794	195	35	)	)	PUNCT
admet-794	195	36	(	(	PUNCT
admet-794	195	37	6a	6a	NOUN
admet-794	195	38	)	)	PUNCT
admet-794	195	39	r2	r2	PROPN
admet-794	195	40	=	=	SYM
admet-794	195	41	0.60	0.60	NUM
admet-794	195	42	,	,	PUNCT
admet-794	195	43	rmse	rmse	NOUN
admet-794	195	44	=	=	SYM
admet-794	195	45	1.16	1.16	NUM
admet-794	195	46	log	log	NOUN
admet-794	195	47	,	,	PUNCT
admet-794	195	48	mpp	mpp	NOUN
admet-794	195	49	=	=	PROPN
admet-794	195	50	37	37	NUM
admet-794	195	51	%	%	NOUN
admet-794	195	52	,	,	PUNCT
admet-794	195	53	n	n	PROPN
admet-794	195	54	=	=	SYM
admet-794	195	55	6392	6392	NUM
admet-794	195	56	log	log	NOUN
admet-794	195	57	s0	s0	PROPN
admet-794	195	58	big	big	ADJ
admet-794	195	59	=	=	SYM
admet-794	195	60	-1.77(±0.93	-1.77(±0.93	ADJ
admet-794	195	61	)	)	PUNCT
admet-794	195	62	-0.40(±0.07	-0.40(±0.07	NOUN
admet-794	195	63	)	)	PUNCT
admet-794	195	64	clogp	clogp	ADJ
admet-794	195	65	-0.010(±0.005	-0.010(±0.005	NOUN
admet-794	195	66	)	)	PUNCT
admet-794	195	67	·	·	PUNCT
admet-794	195	68	(	(	PUNCT
admet-794	195	69	mp	mp	PROPN
admet-794	195	70	25	25	NUM
admet-794	195	71	)	)	PUNCT
admet-794	195	72	(	(	PUNCT
admet-794	195	73	6b	6b	NOUN
admet-794	195	74	)	)	PUNCT
admet-794	195	75	r2	r2	PROPN
admet-794	195	76	=	=	SYM
admet-794	195	77	0.61	0.61	NUM
admet-794	195	78	,	,	PUNCT
admet-794	195	79	rmse	rmse	NOUN
admet-794	195	80	=	=	SYM
admet-794	195	81	0.89	0.89	NUM
admet-794	195	82	log	log	NOUN
admet-794	195	83	unit	unit	NOUN
admet-794	195	84	,	,	PUNCT
admet-794	195	85	mpp	mpp	NOUN
admet-794	195	86	=	=	PROPN
admet-794	195	87	36	36	NUM
admet-794	195	88	%	%	NOUN
admet-794	195	89	,	,	PUNCT
admet-794	195	90	n	n	PROPN
admet-794	195	91	=	=	NUM
admet-794	195	92	31	31	NUM
admet-794	195	93	the	the	DET
admet-794	195	94	extent	extent	NOUN
admet-794	195	95	of	of	ADP
admet-794	195	96	‘	'	PUNCT
admet-794	195	97	correct	correct	ADJ
admet-794	195	98	’	'	PUNCT
admet-794	195	99	predictions	prediction	NOUN
admet-794	195	100	is	be	AUX
admet-794	195	101	defined	define	VERB
admet-794	195	102	here	here	ADV
admet-794	195	103	by	by	ADP
admet-794	195	104	mpp	mpp	NOUN
admet-794	195	105	(	(	PUNCT
admet-794	195	106	measure	measure	NOUN
admet-794	195	107	of	of	ADP
admet-794	195	108	prediction	prediction	NOUN
admet-794	195	109	performance	performance	NOUN
admet-794	195	110	:	:	PUNCT
admet-794	195	111	percentage	percentage	NOUN
admet-794	195	112	of	of	ADP
admet-794	195	113	the	the	DET
admet-794	195	114	absolute	absolute	ADJ
admet-794	195	115	residuals	residual	NOUN
admet-794	195	116	≤	≤	NUM
admet-794	195	117	0.5	0.5	NUM
admet-794	195	118	log	log	NOUN
admet-794	195	119	unit	unit	NOUN
admet-794	195	120	)	)	PUNCT
admet-794	195	121	.	.	PUNCT
admet-794	196	1	apparently	apparently	ADV
admet-794	196	2	,	,	PUNCT
admet-794	196	3	crystal	crystal	PROPN
admet-794	196	4	lattice	lattice	PROPN
admet-794	196	5	contributions	contribution	NOUN
admet-794	196	6	are	be	AUX
admet-794	196	7	not	not	PART
admet-794	196	8	appreciably	appreciably	ADV
admet-794	196	9	different	different	ADJ
admet-794	196	10	in	in	ADP
admet-794	196	11	the	the	DET
admet-794	196	12	two	two	NUM
admet-794	196	13	groups	group	NOUN
admet-794	196	14	of	of	ADP
admet-794	196	15	molecules	molecule	NOUN
admet-794	196	16	;	;	PUNCT
admet-794	196	17	the	the	DET
admet-794	196	18	refined	refined	ADJ
admet-794	196	19	temperature	temperature	NOUN
admet-794	196	20	coefficients	coefficient	NOUN
admet-794	196	21	in	in	ADP
admet-794	196	22	the	the	DET
admet-794	196	23	two	two	NUM
admet-794	196	24	sets	set	NOUN
admet-794	196	25	are	be	AUX
admet-794	196	26	close	close	ADJ
admet-794	196	27	to	to	ADP
admet-794	196	28	the	the	DET
admet-794	196	29	gse	gse	PROPN
admet-794	196	30	value	value	NOUN
admet-794	196	31	(	(	PUNCT
admet-794	196	32	-0.01	-0.01	NOUN
admet-794	196	33	)	)	PUNCT
admet-794	196	34	in	in	ADP
admet-794	196	35	eq	eq	ADP
admet-794	196	36	.	.	PUNCT
admet-794	197	1	(	(	PUNCT
admet-794	197	2	1	1	NUM
admet-794	197	3	)	)	PUNCT
admet-794	197	4	.	.	PUNCT
admet-794	198	1	hence	hence	ADV
admet-794	198	2	,	,	PUNCT
admet-794	198	3	solution	solution	NOUN
admet-794	198	4	-	-	PUNCT
admet-794	198	5	phase	phase	NOUN
admet-794	198	6	interactions	interaction	NOUN
admet-794	198	7	appear	appear	VERB
admet-794	198	8	to	to	PART
admet-794	198	9	dominate	dominate	VERB
admet-794	198	10	solubility	solubility	NOUN
admet-794	198	11	[	[	X
admet-794	198	12	98	98	NUM
admet-794	198	13	]	]	PUNCT
admet-794	198	14	.	.	PUNCT
admet-794	199	1	the	the	DET
admet-794	199	2	intercept	intercept	NOUN
admet-794	199	3	constants	constant	NOUN
admet-794	199	4	suggest	suggest	VERB
admet-794	199	5	that	that	SCONJ
admet-794	199	6	big	big	ADJ
admet-794	199	7	-	-	PUNCT
admet-794	199	8	molecule	molecule	NOUN
admet-794	199	9	‘	'	PUNCT
admet-794	199	10	supercooled	supercoole	VERB
admet-794	199	11	’	'	PUNCT
admet-794	199	12	liquid	liquid	ADJ
admet-794	199	13	solutes	solute	NOUN
admet-794	199	14	are	be	AUX
admet-794	199	15	less	less	ADV
admet-794	199	16	miscible	miscible	ADJ
admet-794	199	17	in	in	ADP
admet-794	199	18	octanol	octanol	NOUN
admet-794	199	19	by	by	ADP
admet-794	199	20	1	1	NUM
admet-794	199	21	-	-	SYM
admet-794	199	22	2	2	NUM
admet-794	199	23	orders	order	NOUN
admet-794	199	24	of	of	ADP
admet-794	199	25	magnitude	magnitude	NOUN
admet-794	199	26	than	than	SCONJ
admet-794	199	27	suggested	suggest	VERB
admet-794	199	28	by	by	ADP
admet-794	199	29	the	the	DET
admet-794	199	30	original	original	ADJ
admet-794	199	31	yalkowsky	yalkowsky	ADJ
admet-794	199	32	analysis	analysis	NOUN
admet-794	199	33	[	[	X
admet-794	199	34	8,37	8,37	X
admet-794	199	35	]	]	X
admet-794	199	36	.	.	PUNCT
admet-794	200	1	the	the	DET
admet-794	200	2	intercepts	intercept	NOUN
admet-794	200	3	in	in	ADP
admet-794	200	4	eqs	eqs	PROPN
admet-794	200	5	.	.	PUNCT
admet-794	200	6	(	(	PUNCT
admet-794	200	7	6a	6a	NOUN
admet-794	200	8	)	)	PUNCT
admet-794	200	9	and	and	CCONJ
admet-794	200	10	(	(	PUNCT
admet-794	200	11	6b	6b	NOUN
admet-794	200	12	)	)	PUNCT
admet-794	200	13	are	be	AUX
admet-794	200	14	nearer	nearer	ADJ
admet-794	200	15	to	to	ADP
admet-794	200	16	those	those	PRON
admet-794	200	17	of	of	ADP
admet-794	200	18	alkane	alkane	NOUN
admet-794	200	19	solutes	solute	NOUN
admet-794	200	20	found	find	VERB
admet-794	200	21	in	in	ADP
admet-794	200	22	the	the	DET
admet-794	200	23	hansch	hansch	NOUN
admet-794	200	24	et	et	PROPN
admet-794	200	25	al	al	PROPN
admet-794	200	26	.	.	PUNCT
admet-794	201	1	[	[	X
admet-794	201	2	33	33	NUM
admet-794	201	3	]	]	PUNCT
admet-794	201	4	study	study	NOUN
admet-794	201	5	,	,	PUNCT
admet-794	201	6	compared	compare	VERB
admet-794	201	7	to	to	ADP
admet-794	201	8	the	the	DET
admet-794	201	9	constant	constant	NOUN
admet-794	201	10	in	in	ADP
admet-794	201	11	eq	eq	ADP
admet-794	201	12	.	.	PUNCT
admet-794	202	1	(	(	PUNCT
admet-794	202	2	1	1	NUM
admet-794	202	3	)	)	PUNCT
admet-794	202	4	.	.	PUNCT
admet-794	203	1	for	for	ADP
admet-794	203	2	the	the	DET
admet-794	203	3	big	big	ADJ
admet-794	203	4	molecules	molecule	NOUN
admet-794	203	5	,	,	PUNCT
admet-794	203	6	the	the	DET
admet-794	203	7	highly	highly	ADV
admet-794	203	8	negative	negative	ADJ
admet-794	203	9	intercept	intercept	NOUN
admet-794	203	10	(	(	PUNCT
admet-794	203	11	i.e.	i.e.	X
admet-794	203	12	,	,	PUNCT
admet-794	203	13	decreased	decrease	VERB
admet-794	203	14	solubility	solubility	NOUN
admet-794	203	15	of	of	ADP
admet-794	203	16	the	the	DET
admet-794	203	17	supercooled	supercoole	VERB
admet-794	203	18	liquid	liquid	NOUN
admet-794	203	19	in	in	ADP
admet-794	203	20	the	the	DET
admet-794	203	21	octanol	octanol	NOUN
admet-794	203	22	phase	phase	NOUN
admet-794	203	23	)	)	PUNCT
admet-794	203	24	depresses	depress	VERB
admet-794	203	25	the	the	DET
admet-794	203	26	solute	solute	NOUN
admet-794	203	27	water	water	NOUN
admet-794	203	28	solubility	solubility	NOUN
admet-794	203	29	by	by	ADP
admet-794	203	30	a	a	DET
admet-794	203	31	constant	constant	ADJ
admet-794	203	32	amount	amount	NOUN
admet-794	203	33	.	.	PUNCT
admet-794	204	1	countering	counter	VERB
admet-794	204	2	that	that	SCONJ
admet-794	204	3	,	,	PUNCT
admet-794	204	4	the	the	DET
admet-794	204	5	-0.4	-0.4	NOUN
admet-794	204	6	slope	slope	NOUN
admet-794	204	7	factor	factor	NOUN
admet-794	204	8	lessens	lessen	VERB
admet-794	204	9	the	the	DET
admet-794	204	10	contribution	contribution	NOUN
admet-794	204	11	of	of	ADP
admet-794	204	12	lipophilicity	lipophilicity	NOUN
admet-794	204	13	to	to	ADP
admet-794	204	14	the	the	DET
admet-794	204	15	calculated	calculated	ADJ
admet-794	204	16	solubility	solubility	NOUN
admet-794	204	17	of	of	ADP
admet-794	204	18	big	big	ADJ
admet-794	204	19	molecules	molecule	NOUN
admet-794	204	20	.	.	PUNCT
admet-794	205	1	the	the	DET
admet-794	205	2	net	net	ADJ
admet-794	205	3	result	result	NOUN
admet-794	205	4	is	be	AUX
admet-794	205	5	that	that	SCONJ
admet-794	205	6	the	the	DET
admet-794	205	7	traditional	traditional	ADJ
admet-794	205	8	gse	gse	ADJ
admet-794	205	9	overpredicts	overpredict	NOUN
admet-794	205	10	s0	s0	NOUN
admet-794	205	11	for	for	ADP
admet-794	205	12	big	big	ADJ
admet-794	205	13	molecules	molecule	NOUN
admet-794	205	14	with	with	ADP
admet-794	205	15	experimental	experimental	ADJ
admet-794	205	16	solubility	solubility	NOUN
admet-794	205	17	above	above	ADP
admet-794	205	18	~50	~50	X
admet-794	205	19	µm	µm	X
admet-794	205	20	(	(	PUNCT
admet-794	205	21	e.g.	e.g.	ADV
admet-794	205	22	,	,	PUNCT
admet-794	205	23	oxytocin	oxytocin	NOUN
admet-794	205	24	,	,	PUNCT
admet-794	205	25	nafarelin	nafarelin	NOUN
admet-794	205	26	)	)	PUNCT
admet-794	205	27	,	,	PUNCT
admet-794	205	28	and	and	CCONJ
admet-794	205	29	underpredicts	underpredict	VERB
admet-794	205	30	s0	s0	NOUN
admet-794	205	31	below	below	ADP
admet-794	205	32	the	the	DET
admet-794	205	33	crossover	crossover	NOUN
admet-794	205	34	point	point	NOUN
admet-794	205	35	(	(	PUNCT
admet-794	205	36	e.g.	e.g.	ADV
admet-794	205	37	,	,	PUNCT
admet-794	205	38	everolimus	everolimus	ADJ
admet-794	205	39	,	,	PUNCT
admet-794	205	40	telithromycin	telithromycin	PROPN
admet-794	205	41	)	)	PUNCT
admet-794	205	42	.	.	PUNCT
admet-794	206	1	general	general	ADJ
admet-794	206	2	solubility	solubility	NOUN
admet-794	206	3	equation	equation	NOUN
admet-794	206	4	(	(	PUNCT
admet-794	206	5	gse	gse	PROPN
admet-794	206	6	)	)	PUNCT
admet-794	206	7	figure	figure	NOUN
admet-794	206	8	4a	4a	NOUN
admet-794	206	9	shows	show	VERB
admet-794	206	10	the	the	DET
admet-794	206	11	relationship	relationship	NOUN
admet-794	206	12	between	between	ADP
admet-794	206	13	the	the	DET
admet-794	206	14	measured	measured	ADJ
admet-794	206	15	solubility	solubility	NOUN
admet-794	206	16	of	of	ADP
admet-794	206	17	small	small	ADJ
admet-794	206	18	molecules	molecule	NOUN
admet-794	206	19	and	and	CCONJ
admet-794	206	20	that	that	SCONJ
admet-794	206	21	calculated	calculate	VERB
admet-794	206	22	by	by	ADP
admet-794	206	23	the	the	DET
admet-794	206	24	classic	classic	ADJ
admet-794	206	25	(	(	PUNCT
admet-794	206	26	‘	'	PUNCT
admet-794	206	27	untrained	untrained	ADJ
admet-794	206	28	’	'	PUNCT
admet-794	206	29	)	)	PUNCT
admet-794	206	30	gse	gse	PROPN
admet-794	206	31	.	.	PUNCT
admet-794	207	1	(	(	PUNCT
admet-794	207	2	permanently	permanently	ADV
admet-794	207	3	-	-	PUNCT
admet-794	207	4	charged	charge	VERB
admet-794	207	5	quaternary	quaternary	ADJ
admet-794	207	6	amines	amine	NOUN
admet-794	207	7	and	and	CCONJ
admet-794	207	8	big	big	ADJ
admet-794	207	9	molecules	molecule	NOUN
admet-794	207	10	are	be	AUX
admet-794	207	11	excluded	exclude	VERB
admet-794	207	12	in	in	ADP
admet-794	207	13	the	the	DET
admet-794	207	14	training	training	NOUN
admet-794	207	15	.	.	PUNCT
admet-794	207	16	)	)	PUNCT
admet-794	208	1	the	the	DET
admet-794	208	2	r2	r2	PROPN
admet-794	208	3	,	,	PUNCT
admet-794	208	4	rmse	rmse	NOUN
admet-794	208	5	,	,	PUNCT
admet-794	208	6	mpp	mpp	PROPN
admet-794	208	7	statistics	statistic	NOUN
admet-794	208	8	are	be	AUX
admet-794	208	9	nearly	nearly	ADV
admet-794	208	10	identical	identical	ADJ
admet-794	208	11	to	to	ADP
admet-794	208	12	those	those	PRON
admet-794	208	13	associated	associate	VERB
admet-794	208	14	with	with	ADP
admet-794	208	15	eq	eq	NOUN
admet-794	208	16	.	.	PUNCT
admet-794	209	1	(	(	PUNCT
admet-794	209	2	6a	6a	NOUN
admet-794	209	3	)	)	PUNCT
admet-794	209	4	,	,	PUNCT
admet-794	209	5	suggesting	suggest	VERB
admet-794	209	6	that	that	SCONJ
admet-794	209	7	‘	'	PUNCT
admet-794	209	8	training	training	NOUN
admet-794	209	9	’	'	PUNCT
admet-794	209	10	does	do	AUX
admet-794	209	11	not	not	PART
admet-794	209	12	improve	improve	VERB
admet-794	209	13	the	the	DET
admet-794	209	14	gse	gse	PROPN
admet-794	209	15	predictivity	predictivity	NOUN
admet-794	209	16	for	for	ADP
admet-794	209	17	small	small	ADJ
admet-794	209	18	molecules	molecule	NOUN
admet-794	209	19	.	.	PUNCT
admet-794	210	1	however	however	ADV
admet-794	210	2	,	,	PUNCT
admet-794	210	3	the	the	DET
admet-794	210	4	performance	performance	NOUN
admet-794	210	5	of	of	ADP
admet-794	210	6	the	the	DET
admet-794	210	7	‘	'	PUNCT
admet-794	210	8	untrained	untrained	ADJ
admet-794	210	9	’	'	PUNCT
admet-794	210	10	gse	gse	PROPN
admet-794	210	11	degrades	degrade	VERB
admet-794	210	12	when	when	SCONJ
admet-794	210	13	the	the	DET
admet-794	210	14	equation	equation	NOUN
admet-794	210	15	is	be	AUX
admet-794	210	16	applied	apply	VERB
admet-794	210	17	to	to	ADP
admet-794	210	18	the	the	DET
admet-794	210	19	big	big	ADJ
admet-794	210	20	molecules	molecule	NOUN
admet-794	210	21	,	,	PUNCT
admet-794	210	22	as	as	SCONJ
admet-794	210	23	shown	show	VERB
admet-794	210	24	in	in	ADP
admet-794	210	25	figure	figure	NOUN
admet-794	210	26	4b	4b	PROPN
admet-794	210	27	,	,	PUNCT
admet-794	210	28	with	with	ADP
admet-794	210	29	r2	r2	PROPN
admet-794	210	30	=	=	SYM
admet-794	210	31	0.0	0.0	NUM
admet-794	210	32	,	,	PUNCT
admet-794	210	33	rmse	rmse	NOUN
admet-794	210	34	=	=	SYM
admet-794	210	35	3.0	3.0	NUM
admet-794	210	36	log	log	NOUN
admet-794	210	37	(	(	PUNCT
admet-794	210	38	2.3	2.3	NUM
admet-794	210	39	without	without	ADP
admet-794	210	40	ubiquinone	ubiquinone	PROPN
admet-794	210	41	)	)	PUNCT
admet-794	210	42	,	,	PUNCT
admet-794	210	43	and	and	CCONJ
admet-794	210	44	mpp	mpp	NOUN
admet-794	210	45	=	=	SYM
admet-794	210	46	16	16	NUM
admet-794	210	47	%	%	NOUN
admet-794	210	48	.	.	PUNCT
admet-794	211	1	figure	figure	VERB
admet-794	211	2	4c	4c	NOUN
admet-794	211	3	plots	plot	NOUN
admet-794	211	4	the	the	DET
admet-794	211	5	big	big	ADJ
admet-794	211	6	-	-	PUNCT
admet-794	211	7	molecule	molecule	NOUN
admet-794	211	8	‘	'	PUNCT
admet-794	211	9	trained	train	VERB
admet-794	211	10	’	'	PUNCT
admet-794	211	11	gse	gse	ADJ
admet-794	211	12	result	result	NOUN
admet-794	211	13	(	(	PUNCT
admet-794	211	14	cf	cf	NOUN
admet-794	211	15	.	.	NOUN
admet-794	211	16	,	,	PUNCT
admet-794	211	17	eq	eq	PROPN
admet-794	211	18	.	.	PROPN
admet-794	211	19	6b	6b	NUM
admet-794	211	20	)	)	PUNCT
admet-794	211	21	.	.	PUNCT
admet-794	212	1	note	note	VERB
admet-794	212	2	that	that	SCONJ
admet-794	212	3	this	this	PRON
admet-794	212	4	is	be	AUX
admet-794	212	5	not	not	PART
admet-794	212	6	the	the	DET
admet-794	212	7	equivalent	equivalent	NOUN
admet-794	212	8	of	of	ADP
admet-794	212	9	ro5	ro5	ADJ
admet-794	212	10	molecules	molecule	NOUN
admet-794	212	11	predicting	predict	VERB
admet-794	212	12	the	the	DET
admet-794	212	13	solubility	solubility	NOUN
admet-794	212	14	of	of	ADP
admet-794	212	15	bro5	bro5	NOUN
admet-794	212	16	molecules	molecule	NOUN
admet-794	212	17	.	.	PUNCT
admet-794	213	1	rather	rather	ADV
admet-794	213	2	,	,	PUNCT
admet-794	213	3	it	it	PRON
admet-794	213	4	highlights	highlight	VERB
admet-794	213	5	the	the	DET
admet-794	213	6	hydrophilicity	hydrophilicity	NOUN
admet-794	213	7	solvation	solvation	NOUN
admet-794	213	8	effect	effect	NOUN
admet-794	213	9	of	of	ADP
admet-794	213	10	big	big	ADJ
admet-794	213	11	molecules	molecule	NOUN
admet-794	213	12	discussed	discuss	VERB
admet-794	213	13	in	in	ADP
admet-794	213	14	the	the	DET
admet-794	213	15	preceding	precede	VERB
admet-794	213	16	section	section	NOUN
admet-794	213	17	.	.	PUNCT
admet-794	214	1	the	the	DET
admet-794	214	2	traditional	traditional	ADJ
admet-794	214	3	gse	gse	PROPN
admet-794	214	4	requires	require	VERB
admet-794	214	5	adjustments	adjustment	NOUN
admet-794	214	6	when	when	SCONJ
admet-794	214	7	it	it	PRON
admet-794	214	8	comes	come	VERB
admet-794	214	9	to	to	ADP
admet-794	214	10	predicting	predict	VERB
admet-794	214	11	the	the	DET
admet-794	214	12	solubility	solubility	NOUN
admet-794	214	13	of	of	ADP
admet-794	214	14	big	big	ADJ
admet-794	214	15	molecules	molecule	NOUN
admet-794	214	16	(	(	PUNCT
admet-794	214	17	cf	cf	NOUN
admet-794	214	18	.	.	NOUN
admet-794	214	19	,	,	PUNCT
admet-794	214	20	fig	fig	NOUN
admet-794	214	21	.	.	PUNCT
admet-794	215	1	4b	4b	PROPN
admet-794	215	2	)	)	PUNCT
admet-794	215	3	.	.	PUNCT
admet-794	216	1	http://dx.doi.org/10.5599/admet.794	http://dx.doi.org/10.5599/admet.794	ADJ
admet-794	216	2	alex	alex	PROPN
admet-794	216	3	avdeef	avdeef	PROPN
admet-794	216	4	and	and	CCONJ
admet-794	216	5	manfred	manfred	PROPN
admet-794	216	6	kansy	kansy	PROPN
admet-794	216	7	admet	admet	PROPN
admet-794	216	8	&	&	CCONJ
admet-794	216	9	dmpk	dmpk	PROPN
admet-794	216	10	8(3	8(3	NUM
admet-794	216	11	)	)	PUNCT
admet-794	216	12	(	(	PUNCT
admet-794	216	13	2020	2020	NUM
admet-794	216	14	)	)	PUNCT
admet-794	216	15	180	180	NUM
admet-794	216	16	-	-	SYM
admet-794	216	17	206	206	NUM
admet-794	216	18	188	188	NUM
admet-794	216	19	figure	figure	NOUN
admet-794	216	20	4	4	NUM
admet-794	216	21	.	.	PUNCT
admet-794	217	1	the	the	DET
admet-794	217	2	log	log	NOUN
admet-794	217	3	p	p	NOUN
admet-794	217	4	in	in	ADP
admet-794	217	5	the	the	DET
admet-794	217	6	figure	figure	NOUN
admet-794	217	7	refers	refer	VERB
admet-794	217	8	to	to	ADP
admet-794	217	9	calculated	calculate	VERB
admet-794	217	10	octanol	octanol	NOUN
admet-794	217	11	-	-	PUNCT
admet-794	217	12	water	water	NOUN
admet-794	217	13	partition	partition	NOUN
admet-794	217	14	coefficients	coefficient	NOUN
admet-794	217	15	,	,	PUNCT
admet-794	217	16	clogp	clogp	ADJ
admet-794	217	17	.	.	PUNCT
admet-794	218	1	the	the	DET
admet-794	218	2	solid	solid	ADJ
admet-794	218	3	diagonals	diagonal	NOUN
admet-794	218	4	are	be	AUX
admet-794	218	5	the	the	DET
admet-794	218	6	identity	identity	NOUN
admet-794	218	7	lines	line	NOUN
admet-794	218	8	,	,	PUNCT
admet-794	218	9	and	and	CCONJ
admet-794	218	10	the	the	DET
admet-794	218	11	dashed	dash	VERB
admet-794	218	12	lines	line	NOUN
admet-794	218	13	refer	refer	VERB
admet-794	218	14	to	to	ADP
admet-794	218	15	±0.5	±0.5	PROPN
admet-794	218	16	log	log	NOUN
admet-794	218	17	deviations	deviation	NOUN
admet-794	218	18	.	.	PUNCT
admet-794	219	1	the	the	DET
admet-794	219	2	mpp	mpp	PROPN
admet-794	219	3	pie	pie	PROPN
admet-794	219	4	charts	chart	NOUN
admet-794	219	5	refer	refer	VERB
admet-794	219	6	to	to	ADP
admet-794	219	7	percentage	percentage	NOUN
admet-794	219	8	of	of	ADP
admet-794	219	9	‘	'	PUNCT
admet-794	219	10	correct	correct	ADJ
admet-794	219	11	’	'	PUNCT
admet-794	219	12	prediction	prediction	NOUN
admet-794	219	13	,	,	PUNCT
admet-794	219	14	based	base	VERB
admet-794	219	15	on	on	ADP
admet-794	219	16	absolute	absolute	ADJ
admet-794	219	17	residuals	residual	NOUN
admet-794	219	18	being	be	AUX
admet-794	219	19	≤	≤	NUM
admet-794	219	20	0.5	0.5	NUM
admet-794	219	21	log	log	NOUN
admet-794	219	22	.	.	PUNCT
admet-794	220	1	the	the	DET
admet-794	220	2	prediction	prediction	NOUN
admet-794	220	3	of	of	ADP
admet-794	220	4	log	log	NOUN
admet-794	220	5	s0	s0	NOUN
admet-794	220	6	values	value	NOUN
admet-794	220	7	of	of	ADP
admet-794	220	8	(	(	PUNCT
admet-794	220	9	a	a	PRON
admet-794	220	10	)	)	PUNCT
admet-794	220	11	small	small	ADJ
admet-794	220	12	molecules	molecule	NOUN
admet-794	220	13	and	and	CCONJ
admet-794	220	14	(	(	PUNCT
admet-794	220	15	b	b	NOUN
admet-794	220	16	)	)	PUNCT
admet-794	220	17	big	big	ADJ
admet-794	220	18	molecules	molecule	NOUN
admet-794	220	19	using	use	VERB
admet-794	220	20	the	the	DET
admet-794	220	21	classical	classical	ADJ
admet-794	220	22	general	general	ADJ
admet-794	220	23	solubility	solubility	NOUN
admet-794	220	24	equation	equation	NOUN
admet-794	220	25	(	(	PUNCT
admet-794	220	26	numeric	numeric	ADJ
admet-794	220	27	compound	compound	NOUN
admet-794	220	28	labels	label	NOUN
admet-794	220	29	are	be	AUX
admet-794	220	30	of	of	ADP
admet-794	220	31	paclitaxel	paclitaxel	PROPN
admet-794	220	32	analogs	analog	NOUN
admet-794	220	33	)	)	PUNCT
admet-794	220	34	.	.	PUNCT
admet-794	221	1	(	(	PUNCT
admet-794	221	2	c	c	X
admet-794	221	3	)	)	PUNCT
admet-794	221	4	when	when	SCONJ
admet-794	221	5	using	use	VERB
admet-794	221	6	just	just	ADV
admet-794	221	7	the	the	DET
admet-794	221	8	big	big	ADJ
admet-794	221	9	-	-	PUNCT
admet-794	221	10	molecule	molecule	NOUN
admet-794	221	11	data	datum	NOUN
admet-794	221	12	,	,	PUNCT
admet-794	221	13	the	the	DET
admet-794	221	14	three	three	NUM
admet-794	221	15	constants	constant	NOUN
admet-794	221	16	in	in	ADP
admet-794	221	17	the	the	DET
admet-794	221	18	gse	gse	PROPN
admet-794	221	19	(	(	PUNCT
admet-794	221	20	eq	eq	NOUN
admet-794	221	21	.	.	NOUN
admet-794	221	22	1	1	NUM
admet-794	221	23	)	)	PUNCT
admet-794	221	24	subjected	subject	VERB
admet-794	221	25	to	to	ADP
admet-794	221	26	mlr	mlr	NOUN
admet-794	221	27	analysis	analysis	NOUN
admet-794	221	28	(	(	PUNCT
admet-794	221	29	cf	cf	NOUN
admet-794	221	30	.	.	NOUN
admet-794	221	31	,	,	PUNCT
admet-794	221	32	eq	eq	PROPN
admet-794	221	33	.	.	PROPN
admet-794	221	34	6b	6b	NOUN
admet-794	221	35	)	)	PUNCT
admet-794	221	36	produce	produce	VERB
admet-794	221	37	the	the	DET
admet-794	221	38	modified	modified	ADJ
admet-794	221	39	gse	gse	PROPN
admet-794	221	40	,	,	PUNCT
admet-794	221	41	which	which	PRON
admet-794	221	42	is	be	AUX
admet-794	221	43	valid	valid	ADJ
admet-794	221	44	only	only	ADV
admet-794	221	45	for	for	ADP
admet-794	221	46	molecules	molecule	NOUN
admet-794	221	47	with	with	ADP
admet-794	221	48	mw	mw	X
admet-794	221	49	>	>	X
admet-794	221	50	800	800	NUM
admet-794	221	51	da	da	NOUN
admet-794	221	52	.	.	PUNCT
admet-794	222	1	there	there	PRON
admet-794	222	2	are	be	VERB
admet-794	222	3	not	not	PART
admet-794	222	4	enough	enough	ADJ
admet-794	222	5	big	big	ADJ
admet-794	222	6	molecules	molecule	NOUN
admet-794	222	7	in	in	ADP
admet-794	222	8	the	the	DET
admet-794	222	9	wiki	wiki	NOUN
admet-794	222	10	-	-	PUNCT
admet-794	222	11	ps0	ps0	ADJ
admet-794	222	12	database	database	NOUN
admet-794	222	13	to	to	PART
admet-794	222	14	test	test	VERB
admet-794	222	15	the	the	DET
admet-794	222	16	predictiveness	predictiveness	NOUN
admet-794	222	17	of	of	ADP
admet-794	222	18	eq	eq	PROPN
admet-794	222	19	.	.	PUNCT
admet-794	223	1	(	(	PUNCT
admet-794	223	2	6b	6b	NOUN
admet-794	223	3	)	)	PUNCT
admet-794	223	4	.	.	PUNCT
admet-794	224	1	admet	admet	PROPN
admet-794	224	2	&	&	CCONJ
admet-794	224	3	dmpk	dmpk	PROPN
admet-794	224	4	8(3	8(3	NUM
admet-794	224	5	)	)	PUNCT
admet-794	224	6	(	(	PUNCT
admet-794	224	7	2020	2020	NUM
admet-794	224	8	)	)	PUNCT
admet-794	224	9	180	180	NUM
admet-794	224	10	-	-	SYM
admet-794	224	11	206	206	NUM
admet-794	224	12	can	can	AUX
admet-794	224	13	small	small	ADJ
admet-794	224	14	drugs	drug	NOUN
admet-794	224	15	predict	predict	VERB
admet-794	224	16	log	log	NOUN
admet-794	224	17	s0	s0	PROPN
admet-794	224	18	of	of	ADP
admet-794	224	19	‘	'	PUNCT
admet-794	224	20	beyond	beyond	ADP
admet-794	224	21	rule	rule	NOUN
admet-794	224	22	of	of	ADP
admet-794	224	23	5	5	NUM
admet-794	224	24	’	'	PUNCT
admet-794	224	25	big	big	ADJ
admet-794	224	26	drugs	drug	NOUN
admet-794	224	27	?	?	PUNCT
admet-794	225	1	doi	doi	NOUN
admet-794	225	2	:	:	PUNCT
admet-794	225	3	http://dx.doi.org/10.5599/admet.794	http://dx.doi.org/10.5599/admet.794	ADJ
admet-794	225	4	189	189	NUM
admet-794	225	5	abraham	abraham	PROPN
admet-794	225	6	solvation	solvation	NOUN
admet-794	225	7	model	model	NOUN
admet-794	225	8	(	(	PUNCT
admet-794	225	9	absolv	absolv	PROPN
admet-794	225	10	)	)	PUNCT
admet-794	225	11	–	–	PUNCT
admet-794	225	12	weighted	weight	VERB
admet-794	225	13	mlr	mlr	NOUN
admet-794	225	14	to	to	PART
admet-794	225	15	predict	predict	VERB
admet-794	225	16	solubility	solubility	NOUN
admet-794	225	17	of	of	ADP
admet-794	225	18	big	big	ADJ
admet-794	225	19	compounds	compound	NOUN
admet-794	225	20	abraham	abraham	PROPN
admet-794	225	21	linear	linear	ADJ
admet-794	225	22	equation	equation	NOUN
admet-794	225	23	for	for	ADP
admet-794	225	24	solubility	solubility	NOUN
admet-794	225	25	prediction	prediction	NOUN
admet-794	225	26	the	the	DET
admet-794	225	27	absolv	absolv	PROPN
admet-794	225	28	mlr	mlr	NOUN
admet-794	225	29	analysis	analysis	NOUN
admet-794	225	30	of	of	ADP
admet-794	225	31	the	the	DET
admet-794	225	32	small	small	ADJ
admet-794	225	33	-	-	PUNCT
admet-794	225	34	molecule	molecule	NOUN
admet-794	225	35	data	datum	NOUN
admet-794	225	36	,	,	PUNCT
admet-794	225	37	weighted	weight	VERB
admet-794	225	38	according	accord	VERB
admet-794	225	39	to	to	ADP
admet-794	225	40	the	the	DET
admet-794	225	41	estimated	estimate	VERB
admet-794	225	42	errors	error	NOUN
admet-794	225	43	in	in	ADP
admet-794	225	44	the	the	DET
admet-794	225	45	measured	measure	VERB
admet-794	225	46	log	log	NOUN
admet-794	225	47	s0	s0	PROPN
admet-794	225	48	values	value	NOUN
admet-794	225	49	produced	produce	VERB
admet-794	225	50	the	the	DET
admet-794	225	51	equation	equation	NOUN
admet-794	225	52	log	log	NOUN
admet-794	225	53	s0	s0	PROPN
admet-794	225	54	absolv	absolv	PROPN
admet-794	225	55	=	=	SYM
admet-794	225	56	-0.15(±0.05	-0.15(±0.05	ADJ
admet-794	225	57	)	)	PUNCT
admet-794	225	58	+0.20(±0.06)a	+0.20(±0.06)a	NOUN
admet-794	225	59	+1.78(±0.04)b	+1.78(±0.04)b	NOUN
admet-794	226	1	-0.11(±0.04)sπ	-0.11(±0.04)sπ	PROPN
admet-794	226	2	-1.17(±0.03)e	-1.17(±0.03)e	X
admet-794	226	3	-1.49(±0.03)v	-1.49(±0.03)v	PUNCT
admet-794	226	4	+0.01(±0.03)a∙b	+0.01(±0.03)a∙b	X
admet-794	226	5	(	(	PUNCT
admet-794	226	6	7	7	X
admet-794	226	7	)	)	PUNCT
admet-794	226	8	r2	r2	NOUN
admet-794	226	9	=	=	SYM
admet-794	226	10	0.67	0.67	NUM
admet-794	226	11	,	,	PUNCT
admet-794	226	12	rmse	rmse	NOUN
admet-794	226	13	=	=	SYM
admet-794	226	14	1.08	1.08	NUM
admet-794	226	15	log	log	NOUN
admet-794	226	16	unit	unit	NOUN
admet-794	226	17	,	,	PUNCT
admet-794	226	18	mpp	mpp	NOUN
admet-794	226	19	=	=	PROPN
admet-794	226	20	38	38	NUM
admet-794	226	21	%	%	NOUN
admet-794	226	22	,	,	PUNCT
admet-794	226	23	n	n	PROPN
admet-794	226	24	=	=	NOUN
admet-794	226	25	6392	6392	NUM
admet-794	226	26	the	the	DET
admet-794	226	27	plot	plot	NOUN
admet-794	226	28	of	of	ADP
admet-794	226	29	measured	measure	VERB
admet-794	226	30	log	log	NOUN
admet-794	226	31	s0	s0	PROPN
admet-794	226	32	as	as	ADP
admet-794	226	33	a	a	DET
admet-794	226	34	function	function	NOUN
admet-794	226	35	of	of	ADP
admet-794	226	36	the	the	DET
admet-794	226	37	calculated	calculated	ADJ
admet-794	226	38	values	value	NOUN
admet-794	226	39	according	accord	VERB
admet-794	226	40	to	to	ADP
admet-794	226	41	eq	eq	PROPN
admet-794	226	42	.	.	PUNCT
admet-794	227	1	(	(	PUNCT
admet-794	227	2	7	7	X
admet-794	227	3	)	)	PUNCT
admet-794	227	4	is	be	AUX
admet-794	227	5	shown	show	VERB
admet-794	227	6	in	in	ADP
admet-794	227	7	figure	figure	NOUN
admet-794	227	8	5a	5a	NUM
admet-794	227	9	.	.	PUNCT
admet-794	228	1	this	this	DET
admet-794	228	2	trained	train	VERB
admet-794	228	3	absolv	absolv	ADJ
admet-794	228	4	model	model	NOUN
admet-794	228	5	only	only	ADV
admet-794	228	6	slightly	slightly	ADV
admet-794	228	7	outperforms	outperform	VERB
admet-794	228	8	the	the	DET
admet-794	228	9	small	small	ADJ
admet-794	228	10	-	-	PUNCT
admet-794	228	11	molecule	molecule	NOUN
admet-794	228	12	untrained	untrained	ADJ
admet-794	228	13	/	/	SYM
admet-794	228	14	trained	train	VERB
admet-794	228	15	gse	gse	PROPN
admet-794	228	16	model	model	NOUN
admet-794	228	17	(	(	PUNCT
admet-794	228	18	fig	fig	NOUN
admet-794	228	19	.	.	PUNCT
admet-794	229	1	5a	5a	NUM
admet-794	229	2	/	/	SYM
admet-794	229	3	eq	eq	NOUN
admet-794	229	4	.	.	PROPN
admet-794	229	5	7	7	NUM
admet-794	229	6	compared	compare	VERB
admet-794	229	7	to	to	ADP
admet-794	229	8	fig	fig	NOUN
admet-794	229	9	.	.	PUNCT
admet-794	230	1	4a	4a	NUM
admet-794	230	2	/	/	SYM
admet-794	230	3	eq	eq	NOUN
admet-794	230	4	.	.	PROPN
admet-794	230	5	6a	6a	NOUN
admet-794	230	6	)	)	PUNCT
admet-794	230	7	.	.	PUNCT
admet-794	231	1	the	the	DET
admet-794	231	2	a∙b	a∙b	NUM
admet-794	231	3	cross	cross	PROPN
admet-794	231	4	term	term	NOUN
admet-794	231	5	contribution	contribution	NOUN
admet-794	231	6	appears	appear	VERB
admet-794	231	7	to	to	PART
admet-794	231	8	be	be	AUX
admet-794	231	9	negligible	negligible	ADJ
admet-794	231	10	.	.	PUNCT
admet-794	232	1	the	the	DET
admet-794	232	2	application	application	NOUN
admet-794	232	3	of	of	ADP
admet-794	232	4	eq	eq	PROPN
admet-794	232	5	.	.	PUNCT
admet-794	232	6	(	(	PUNCT
admet-794	232	7	7	7	NUM
admet-794	232	8	)	)	PUNCT
admet-794	232	9	to	to	ADP
admet-794	232	10	the	the	DET
admet-794	232	11	big	big	ADJ
admet-794	232	12	-	-	PUNCT
admet-794	232	13	molecule	molecule	NOUN
admet-794	232	14	set	set	NOUN
admet-794	232	15	produced	produce	VERB
admet-794	232	16	unidirectionally	unidirectionally	ADV
admet-794	232	17	-	-	PUNCT
admet-794	232	18	skewed	skewed	ADJ
admet-794	232	19	plot	plot	NOUN
admet-794	232	20	,	,	PUNCT
admet-794	232	21	as	as	SCONJ
admet-794	232	22	shown	show	VERB
admet-794	232	23	in	in	ADP
admet-794	232	24	figure	figure	NOUN
admet-794	232	25	5b	5b	NOUN
admet-794	232	26	.	.	PUNCT
admet-794	233	1	according	accord	VERB
admet-794	233	2	to	to	ADP
admet-794	233	3	the	the	DET
admet-794	233	4	absolv	absolv	ADJ
admet-794	233	5	model	model	NOUN
admet-794	233	6	trained	train	VERB
admet-794	233	7	on	on	ADP
admet-794	233	8	small	small	ADJ
admet-794	233	9	molecules	molecule	NOUN
admet-794	233	10	,	,	PUNCT
admet-794	233	11	the	the	DET
admet-794	233	12	solubility	solubility	NOUN
admet-794	233	13	of	of	ADP
admet-794	233	14	all	all	DET
admet-794	233	15	big	big	ADJ
admet-794	233	16	molecules	molecule	NOUN
admet-794	233	17	is	be	AUX
admet-794	233	18	underpredicted	underpredicte	VERB
admet-794	233	19	.	.	PUNCT
admet-794	234	1	for	for	ADP
admet-794	234	2	example	example	NOUN
admet-794	234	3	,	,	PUNCT
admet-794	234	4	the	the	DET
admet-794	234	5	gramicidin	gramicidin	NOUN
admet-794	234	6	a	a	DET
admet-794	234	7	measured	measure	VERB
admet-794	234	8	log	log	NOUN
admet-794	234	9	s0	s0	NOUN
admet-794	234	10	=	=	SYM
admet-794	234	11	-4.16	-4.16	PROPN
admet-794	234	12	±0.41	±0.41	PROPN
admet-794	234	13	is	be	AUX
admet-794	234	14	underestimated	underestimate	VERB
admet-794	234	15	by	by	ADP
admet-794	234	16	10	10	NUM
admet-794	234	17	orders	order	NOUN
admet-794	234	18	of	of	ADP
admet-794	234	19	magnitude	magnitude	NOUN
admet-794	234	20	.	.	PUNCT
admet-794	235	1	vancomycin	vancomycin	PROPN
admet-794	235	2	is	be	AUX
admet-794	235	3	underestimated	underestimate	VERB
admet-794	235	4	by	by	ADP
admet-794	235	5	nearly	nearly	ADV
admet-794	235	6	5	5	NUM
admet-794	235	7	orders	order	NOUN
admet-794	235	8	of	of	ADP
admet-794	235	9	magnitude	magnitude	NOUN
admet-794	235	10	.	.	PUNCT
admet-794	236	1	an	an	DET
admet-794	236	2	effort	effort	NOUN
admet-794	236	3	was	be	AUX
admet-794	236	4	made	make	VERB
admet-794	236	5	to	to	PART
admet-794	236	6	improve	improve	VERB
admet-794	236	7	the	the	DET
admet-794	236	8	fit	fit	NOUN
admet-794	236	9	.	.	PUNCT
admet-794	237	1	a	a	DET
admet-794	237	2	distinguishing	distinguish	VERB
admet-794	237	3	characteristic	characteristic	NOUN
admet-794	237	4	of	of	ADP
admet-794	237	5	big	big	ADJ
admet-794	237	6	compounds	compound	NOUN
admet-794	237	7	is	be	AUX
admet-794	237	8	that	that	SCONJ
admet-794	237	9	they	they	PRON
admet-794	237	10	contain	contain	VERB
admet-794	237	11	a	a	DET
admet-794	237	12	high	high	ADJ
admet-794	237	13	level	level	NOUN
admet-794	237	14	of	of	ADP
admet-794	237	15	h	h	NOUN
admet-794	237	16	-	-	PUNCT
admet-794	237	17	bond	bond	NOUN
admet-794	237	18	basicity	basicity	NOUN
admet-794	237	19	(	(	PUNCT
admet-794	237	20	b	b	NOUN
admet-794	237	21	)	)	PUNCT
admet-794	237	22	character	character	NOUN
admet-794	237	23	(	(	PUNCT
admet-794	237	24	table	table	NOUN
admet-794	237	25	1	1	NUM
admet-794	237	26	)	)	PUNCT
admet-794	237	27	.	.	PUNCT
admet-794	238	1	we	we	PRON
admet-794	238	2	tested	test	VERB
admet-794	238	3	several	several	ADJ
admet-794	238	4	nonlinear	nonlinear	ADJ
admet-794	238	5	contributions	contribution	NOUN
admet-794	238	6	of	of	ADP
admet-794	238	7	the	the	DET
admet-794	238	8	b	b	PROPN
admet-794	238	9	descriptor	descriptor	NOUN
admet-794	238	10	,	,	PUNCT
admet-794	238	11	with	with	ADP
admet-794	238	12	the	the	DET
admet-794	238	13	aim	aim	NOUN
admet-794	238	14	of	of	ADP
admet-794	238	15	amplifying	amplify	VERB
admet-794	238	16	its	its	PRON
admet-794	238	17	uniquely	uniquely	ADV
admet-794	238	18	high	high	ADJ
admet-794	238	19	positive	positive	ADJ
admet-794	238	20	impact	impact	NOUN
admet-794	238	21	on	on	ADP
admet-794	238	22	solubility	solubility	NOUN
admet-794	238	23	(	(	PUNCT
admet-794	238	24	eq	eq	NOUN
admet-794	238	25	.	.	PROPN
admet-794	238	26	7	7	NUM
admet-794	238	27	)	)	PUNCT
admet-794	238	28	.	.	PUNCT
admet-794	239	1	in	in	ADP
admet-794	239	2	order	order	NOUN
admet-794	239	3	to	to	PART
admet-794	239	4	avoid	avoid	VERB
admet-794	239	5	difficulties	difficulty	NOUN
admet-794	239	6	due	due	ADJ
admet-794	239	7	to	to	ADP
admet-794	239	8	descriptor	descriptor	NOUN
admet-794	239	9	correlations	correlation	NOUN
admet-794	239	10	,	,	PUNCT
admet-794	239	11	pls	pls	INTJ
admet-794	239	12	regression	regression	NOUN
admet-794	239	13	was	be	AUX
admet-794	239	14	used	use	VERB
admet-794	239	15	in	in	ADP
admet-794	239	16	place	place	NOUN
admet-794	239	17	of	of	ADP
admet-794	239	18	mlr	mlr	PROPN
admet-794	239	19	.	.	PUNCT
admet-794	240	1	the	the	DET
admet-794	240	2	modified	modify	VERB
admet-794	240	3	model	model	NOUN
admet-794	240	4	,	,	PUNCT
admet-794	240	5	depicted	depict	VERB
admet-794	240	6	in	in	ADP
admet-794	240	7	figure	figure	NOUN
admet-794	240	8	5c	5c	NOUN
admet-794	240	9	,	,	PUNCT
admet-794	240	10	is	be	AUX
admet-794	240	11	the	the	DET
admet-794	240	12	best	good	ADJ
admet-794	240	13	improvement	improvement	NOUN
admet-794	240	14	that	that	PRON
admet-794	240	15	was	be	AUX
admet-794	240	16	found	find	VERB
admet-794	240	17	.	.	PUNCT
admet-794	241	1	the	the	DET
admet-794	241	2	modified	modify	VERB
admet-794	241	3	solvation	solvation	NOUN
admet-794	241	4	model	model	NOUN
admet-794	241	5	consisted	consist	VERB
admet-794	241	6	of	of	ADP
admet-794	241	7	an	an	DET
admet-794	241	8	additional	additional	ADJ
admet-794	241	9	nonlinear	nonlinear	ADJ
admet-794	241	10	term	term	NOUN
admet-794	241	11	,	,	PUNCT
admet-794	241	12	b+z	b+z	PROPN
admet-794	241	13	,	,	PUNCT
admet-794	241	14	with	with	ADP
admet-794	241	15	z	z	PROPN
admet-794	241	16	>	>	X
admet-794	241	17	1	1	NUM
admet-794	241	18	.	.	PUNCT
admet-794	242	1	the	the	DET
admet-794	242	2	best	well	ADV
admet-794	242	3	-	-	PUNCT
admet-794	242	4	fit	fit	ADJ
admet-794	242	5	value	value	NOUN
admet-794	242	6	of	of	ADP
admet-794	242	7	z	z	NOUN
admet-794	242	8	was	be	AUX
admet-794	242	9	determined	determine	VERB
admet-794	242	10	to	to	PART
admet-794	242	11	be	be	AUX
admet-794	242	12	1.11	1.11	NUM
admet-794	242	13	.	.	PUNCT
admet-794	243	1	this	this	DET
admet-794	243	2	new	new	ADJ
admet-794	243	3	descriptor	descriptor	NOUN
admet-794	243	4	was	be	AUX
admet-794	243	5	expected	expect	VERB
admet-794	243	6	to	to	PART
admet-794	243	7	amplify	amplify	VERB
admet-794	243	8	the	the	DET
admet-794	243	9	positive	positive	ADJ
admet-794	243	10	h	h	NOUN
admet-794	243	11	-	-	PUNCT
admet-794	243	12	bond	bond	NOUN
admet-794	243	13	acceptor	acceptor	NOUN
admet-794	243	14	contribution	contribution	NOUN
admet-794	243	15	in	in	ADP
admet-794	243	16	eq	eq	ADP
admet-794	243	17	.	.	PUNCT
admet-794	244	1	(	(	PUNCT
admet-794	244	2	7	7	NUM
admet-794	244	3	)	)	PUNCT
admet-794	244	4	in	in	ADP
admet-794	244	5	the	the	DET
admet-794	244	6	case	case	NOUN
admet-794	244	7	of	of	ADP
admet-794	244	8	big	big	ADJ
admet-794	244	9	molecules	molecule	NOUN
admet-794	244	10	.	.	PUNCT
admet-794	245	1	other	other	ADJ
admet-794	245	2	modifications	modification	NOUN
admet-794	245	3	were	be	AUX
admet-794	245	4	explored	explore	VERB
admet-794	245	5	,	,	PUNCT
admet-794	245	6	but	but	CCONJ
admet-794	245	7	only	only	ADV
admet-794	245	8	the	the	DET
admet-794	245	9	latter	latter	ADJ
admet-794	245	10	descriptor	descriptor	NOUN
admet-794	245	11	appeared	appear	VERB
admet-794	245	12	to	to	PART
admet-794	245	13	improve	improve	VERB
admet-794	245	14	absolv	absolv	NOUN
admet-794	245	15	to	to	ADP
admet-794	245	16	a	a	DET
admet-794	245	17	level	level	NOUN
admet-794	245	18	slightly	slightly	ADV
admet-794	245	19	better	well	ADJ
admet-794	245	20	than	than	ADP
admet-794	245	21	that	that	PRON
admet-794	245	22	of	of	ADP
admet-794	245	23	the	the	DET
admet-794	245	24	classic	classic	ADJ
admet-794	245	25	gse	gse	NOUN
admet-794	245	26	(	(	PUNCT
admet-794	245	27	fig	fig	NOUN
admet-794	245	28	.	.	PUNCT
admet-794	246	1	4b	4b	PROPN
admet-794	246	2	)	)	PUNCT
admet-794	246	3	.	.	PUNCT
admet-794	247	1	on	on	ADP
admet-794	247	2	inspection	inspection	NOUN
admet-794	247	3	,	,	PUNCT
admet-794	247	4	the	the	DET
admet-794	247	5	systematic	systematic	ADJ
admet-794	247	6	errors	error	NOUN
admet-794	247	7	in	in	ADP
admet-794	247	8	figure	figure	NOUN
admet-794	247	9	5b	5b	NUM
admet-794	247	10	were	be	AUX
admet-794	247	11	found	find	VERB
admet-794	247	12	to	to	PART
admet-794	247	13	correlate	correlate	VERB
admet-794	247	14	with	with	ADP
admet-794	247	15	the	the	DET
admet-794	247	16	number	number	NOUN
admet-794	247	17	of	of	ADP
admet-794	247	18	rotatable	rotatable	ADJ
admet-794	247	19	bonds	bond	NOUN
admet-794	247	20	(	(	PUNCT
admet-794	247	21	nrot	nrot	ADV
admet-794	247	22	):	):	PUNCT
admet-794	247	23	log	log	PROPN
admet-794	247	24	s0	s0	PROPN
admet-794	247	25	obs	obs	PROPN
admet-794	247	26	–	–	PUNCT
admet-794	247	27	log	log	NOUN
admet-794	247	28	s0	s0	PROPN
admet-794	247	29	absolv	absolv	NOUN
admet-794	247	30	=	=	PROPN
admet-794	247	31	0.75	0.75	NUM
admet-794	247	32	+	+	CCONJ
admet-794	247	33	0.13	0.13	NUM
admet-794	247	34	nrot	nrot	NOUN
admet-794	247	35	,	,	PUNCT
admet-794	247	36	with	with	ADP
admet-794	247	37	r2	r2	PROPN
admet-794	247	38	=	=	PROPN
admet-794	247	39	0.44	0.44	NUM
admet-794	247	40	and	and	CCONJ
admet-794	247	41	rmse	rmse	NOUN
admet-794	247	42	=	=	NOUN
admet-794	247	43	1.62	1.62	NUM
admet-794	247	44	.	.	PUNCT
admet-794	247	45	adding	add	VERB
admet-794	247	46	0.75	0.75	NUM
admet-794	247	47	+	+	CCONJ
admet-794	247	48	0.13	0.13	NUM
admet-794	247	49	nrot	nrot	NOUN
admet-794	247	50	to	to	ADP
admet-794	247	51	eq	eq	PROPN
admet-794	247	52	.	.	PUNCT
admet-794	248	1	(	(	PUNCT
admet-794	248	2	7	7	X
admet-794	248	3	)	)	PUNCT
admet-794	248	4	reduced	reduce	VERB
admet-794	248	5	the	the	DET
admet-794	248	6	rmse	rmse	NOUN
admet-794	248	7	from	from	ADP
admet-794	248	8	3.4	3.4	NUM
admet-794	248	9	to	to	ADP
admet-794	248	10	1.6	1.6	NUM
admet-794	248	11	and	and	CCONJ
admet-794	248	12	the	the	DET
admet-794	248	13	bias	bias	NOUN
admet-794	248	14	from	from	ADP
admet-794	248	15	2.6	2.6	NUM
admet-794	248	16	to	to	PART
admet-794	248	17	0.13	0.13	NUM
admet-794	248	18	(	(	PUNCT
admet-794	248	19	r2	r2	PROPN
admet-794	248	20	remained	remain	VERB
admet-794	248	21	unchanged	unchanged	ADJ
admet-794	248	22	)	)	PUNCT
admet-794	248	23	.	.	PUNCT
admet-794	249	1	however	however	ADV
admet-794	249	2	,	,	PUNCT
admet-794	249	3	this	this	PRON
admet-794	249	4	did	do	AUX
admet-794	249	5	not	not	PART
admet-794	249	6	result	result	VERB
admet-794	249	7	in	in	ADP
admet-794	249	8	a	a	DET
admet-794	249	9	significantly	significantly	ADV
admet-794	249	10	improved	improve	VERB
admet-794	249	11	training	training	NOUN
admet-794	249	12	-	-	PUNCT
admet-794	249	13	set	set	VERB
admet-794	249	14	model	model	NOUN
admet-794	249	15	when	when	SCONJ
admet-794	249	16	nrot	nrot	PROPN
admet-794	249	17	was	be	AUX
admet-794	249	18	added	add	VERB
admet-794	249	19	to	to	ADP
admet-794	249	20	the	the	DET
admet-794	249	21	list	list	NOUN
admet-794	249	22	of	of	ADP
admet-794	249	23	absolv	absolv	ADJ
admet-794	249	24	descriptors	descriptor	NOUN
admet-794	249	25	in	in	ADP
admet-794	249	26	a	a	DET
admet-794	249	27	repeated	repeat	VERB
admet-794	249	28	pls	pls	NOUN
admet-794	249	29	analysis	analysis	NOUN
admet-794	249	30	.	.	PUNCT
admet-794	250	1	flexibility	flexibility	NOUN
admet-794	250	2	appears	appear	VERB
admet-794	250	3	to	to	PART
admet-794	250	4	be	be	AUX
admet-794	250	5	important	important	ADJ
admet-794	250	6	,	,	PUNCT
admet-794	250	7	but	but	CCONJ
admet-794	250	8	nrot	nrot	NOUN
admet-794	250	9	is	be	AUX
admet-794	250	10	not	not	PART
admet-794	250	11	significantly	significantly	ADV
admet-794	250	12	predictive	predictive	ADJ
admet-794	250	13	in	in	ADP
admet-794	250	14	the	the	DET
admet-794	250	15	training	training	NOUN
admet-794	250	16	process	process	NOUN
admet-794	250	17	.	.	PUNCT
admet-794	251	1	caron	caron	PROPN
admet-794	251	2	et	et	PROPN
admet-794	251	3	al	al	PROPN
admet-794	251	4	.	.	PUNCT
admet-794	252	1	[	[	X
admet-794	252	2	30	30	NUM
admet-794	252	3	]	]	PUNCT
admet-794	252	4	demonstrated	demonstrate	VERB
admet-794	252	5	that	that	SCONJ
admet-794	252	6	nrot	nrot	PROPN
admet-794	252	7	may	may	AUX
admet-794	252	8	have	have	VERB
admet-794	252	9	limitations	limitation	NOUN
admet-794	252	10	because	because	SCONJ
admet-794	252	11	it	it	PRON
admet-794	252	12	neglects	neglect	VERB
admet-794	252	13	the	the	DET
admet-794	252	14	contribution	contribution	NOUN
admet-794	252	15	to	to	ADP
admet-794	252	16	flexibility	flexibility	NOUN
admet-794	252	17	from	from	ADP
admet-794	252	18	cyclic	cyclic	ADJ
admet-794	252	19	fragments	fragment	NOUN
admet-794	252	20	in	in	ADP
admet-794	252	21	big	big	ADJ
admet-794	252	22	molecules	molecule	NOUN
admet-794	252	23	.	.	PUNCT
admet-794	253	1	random	random	ADJ
admet-794	253	2	forest	forest	NOUN
admet-794	253	3	regression	regression	NOUN
admet-794	253	4	using	use	VERB
admet-794	253	5	rdkit	rdkit	NOUN
admet-794	253	6	combined	combine	VERB
admet-794	253	7	with	with	ADP
admet-794	253	8	abraham	abraham	PROPN
admet-794	253	9	descriptors	descriptor	NOUN
admet-794	253	10	and	and	CCONJ
admet-794	253	11	melting	melt	VERB
admet-794	253	12	points	point	NOUN
admet-794	253	13	descriptors	descriptor	NOUN
admet-794	253	14	for	for	ADP
admet-794	253	15	the	the	DET
admet-794	253	16	rfr	rfr	PROPN
admet-794	253	17	model	model	NOUN
admet-794	253	18	building	building	PROPN
admet-794	253	19	,	,	PUNCT
admet-794	253	20	the	the	DET
admet-794	253	21	190	190	NUM
admet-794	253	22	rdkit	rdkit	NOUN
admet-794	253	23	[	[	X
admet-794	253	24	62	62	NUM
admet-794	253	25	]	]	PUNCT
admet-794	253	26	descriptors	descriptor	NOUN
admet-794	253	27	(	(	PUNCT
admet-794	253	28	excluding	exclude	VERB
admet-794	253	29	those	those	PRON
admet-794	253	30	which	which	PRON
admet-794	253	31	were	be	AUX
admet-794	253	32	zero	zero	NUM
admet-794	253	33	for	for	ADP
admet-794	253	34	all	all	DET
admet-794	253	35	compounds	compound	NOUN
admet-794	253	36	)	)	PUNCT
admet-794	253	37	were	be	AUX
admet-794	253	38	combined	combine	VERB
admet-794	253	39	with	with	ADP
admet-794	253	40	the	the	DET
admet-794	253	41	mp	mp	PROPN
admet-794	253	42	and	and	CCONJ
admet-794	253	43	the	the	DET
admet-794	253	44	absolv	absolv	ADJ
admet-794	253	45	descriptors	descriptor	NOUN
admet-794	253	46	.	.	PUNCT
admet-794	254	1	the	the	DET
admet-794	254	2	abbreviations	abbreviation	NOUN
admet-794	254	3	and	and	CCONJ
admet-794	254	4	definitions	definition	NOUN
admet-794	254	5	section	section	NOUN
admet-794	254	6	below	below	ADP
admet-794	254	7	identifies	identifie	NOUN
admet-794	254	8	and	and	CCONJ
admet-794	254	9	defines	define	VERB
admet-794	254	10	the	the	DET
admet-794	254	11	most	most	ADV
admet-794	254	12	important	important	ADJ
admet-794	254	13	descriptors	descriptor	NOUN
admet-794	254	14	used	use	VERB
admet-794	254	15	in	in	ADP
admet-794	254	16	the	the	DET
admet-794	254	17	rfr	rfr	PROPN
admet-794	254	18	algorithm	algorithm	NOUN
admet-794	254	19	.	.	PUNCT
admet-794	255	1	http://dx.doi.org/10.5599/admet.794	http://dx.doi.org/10.5599/admet.794	ADJ
admet-794	255	2	alex	alex	PROPN
admet-794	255	3	avdeef	avdeef	PROPN
admet-794	255	4	and	and	CCONJ
admet-794	255	5	manfred	manfred	PROPN
admet-794	255	6	kansy	kansy	PROPN
admet-794	255	7	admet	admet	PROPN
admet-794	255	8	&	&	CCONJ
admet-794	255	9	dmpk	dmpk	PROPN
admet-794	255	10	8(3	8(3	NUM
admet-794	255	11	)	)	PUNCT
admet-794	255	12	(	(	PUNCT
admet-794	255	13	2020	2020	NUM
admet-794	255	14	)	)	PUNCT
admet-794	255	15	180	180	NUM
admet-794	255	16	-	-	SYM
admet-794	255	17	206	206	NUM
admet-794	255	18	190	190	NUM
admet-794	255	19	figure	figure	NOUN
admet-794	255	20	5	5	NUM
admet-794	255	21	.	.	PUNCT
admet-794	256	1	the	the	DET
admet-794	256	2	prediction	prediction	NOUN
admet-794	256	3	of	of	ADP
admet-794	256	4	log	log	NOUN
admet-794	256	5	s0	s0	NOUN
admet-794	256	6	values	value	NOUN
admet-794	256	7	of	of	ADP
admet-794	256	8	(	(	PUNCT
admet-794	256	9	a	a	PRON
admet-794	256	10	)	)	PUNCT
admet-794	256	11	small	small	ADJ
admet-794	256	12	molecules	molecule	NOUN
admet-794	256	13	and	and	CCONJ
admet-794	256	14	(	(	PUNCT
admet-794	256	15	b	b	NOUN
admet-794	256	16	)	)	PUNCT
admet-794	256	17	big	big	ADJ
admet-794	256	18	molecules	molecule	NOUN
admet-794	256	19	using	use	VERB
admet-794	256	20	the	the	DET
admet-794	256	21	abraham	abraham	PROPN
admet-794	256	22	solvation	solvation	NOUN
admet-794	256	23	equation	equation	NOUN
admet-794	256	24	(	(	PUNCT
admet-794	256	25	absolv	absolv	PROPN
admet-794	256	26	)	)	PUNCT
admet-794	256	27	.	.	PUNCT
admet-794	257	1	(	(	PUNCT
admet-794	257	2	c	c	X
admet-794	257	3	)	)	PUNCT
admet-794	257	4	an	an	DET
admet-794	257	5	additional	additional	ADJ
admet-794	257	6	nonlinear	nonlinear	ADJ
admet-794	257	7	descriptor	descriptor	NOUN
admet-794	257	8	was	be	AUX
admet-794	257	9	added	add	VERB
admet-794	257	10	to	to	ADP
admet-794	257	11	the	the	DET
admet-794	257	12	absolv	absolv	ADJ
admet-794	257	13	equation	equation	NOUN
admet-794	257	14	(	(	PUNCT
admet-794	257	15	cf	cf	NOUN
admet-794	257	16	.	.	NOUN
admet-794	257	17	,	,	PUNCT
admet-794	257	18	eq	eq	NOUN
admet-794	257	19	.	.	PROPN
admet-794	257	20	5	5	NUM
admet-794	257	21	)	)	PUNCT
admet-794	257	22	,	,	PUNCT
admet-794	257	23	which	which	PRON
admet-794	257	24	was	be	AUX
admet-794	257	25	then	then	ADV
admet-794	257	26	trained	train	VERB
admet-794	257	27	with	with	ADP
admet-794	257	28	the	the	DET
admet-794	257	29	small	small	ADJ
admet-794	257	30	-	-	PUNCT
admet-794	257	31	molecule	molecule	NOUN
admet-794	257	32	set	set	NOUN
admet-794	257	33	.	.	PUNCT
admet-794	258	1	this	this	PRON
admet-794	258	2	improved	improve	VERB
admet-794	258	3	the	the	DET
admet-794	258	4	prediction	prediction	NOUN
admet-794	258	5	accuracy	accuracy	NOUN
admet-794	258	6	of	of	ADP
admet-794	258	7	the	the	DET
admet-794	258	8	modified	modified	ADJ
admet-794	258	9	absolv	absolv	ADJ
admet-794	258	10	equation	equation	NOUN
admet-794	258	11	.	.	PUNCT
admet-794	259	1	the	the	DET
admet-794	259	2	pie	pie	NOUN
admet-794	259	3	chart	chart	NOUN
admet-794	259	4	denotes	denote	VERB
admet-794	259	5	mpp	mpp	PROPN
admet-794	259	6	,	,	PUNCT
admet-794	259	7	the	the	DET
admet-794	259	8	fraction	fraction	NOUN
admet-794	259	9	of	of	ADP
admet-794	259	10	‘	'	PUNCT
admet-794	259	11	correctly	correctly	ADV
admet-794	259	12	’	'	PUNCT
admet-794	259	13	predicted	predict	VERB
admet-794	259	14	molecules	molecule	NOUN
admet-794	259	15	(	(	PUNCT
admet-794	259	16	absolute	absolute	ADJ
admet-794	259	17	residuals	residual	NOUN
admet-794	259	18	≤	≤	NUM
admet-794	259	19	0.5	0.5	NUM
admet-794	259	20	log	log	NOUN
admet-794	259	21	unit	unit	NOUN
admet-794	259	22	)	)	PUNCT
admet-794	259	23	.	.	PUNCT
admet-794	260	1	admet	admet	PROPN
admet-794	260	2	&	&	CCONJ
admet-794	260	3	dmpk	dmpk	PROPN
admet-794	260	4	8(3	8(3	NUM
admet-794	260	5	)	)	PUNCT
admet-794	260	6	(	(	PUNCT
admet-794	260	7	2020	2020	NUM
admet-794	260	8	)	)	PUNCT
admet-794	260	9	180	180	NUM
admet-794	260	10	-	-	SYM
admet-794	260	11	206	206	NUM
admet-794	260	12	can	can	AUX
admet-794	260	13	small	small	ADJ
admet-794	260	14	drugs	drug	NOUN
admet-794	260	15	predict	predict	VERB
admet-794	260	16	log	log	NOUN
admet-794	260	17	s0	s0	PROPN
admet-794	260	18	of	of	ADP
admet-794	260	19	‘	'	PUNCT
admet-794	260	20	beyond	beyond	ADP
admet-794	260	21	rule	rule	NOUN
admet-794	260	22	of	of	ADP
admet-794	260	23	5	5	NUM
admet-794	260	24	’	'	PUNCT
admet-794	260	25	big	big	ADJ
admet-794	260	26	drugs	drug	NOUN
admet-794	260	27	?	?	PUNCT
admet-794	261	1	doi	doi	NOUN
admet-794	261	2	:	:	PUNCT
admet-794	261	3	http://dx.doi.org/10.5599/admet.794	http://dx.doi.org/10.5599/admet.794	ADJ
admet-794	261	4	191	191	NUM
admet-794	261	5	figure	figure	NOUN
admet-794	261	6	6	6	NUM
admet-794	261	7	.	.	PUNCT
admet-794	261	8	random	random	ADJ
admet-794	261	9	forest	forest	NOUN
admet-794	261	10	regression	regression	NOUN
admet-794	261	11	analysis	analysis	NOUN
admet-794	261	12	.	.	PUNCT
admet-794	262	1	(	(	PUNCT
admet-794	262	2	a	a	X
admet-794	262	3	)	)	PUNCT
admet-794	262	4	training	training	NOUN
admet-794	262	5	set	set	NOUN
admet-794	262	6	using	use	VERB
admet-794	262	7	the	the	DET
admet-794	262	8	small	small	ADJ
admet-794	262	9	molecules	molecule	NOUN
admet-794	262	10	.	.	PUNCT
admet-794	263	1	(	(	PUNCT
admet-794	263	2	b	b	X
admet-794	263	3	)	)	PUNCT
admet-794	263	4	internal	internal	ADJ
admet-794	263	5	validation	validation	NOUN
admet-794	263	6	test	test	NOUN
admet-794	263	7	set	set	NOUN
admet-794	263	8	,	,	PUNCT
admet-794	263	9	based	base	VERB
admet-794	263	10	on	on	ADP
admet-794	263	11	30	30	NUM
admet-794	263	12	%	%	NOUN
admet-794	263	13	of	of	ADP
admet-794	263	14	the	the	DET
admet-794	263	15	small	small	ADJ
admet-794	263	16	molecules	molecule	NOUN
admet-794	263	17	randomly	randomly	ADV
admet-794	263	18	selected	select	VERB
admet-794	263	19	.	.	PUNCT
admet-794	264	1	(	(	PUNCT
admet-794	264	2	c	c	X
admet-794	264	3	)	)	PUNCT
admet-794	264	4	external	external	ADJ
admet-794	264	5	test	test	NOUN
admet-794	264	6	set	set	VERB
admet-794	264	7	prediction	prediction	NOUN
admet-794	264	8	of	of	ADP
admet-794	264	9	big	big	ADJ
admet-794	264	10	molecules	molecule	NOUN
admet-794	264	11	,	,	PUNCT
admet-794	264	12	not	not	PART
admet-794	264	13	used	use	VERB
admet-794	264	14	in	in	ADP
admet-794	264	15	the	the	DET
admet-794	264	16	method	method	NOUN
admet-794	264	17	training	training	NOUN
admet-794	264	18	.	.	PUNCT
admet-794	265	1	training	training	NOUN
admet-794	265	2	set	set	NOUN
admet-794	265	3	and	and	CCONJ
admet-794	265	4	internal	internal	ADJ
admet-794	265	5	validation	validation	NOUN
admet-794	265	6	figure	figure	NOUN
admet-794	265	7	6a	6a	NOUN
admet-794	265	8	shows	show	VERB
admet-794	265	9	the	the	DET
admet-794	265	10	small	small	ADJ
admet-794	265	11	-	-	PUNCT
admet-794	265	12	molecule	molecule	NOUN
admet-794	265	13	training	training	NOUN
admet-794	265	14	-	-	PUNCT
admet-794	265	15	set	set	VERB
admet-794	265	16	rfr	rfr	PROPN
admet-794	265	17	analysis	analysis	NOUN
admet-794	265	18	,	,	PUNCT
admet-794	265	19	resulting	result	VERB
admet-794	265	20	in	in	ADP
admet-794	265	21	the	the	DET
admet-794	265	22	metrics	metric	NOUN
admet-794	265	23	:	:	PUNCT
admet-794	265	24	r2	r2	PROPN
admet-794	265	25	=	=	SYM
admet-794	265	26	0.98	0.98	NUM
admet-794	265	27	,	,	PUNCT
admet-794	265	28	rmse	rmse	NOUN
admet-794	265	29	=	=	PROPN
admet-794	265	30	0.27	0.27	NUM
admet-794	265	31	log	log	NOUN
admet-794	265	32	,	,	PUNCT
admet-794	265	33	bias	bias	NOUN
admet-794	265	34	=	=	X
admet-794	265	35	-0.001	-0.001	NOUN
admet-794	265	36	.	.	PUNCT
admet-794	266	1	this	this	DET
admet-794	266	2	quality	quality	NOUN
admet-794	266	3	of	of	ADP
admet-794	266	4	fit	fit	ADJ
admet-794	266	5	indicates	indicate	VERB
admet-794	266	6	how	how	SCONJ
admet-794	266	7	well	well	ADV
admet-794	266	8	the	the	DET
admet-794	266	9	model	model	NOUN
admet-794	266	10	can	can	AUX
admet-794	266	11	incorporate	incorporate	VERB
admet-794	266	12	the	the	DET
admet-794	266	13	information	information	NOUN
admet-794	266	14	presented	present	VERB
admet-794	266	15	by	by	ADP
admet-794	266	16	the	the	DET
admet-794	266	17	descriptors	descriptor	NOUN
admet-794	266	18	and	and	CCONJ
admet-794	266	19	relate	relate	VERB
admet-794	266	20	it	it	PRON
admet-794	266	21	to	to	ADP
admet-794	266	22	solubility	solubility	NOUN
admet-794	266	23	in	in	ADP
admet-794	266	24	the	the	DET
admet-794	266	25	training	training	NOUN
admet-794	266	26	set	set	NOUN
admet-794	266	27	[	[	X
admet-794	266	28	18	18	NUM
admet-794	266	29	]	]	PUNCT
admet-794	266	30	.	.	PUNCT
admet-794	267	1	the	the	DET
admet-794	267	2	internal	internal	ADJ
admet-794	267	3	validation	validation	NOUN
admet-794	267	4	set	set	NOUN
admet-794	267	5	of	of	ADP
admet-794	267	6	1925	1925	NUM
admet-794	267	7	small	small	ADJ
admet-794	267	8	-	-	PUNCT
admet-794	267	9	molecule	molecule	NOUN
admet-794	267	10	solubility	solubility	NOUN
admet-794	267	11	values	value	NOUN
admet-794	267	12	(	(	PUNCT
admet-794	267	13	30	30	NUM
admet-794	267	14	%	%	NOUN
admet-794	267	15	)	)	PUNCT
admet-794	267	16	,	,	PUNCT
admet-794	267	17	randomly	randomly	ADV
admet-794	267	18	selected	select	VERB
admet-794	267	19	by	by	ADP
admet-794	267	20	the	the	DET
admet-794	267	21	method	method	NOUN
admet-794	267	22	,	,	PUNCT
admet-794	267	23	better	well	ADV
admet-794	267	24	indicates	indicate	VERB
admet-794	267	25	the	the	DET
admet-794	267	26	ability	ability	NOUN
admet-794	267	27	of	of	ADP
admet-794	267	28	rfr	rfr	PROPN
admet-794	267	29	to	to	PART
admet-794	267	30	predict	predict	VERB
admet-794	267	31	external	external	ADJ
admet-794	267	32	test	test	NOUN
admet-794	267	33	compounds	compound	NOUN
admet-794	267	34	which	which	PRON
admet-794	267	35	are	be	AUX
admet-794	267	36	unknown	unknown	ADJ
admet-794	267	37	to	to	ADP
admet-794	267	38	the	the	DET
admet-794	267	39	training	training	NOUN
admet-794	267	40	process	process	NOUN
admet-794	267	41	.	.	PUNCT
admet-794	268	1	http://dx.doi.org/10.5599/admet.794	http://dx.doi.org/10.5599/admet.794	ADJ
admet-794	268	2	alex	alex	PROPN
admet-794	268	3	avdeef	avdeef	PROPN
admet-794	268	4	and	and	CCONJ
admet-794	268	5	manfred	manfred	PROPN
admet-794	268	6	kansy	kansy	PROPN
admet-794	268	7	admet	admet	PROPN
admet-794	268	8	&	&	CCONJ
admet-794	268	9	dmpk	dmpk	PROPN
admet-794	268	10	8(3	8(3	NUM
admet-794	268	11	)	)	PUNCT
admet-794	268	12	(	(	PUNCT
admet-794	268	13	2020	2020	NUM
admet-794	268	14	)	)	PUNCT
admet-794	268	15	180	180	NUM
admet-794	268	16	-	-	SYM
admet-794	268	17	206	206	NUM
admet-794	268	18	192	192	NUM
admet-794	268	19	figure	figure	NOUN
admet-794	268	20	6b	6b	NOUN
admet-794	268	21	shows	show	VERB
admet-794	268	22	the	the	DET
admet-794	268	23	internal	internal	ADJ
admet-794	268	24	validation	validation	NOUN
admet-794	268	25	test	test	NOUN
admet-794	268	26	set	set	VERB
admet-794	268	27	prediction	prediction	NOUN
admet-794	268	28	results	result	NOUN
admet-794	268	29	:	:	PUNCT
admet-794	268	30	r2	r2	NOUN
admet-794	268	31	=	=	SYM
admet-794	268	32	0.89	0.89	NUM
admet-794	268	33	,	,	PUNCT
admet-794	268	34	rmse	rmse	NOUN
admet-794	268	35	=	=	NOUN
admet-794	268	36	0.64	0.64	NUM
admet-794	268	37	log	log	NOUN
admet-794	268	38	,	,	PUNCT
admet-794	268	39	bias	bias	NOUN
admet-794	268	40	=	=	PUNCT
admet-794	268	41	0.017	0.017	NUM
admet-794	268	42	.	.	PUNCT
admet-794	269	1	this	this	DET
admet-794	269	2	performance	performance	NOUN
admet-794	269	3	is	be	AUX
admet-794	269	4	to	to	PART
admet-794	269	5	be	be	AUX
admet-794	269	6	expected	expect	VERB
admet-794	269	7	for	for	ADP
admet-794	269	8	external	external	ADJ
admet-794	269	9	test	test	NOUN
admet-794	269	10	molecules	molecule	NOUN
admet-794	269	11	,	,	PUNCT
admet-794	269	12	provided	provide	VERB
admet-794	269	13	they	they	PRON
admet-794	269	14	are	be	AUX
admet-794	269	15	adequately	adequately	ADV
admet-794	269	16	represented	represent	VERB
admet-794	269	17	in	in	ADP
admet-794	269	18	the	the	DET
admet-794	269	19	chemical	chemical	NOUN
admet-794	269	20	space	space	NOUN
admet-794	269	21	of	of	ADP
admet-794	269	22	the	the	DET
admet-794	269	23	training	training	NOUN
admet-794	269	24	set	set	NOUN
admet-794	269	25	.	.	PUNCT
admet-794	270	1	big	big	ADJ
admet-794	270	2	-	-	PUNCT
admet-794	270	3	molecule	molecule	NOUN
admet-794	270	4	external	external	ADJ
admet-794	270	5	test	test	NOUN
admet-794	270	6	set	set	VERB
admet-794	270	7	prediction	prediction	NOUN
admet-794	270	8	figure	figure	NOUN
admet-794	270	9	6c	6c	NOUN
admet-794	270	10	illustrates	illustrate	VERB
admet-794	270	11	the	the	DET
admet-794	270	12	degree	degree	NOUN
admet-794	270	13	to	to	PART
admet-794	270	14	which	which	PRON
admet-794	270	15	the	the	DET
admet-794	270	16	rfr	rfr	PROPN
admet-794	270	17	method	method	NOUN
admet-794	270	18	,	,	PUNCT
admet-794	270	19	trained	train	VERB
admet-794	270	20	by	by	ADP
admet-794	270	21	small	small	ADJ
admet-794	270	22	molecules	molecule	NOUN
admet-794	270	23	,	,	PUNCT
admet-794	270	24	can	can	AUX
admet-794	270	25	predict	predict	VERB
admet-794	270	26	the	the	DET
admet-794	270	27	solubility	solubility	NOUN
admet-794	270	28	of	of	ADP
admet-794	270	29	big	big	ADJ
admet-794	270	30	molecules	molecule	NOUN
admet-794	270	31	.	.	PUNCT
admet-794	271	1	the	the	DET
admet-794	271	2	relative	relative	ADJ
admet-794	271	3	accuracy	accuracy	NOUN
admet-794	271	4	of	of	ADP
admet-794	271	5	the	the	DET
admet-794	271	6	prediction	prediction	NOUN
admet-794	271	7	(	(	PUNCT
admet-794	271	8	r2	r2	NOUN
admet-794	271	9	=	=	NOUN
admet-794	271	10	0.42	0.42	NUM
admet-794	271	11	,	,	PUNCT
admet-794	271	12	rmse	rmse	NOUN
admet-794	271	13	=	=	SYM
admet-794	271	14	1.06	1.06	NUM
admet-794	271	15	log	log	NOUN
admet-794	271	16	,	,	PUNCT
admet-794	271	17	mpp	mpp	NOUN
admet-794	271	18	=	=	SYM
admet-794	271	19	42	42	NUM
admet-794	271	20	%	%	NOUN
admet-794	271	21	)	)	PUNCT
admet-794	271	22	evidently	evidently	ADV
admet-794	271	23	exceeds	exceed	VERB
admet-794	271	24	that	that	PRON
admet-794	271	25	of	of	ADP
admet-794	271	26	the	the	DET
admet-794	271	27	gse	gse	PROPN
admet-794	271	28	and	and	CCONJ
admet-794	271	29	absolv	absolv	ADJ
admet-794	271	30	methods	method	NOUN
admet-794	271	31	(	(	PUNCT
admet-794	271	32	predictive	predictive	ADJ
admet-794	271	33	r2	r2	NOUN
admet-794	271	34	=	=	SYM
admet-794	271	35	0	0	NUM
admet-794	271	36	and	and	CCONJ
admet-794	271	37	rmse	rmse	PROPN
admet-794	271	38	>	>	X
admet-794	271	39	2	2	NUM
admet-794	271	40	log	log	NOUN
admet-794	271	41	)	)	PUNCT
admet-794	271	42	.	.	PUNCT
admet-794	272	1	to	to	ADP
admet-794	272	2	wit	wit	NOUN
admet-794	272	3	,	,	PUNCT
admet-794	272	4	small	small	ADJ
admet-794	272	5	molecules	molecule	NOUN
admet-794	272	6	in	in	ADP
admet-794	272	7	the	the	DET
admet-794	272	8	training	training	NOUN
admet-794	272	9	set	set	NOUN
admet-794	272	10	provide	provide	VERB
admet-794	272	11	enough	enough	ADJ
admet-794	272	12	subtle	subtle	ADJ
admet-794	272	13	‘	'	PUNCT
admet-794	272	14	clues	clue	NOUN
admet-794	272	15	’	'	PUNCT
admet-794	272	16	for	for	SCONJ
admet-794	272	17	the	the	DET
admet-794	272	18	method	method	NOUN
admet-794	272	19	to	to	PART
admet-794	272	20	extract	extract	VERB
admet-794	272	21	a	a	DET
admet-794	272	22	sensibly	sensibly	ADV
admet-794	272	23	accurate	accurate	ADJ
admet-794	272	24	prediction	prediction	NOUN
admet-794	272	25	of	of	ADP
admet-794	272	26	big	big	ADJ
admet-794	272	27	-	-	PUNCT
admet-794	272	28	molecule	molecule	NOUN
admet-794	272	29	solubility	solubility	NOUN
admet-794	272	30	.	.	PUNCT
admet-794	273	1	the	the	DET
admet-794	273	2	most	most	ADV
admet-794	273	3	important	important	ADJ
admet-794	273	4	descriptors	descriptor	NOUN
admet-794	273	5	(	(	PUNCT
admet-794	273	6	rdkit	rdkit	ADJ
admet-794	273	7	terminology	terminology	NOUN
admet-794	273	8	–	–	PUNCT
admet-794	273	9	cf	cf	NOUN
admet-794	273	10	.	.	PUNCT
admet-794	273	11	abbreviations	abbreviation	NOUN
admet-794	273	12	and	and	CCONJ
admet-794	273	13	definitions	definition	NOUN
admet-794	273	14	)	)	PUNCT
admet-794	273	15	were	be	AUX
admet-794	273	16	found	find	VERB
admet-794	273	17	to	to	PART
admet-794	273	18	be	be	AUX
admet-794	273	19	mollogp	mollogp	NOUN
admet-794	273	20	>	>	X
admet-794	273	21	>	>	X
admet-794	273	22	molmr	molmr	PROPN
admet-794	273	23	>	>	X
admet-794	273	24	ipc	ipc	PROPN
admet-794	273	25	>	>	X
admet-794	273	26	>	>	X
admet-794	273	27	labuteasa	labuteasa	PROPN
admet-794	273	28	>	>	X
admet-794	273	29	bertzct	bertzct	PROPN
admet-794	273	30	>	>	X
admet-794	273	31	heavyatommolwt	heavyatommolwt	PROPN
admet-794	273	32	>	>	X
admet-794	273	33	molwt	molwt	ADV
admet-794	273	34	>	>	X
admet-794	273	35	chi1	chi1	PROPN
admet-794	273	36	>	>	PUNCT
admet-794	273	37	smr_vsa7	smr_vsa7	PROPN
admet-794	273	38	>	>	X
admet-794	273	39	mp	mp	PROPN
admet-794	273	40	>	>	X
admet-794	273	41	chi0v	chi0v	PROPN
admet-794	273	42	>	>	X
admet-794	273	43	smr_vsa10	smr_vsa10	PROPN
admet-794	273	44	>	>	X
admet-794	273	45	peoe_vsa7	peoe_vsa7	PROPN
admet-794	273	46	>	>	X
admet-794	273	47	fr_benzene	fr_benzene	PROPN
admet-794	273	48	>	>	X
admet-794	273	49	chi1v	chi1v	PROPN
admet-794	273	50	>	>	X
admet-794	273	51	e	e	X
admet-794	273	52	>	>	X
admet-794	273	53	chi4v	chi4v	PROPN
admet-794	273	54	>	>	X
admet-794	273	55	b.	b.	PROPN
admet-794	274	1	some	some	PRON
admet-794	274	2	of	of	ADP
admet-794	274	3	these	these	PRON
admet-794	274	4	are	be	AUX
admet-794	274	5	highly	highly	ADV
admet-794	274	6	intercorrelated	intercorrelate	VERB
admet-794	274	7	.	.	PUNCT
admet-794	275	1	there	there	PRON
admet-794	275	2	were	be	VERB
admet-794	275	3	additional	additional	ADJ
admet-794	275	4	~100	~100	NUM
admet-794	275	5	descriptors	descriptor	NOUN
admet-794	275	6	that	that	PRON
admet-794	275	7	played	play	VERB
admet-794	275	8	lesser	less	ADJ
admet-794	275	9	and	and	CCONJ
admet-794	275	10	somewhat	somewhat	ADV
admet-794	275	11	hidden	hide	VERB
admet-794	275	12	roles	role	NOUN
admet-794	275	13	.	.	PUNCT
admet-794	276	1	in	in	ADP
admet-794	276	2	rfr	rfr	PROPN
admet-794	276	3	,	,	PUNCT
admet-794	276	4	relationships	relationship	NOUN
admet-794	276	5	between	between	ADP
admet-794	276	6	descriptors	descriptor	NOUN
admet-794	276	7	and	and	CCONJ
admet-794	276	8	the	the	DET
admet-794	276	9	model	model	NOUN
admet-794	276	10	are	be	AUX
admet-794	276	11	difficult	difficult	ADJ
admet-794	276	12	to	to	PART
admet-794	276	13	extract	extract	VERB
admet-794	276	14	,	,	PUNCT
admet-794	276	15	and	and	CCONJ
admet-794	276	16	the	the	DET
admet-794	276	17	influence	influence	NOUN
admet-794	276	18	of	of	ADP
admet-794	276	19	each	each	DET
admet-794	276	20	compound	compound	NOUN
admet-794	276	21	property	property	NOUN
admet-794	276	22	on	on	ADP
admet-794	276	23	calculated	calculate	VERB
admet-794	276	24	solubility	solubility	NOUN
admet-794	276	25	can	can	AUX
admet-794	276	26	not	not	PART
admet-794	276	27	be	be	AUX
admet-794	276	28	readily	readily	ADV
admet-794	276	29	deduced	deduce	VERB
admet-794	276	30	[	[	X
admet-794	276	31	98	98	NUM
admet-794	276	32	]	]	PUNCT
admet-794	276	33	.	.	PUNCT
admet-794	277	1	a	a	DET
admet-794	277	2	major	major	ADJ
admet-794	277	3	disadvantage	disadvantage	NOUN
admet-794	277	4	to	to	ADP
admet-794	277	5	a	a	DET
admet-794	277	6	medicinal	medicinal	ADJ
admet-794	277	7	chemist	chemist	NOUN
admet-794	277	8	is	be	AUX
admet-794	277	9	that	that	SCONJ
admet-794	277	10	the	the	DET
admet-794	277	11	rfr	rfr	PROPN
admet-794	277	12	result	result	NOUN
admet-794	277	13	does	do	AUX
admet-794	277	14	not	not	PART
admet-794	277	15	directly	directly	ADV
admet-794	277	16	suggest	suggest	VERB
admet-794	277	17	how	how	SCONJ
admet-794	277	18	compounds	compound	NOUN
admet-794	277	19	could	could	AUX
admet-794	277	20	be	be	AUX
admet-794	277	21	altered	alter	VERB
admet-794	277	22	to	to	PART
admet-794	277	23	increase	increase	VERB
admet-794	277	24	/	/	SYM
admet-794	277	25	decrease	decrease	VERB
admet-794	277	26	their	their	PRON
admet-794	277	27	solubility	solubility	NOUN
admet-794	277	28	.	.	PUNCT
admet-794	278	1	unlike	unlike	ADP
admet-794	278	2	the	the	DET
admet-794	278	3	intuitive	intuitive	ADJ
admet-794	278	4	and	and	CCONJ
admet-794	278	5	appealing	appealing	ADJ
admet-794	278	6	descriptors	descriptor	NOUN
admet-794	278	7	in	in	ADP
admet-794	278	8	gse	gse	PROPN
admet-794	278	9	and	and	CCONJ
admet-794	278	10	absolv	absolv	NOUN
admet-794	278	11	,	,	PUNCT
admet-794	278	12	many	many	ADJ
admet-794	278	13	of	of	ADP
admet-794	278	14	the	the	DET
admet-794	278	15	rdkit	rdkit	ADJ
admet-794	278	16	descriptors	descriptor	NOUN
admet-794	278	17	used	use	VERB
admet-794	278	18	are	be	AUX
admet-794	278	19	more	more	ADV
admet-794	278	20	abstract	abstract	ADJ
admet-794	278	21	and	and	CCONJ
admet-794	278	22	not	not	PART
admet-794	278	23	easy	easy	ADJ
admet-794	278	24	to	to	PART
admet-794	278	25	interpret	interpret	VERB
admet-794	278	26	regardless	regardless	ADV
admet-794	278	27	of	of	ADP
admet-794	278	28	the	the	DET
admet-794	278	29	modeling	modeling	NOUN
admet-794	278	30	method	method	NOUN
admet-794	278	31	[	[	X
admet-794	278	32	99	99	NUM
admet-794	278	33	]	]	PUNCT
admet-794	278	34	.	.	PUNCT
admet-794	279	1	solubility	solubility	NOUN
admet-794	279	2	enhancement	enhancement	NOUN
admet-794	279	3	–	–	PUNCT
admet-794	279	4	big	big	ADJ
admet-794	279	5	molecules	molecule	NOUN
admet-794	279	6	(	(	PUNCT
admet-794	279	7	sebm	sebm	NOUN
admet-794	279	8	)	)	PUNCT
admet-794	279	9	table	table	NOUN
admet-794	279	10	2	2	NUM
admet-794	279	11	lists	list	VERB
admet-794	279	12	the	the	DET
admet-794	279	13	calculated	calculate	VERB
admet-794	279	14	log	log	NOUN
admet-794	279	15	s0	s0	NOUN
admet-794	279	16	values	value	NOUN
admet-794	279	17	of	of	ADP
admet-794	279	18	the	the	DET
admet-794	279	19	big	big	ADJ
admet-794	279	20	molecules	molecule	NOUN
admet-794	279	21	.	.	PUNCT
admet-794	280	1	the	the	DET
admet-794	280	2	last	last	ADJ
admet-794	280	3	column	column	NOUN
admet-794	280	4	lists	list	VERB
admet-794	280	5	the	the	DET
admet-794	280	6	‘	'	PUNCT
admet-794	280	7	solubility	solubility	NOUN
admet-794	280	8	enhancement	enhancement	NOUN
admet-794	280	9	–	–	PUNCT
admet-794	280	10	big	big	ADJ
admet-794	280	11	molecules	molecule	NOUN
admet-794	280	12	’	'	PUNCT
admet-794	280	13	–	–	PUNCT
admet-794	280	14	the	the	DET
admet-794	280	15	ratio	ratio	NOUN
admet-794	280	16	of	of	ADP
admet-794	280	17	the	the	DET
admet-794	280	18	observed	observed	ADJ
admet-794	280	19	s0	s0	NOUN
admet-794	280	20	to	to	ADP
admet-794	280	21	that	that	PRON
admet-794	280	22	calculated	calculate	VERB
admet-794	280	23	by	by	ADP
admet-794	280	24	the	the	DET
admet-794	280	25	absolv	absolv	ADJ
admet-794	280	26	approach	approach	NOUN
admet-794	280	27	(	(	PUNCT
admet-794	280	28	cf	cf	NOUN
admet-794	280	29	.	.	NOUN
admet-794	280	30	,	,	PUNCT
admet-794	280	31	eq	eq	NOUN
admet-794	280	32	.	.	PROPN
admet-794	280	33	7	7	NUM
admet-794	280	34	)	)	PUNCT
admet-794	280	35	.	.	PUNCT
admet-794	281	1	the	the	DET
admet-794	281	2	scale	scale	NOUN
admet-794	281	3	quantifies	quantify	VERB
admet-794	281	4	the	the	DET
admet-794	281	5	big	big	ADJ
admet-794	281	6	-	-	PUNCT
admet-794	281	7	molecule	molecule	NOUN
admet-794	281	8	solubility	solubility	NOUN
admet-794	281	9	enhancement	enhancement	NOUN
admet-794	281	10	not	not	PART
admet-794	281	11	predicted	predict	VERB
admet-794	281	12	by	by	ADP
admet-794	281	13	small	small	ADJ
admet-794	281	14	molecules	molecule	NOUN
admet-794	281	15	.	.	PUNCT
admet-794	282	1	a	a	DET
admet-794	282	2	similar	similar	ADJ
admet-794	282	3	ratio	ratio	NOUN
admet-794	282	4	using	use	VERB
admet-794	282	5	the	the	DET
admet-794	282	6	classic	classic	ADJ
admet-794	282	7	gse	gse	NOUN
admet-794	282	8	indicates	indicate	VERB
admet-794	282	9	two	two	NUM
admet-794	282	10	zones	zone	NOUN
admet-794	282	11	:	:	PUNCT
admet-794	282	12	(	(	PUNCT
admet-794	282	13	a	a	X
admet-794	282	14	)	)	PUNCT
admet-794	282	15	‘	'	PUNCT
admet-794	282	16	enhancement	enhancement	NOUN
admet-794	282	17	’	'	PUNCT
admet-794	282	18	for	for	ADP
admet-794	282	19	compounds	compound	NOUN
admet-794	282	20	to	to	ADP
admet-794	282	21	the	the	DET
admet-794	282	22	left	left	NOUN
admet-794	282	23	of	of	ADP
admet-794	282	24	the	the	DET
admet-794	282	25	identity	identity	NOUN
admet-794	282	26	diagonal	diagonal	ADJ
admet-794	282	27	line	line	NOUN
admet-794	282	28	in	in	ADP
admet-794	282	29	figure	figure	NOUN
admet-794	282	30	4b	4b	PROPN
admet-794	282	31	,	,	PUNCT
admet-794	282	32	and	and	CCONJ
admet-794	282	33	(	(	PUNCT
admet-794	282	34	b	b	NOUN
admet-794	282	35	)	)	PUNCT
admet-794	282	36	‘	'	PUNCT
admet-794	282	37	attenuation	attenuation	NOUN
admet-794	282	38	’	'	PUNCT
admet-794	282	39	for	for	ADP
admet-794	282	40	compounds	compound	NOUN
admet-794	282	41	to	to	ADP
admet-794	282	42	the	the	DET
admet-794	282	43	right	right	NOUN
admet-794	282	44	of	of	ADP
admet-794	282	45	the	the	DET
admet-794	282	46	line	line	NOUN
admet-794	282	47	.	.	PUNCT
admet-794	283	1	the	the	DET
admet-794	283	2	gse	gse	PROPN
admet-794	283	3	zoning	zoning	NOUN
admet-794	283	4	is	be	AUX
admet-794	283	5	directly	directly	ADV
admet-794	283	6	linked	link	VERB
admet-794	283	7	to	to	ADP
admet-794	283	8	the	the	DET
admet-794	283	9	partition	partition	NOUN
admet-794	283	10	coefficient	coefficient	NOUN
admet-794	283	11	(	(	PUNCT
admet-794	283	12	cf	cf	NOUN
admet-794	283	13	.	.	NOUN
admet-794	283	14	,	,	PUNCT
admet-794	283	15	fig	fig	NOUN
admet-794	283	16	.	.	PUNCT
admet-794	284	1	4c	4c	NOUN
admet-794	284	2	)	)	PUNCT
admet-794	284	3	.	.	PUNCT
admet-794	285	1	the	the	DET
admet-794	285	2	absolv	absolv	NOUN
admet-794	285	3	-	-	PUNCT
admet-794	285	4	based	base	VERB
admet-794	285	5	sebm	sebm	NOUN
admet-794	285	6	assigns	assign	VERB
admet-794	285	7	a	a	DET
admet-794	285	8	unified	unified	ADJ
admet-794	285	9	enhancement	enhancement	NOUN
admet-794	285	10	to	to	ADP
admet-794	285	11	all	all	DET
admet-794	285	12	molecules	molecule	NOUN
admet-794	285	13	,	,	PUNCT
admet-794	285	14	and	and	CCONJ
admet-794	285	15	separately	separately	ADV
admet-794	285	16	addresses	address	VERB
admet-794	285	17	the	the	DET
admet-794	285	18	role	role	NOUN
admet-794	285	19	of	of	ADP
admet-794	285	20	h	h	NOUN
admet-794	285	21	-	-	PUNCT
admet-794	285	22	bonding	bonding	NOUN
admet-794	285	23	and	and	CCONJ
admet-794	285	24	molecular	molecular	ADJ
admet-794	285	25	size	size	NOUN
admet-794	285	26	(	(	PUNCT
admet-794	285	27	as	as	ADV
admet-794	285	28	well	well	ADV
admet-794	285	29	as	as	ADP
admet-794	285	30	the	the	DET
admet-794	285	31	other	other	ADJ
admet-794	285	32	abraham	abraham	PROPN
admet-794	285	33	solvation	solvation	NOUN
admet-794	285	34	descriptors	descriptor	NOUN
admet-794	285	35	)	)	PUNCT
admet-794	285	36	,	,	PUNCT
admet-794	285	37	whereas	whereas	SCONJ
admet-794	285	38	the	the	DET
admet-794	285	39	gse	gse	PROPN
admet-794	285	40	confines	confine	NOUN
admet-794	285	41	the	the	DET
admet-794	285	42	relationship	relationship	NOUN
admet-794	285	43	mainly	mainly	ADV
admet-794	285	44	to	to	ADP
admet-794	285	45	one	one	NUM
admet-794	285	46	descriptor	descriptor	NOUN
admet-794	285	47	–	–	PUNCT
admet-794	285	48	clogp	clogp	ADJ
admet-794	285	49	,	,	PUNCT
admet-794	285	50	whose	whose	DET
admet-794	285	51	value	value	NOUN
admet-794	285	52	may	may	AUX
admet-794	285	53	not	not	PART
admet-794	285	54	be	be	AUX
admet-794	285	55	accurately	accurately	ADV
admet-794	285	56	calculated	calculate	VERB
admet-794	285	57	or	or	CCONJ
admet-794	285	58	measured	measure	VERB
admet-794	285	59	for	for	ADP
admet-794	285	60	large	large	ADJ
admet-794	285	61	molecules	molecule	NOUN
admet-794	285	62	(	(	PUNCT
admet-794	285	63	e.g.	e.g.	ADV
admet-794	285	64	,	,	PUNCT
admet-794	285	65	ubiquinone	ubiquinone	PROPN
admet-794	285	66	)	)	PUNCT
admet-794	285	67	.	.	PUNCT
admet-794	286	1	figure	figure	NOUN
admet-794	286	2	7	7	NUM
admet-794	286	3	is	be	AUX
admet-794	286	4	a	a	DET
admet-794	286	5	plot	plot	NOUN
admet-794	286	6	of	of	ADP
admet-794	286	7	log	log	NOUN
admet-794	286	8	sebm	sebm	NOUN
admet-794	286	9	as	as	ADP
admet-794	286	10	a	a	DET
admet-794	286	11	function	function	NOUN
admet-794	286	12	of	of	ADP
admet-794	286	13	nrot	nrot	NOUN
admet-794	286	14	.	.	PUNCT
admet-794	287	1	although	although	SCONJ
admet-794	287	2	noisy	noisy	ADJ
admet-794	287	3	,	,	PUNCT
admet-794	287	4	a	a	DET
admet-794	287	5	trend	trend	NOUN
admet-794	287	6	is	be	AUX
admet-794	287	7	evident	evident	ADJ
admet-794	287	8	.	.	PUNCT
admet-794	288	1	the	the	DET
admet-794	288	2	unfilled	unfilled	ADJ
admet-794	288	3	circles	circle	NOUN
admet-794	288	4	in	in	ADP
admet-794	288	5	the	the	DET
admet-794	288	6	figure	figure	NOUN
admet-794	288	7	refer	refer	VERB
admet-794	288	8	to	to	ADP
admet-794	288	9	two	two	NUM
admet-794	288	10	external	external	ADJ
admet-794	288	11	test	test	NOUN
admet-794	288	12	compounds	compound	NOUN
admet-794	288	13	,	,	PUNCT
admet-794	288	14	big	big	ADJ
admet-794	288	15	molecules	molecule	NOUN
admet-794	288	16	recently	recently	ADV
admet-794	288	17	approved	approve	VERB
admet-794	288	18	as	as	ADP
admet-794	288	19	drugs	drug	NOUN
admet-794	288	20	:	:	PUNCT
admet-794	288	21	givosiran	givosiran	VERB
admet-794	289	1	[	[	X
admet-794	289	2	100	100	NUM
admet-794	289	3	]	]	PUNCT
admet-794	289	4	and	and	CCONJ
admet-794	289	5	tenapanor	tenapanor	NOUN
admet-794	289	6	[	[	X
admet-794	289	7	101	101	NUM
admet-794	289	8	]	]	PUNCT
admet-794	289	9	,	,	PUNCT
admet-794	289	10	with	with	ADP
admet-794	289	11	mw	mw	PROPN
admet-794	289	12	1711	1711	NUM
admet-794	289	13	and	and	CCONJ
admet-794	289	14	1145	1145	NUM
admet-794	289	15	da	da	NOUN
admet-794	289	16	,	,	PUNCT
admet-794	289	17	respectively	respectively	ADV
admet-794	289	18	.	.	PUNCT
admet-794	290	1	factors	factor	NOUN
admet-794	290	2	that	that	PRON
admet-794	290	3	may	may	AUX
admet-794	290	4	shed	shed	VERB
admet-794	290	5	light	light	NOUN
admet-794	290	6	on	on	ADP
admet-794	290	7	the	the	DET
admet-794	290	8	unusual	unusual	ADJ
admet-794	290	9	intrinsic	intrinsic	ADJ
admet-794	290	10	aqueous	aqueous	ADJ
admet-794	290	11	solubility	solubility	NOUN
admet-794	290	12	of	of	ADP
admet-794	290	13	big	big	ADJ
admet-794	290	14	molecules	molecule	NOUN
admet-794	290	15	lipophilicity	lipophilicity	NOUN
admet-794	290	16	behavior	behavior	NOUN
admet-794	290	17	of	of	ADP
admet-794	290	18	big	big	ADJ
admet-794	290	19	vs.	vs.	ADP
admet-794	290	20	small	small	ADJ
admet-794	290	21	molecules	molecule	NOUN
admet-794	290	22	differs	differ	VERB
admet-794	290	23	from	from	ADP
admet-794	290	24	the	the	DET
admet-794	290	25	gse	gse	PROPN
admet-794	290	26	analysis	analysis	NOUN
admet-794	290	27	,	,	PUNCT
admet-794	290	28	the	the	DET
admet-794	290	29	notable	notable	ADJ
admet-794	290	30	characteristic	characteristic	ADJ
admet-794	290	31	distinguishing	distinguish	VERB
admet-794	290	32	small	small	ADJ
admet-794	290	33	from	from	ADP
admet-794	290	34	big	big	ADJ
admet-794	290	35	molecules	molecule	NOUN
admet-794	290	36	is	be	AUX
admet-794	290	37	the	the	DET
admet-794	290	38	dependence	dependence	NOUN
admet-794	290	39	on	on	ADP
admet-794	290	40	lipophilicity	lipophilicity	NOUN
admet-794	290	41	(	(	PUNCT
admet-794	290	42	fig	fig	NOUN
admet-794	290	43	.	.	PUNCT
admet-794	291	1	2	2	NUM
admet-794	291	2	,	,	PUNCT
admet-794	291	3	eq	eq	NOUN
admet-794	291	4	.	.	PROPN
admet-794	291	5	6b	6b	NUM
admet-794	291	6	)	)	PUNCT
admet-794	291	7	.	.	PUNCT
admet-794	292	1	big	big	ADJ
admet-794	292	2	lipophilic	lipophilic	ADJ
admet-794	292	3	molecules	molecule	NOUN
admet-794	292	4	(	(	PUNCT
admet-794	292	5	ubiquinone	ubiquinone	NOUN
admet-794	292	6	,	,	PUNCT
admet-794	292	7	iodipamide	iodipamide	ADJ
admet-794	292	8	,	,	PUNCT
admet-794	292	9	everolimus	everolimus	ADJ
admet-794	292	10	,	,	PUNCT
admet-794	292	11	telithromycin	telithromycin	PROPN
admet-794	292	12	)	)	PUNCT
admet-794	292	13	are	be	AUX
admet-794	292	14	more	more	ADV
admet-794	292	15	soluble	soluble	ADJ
admet-794	292	16	and	and	CCONJ
admet-794	292	17	big	big	ADJ
admet-794	292	18	hydrophilic	hydrophilic	ADJ
admet-794	292	19	molecules	molecule	NOUN
admet-794	292	20	(	(	PUNCT
admet-794	292	21	oxytocin	oxytocin	PROPN
admet-794	292	22	,	,	PUNCT
admet-794	292	23	stevioside	stevioside	VERB
admet-794	292	24	,	,	PUNCT
admet-794	292	25	nafarelin	nafarelin	NOUN
admet-794	292	26	)	)	PUNCT
admet-794	292	27	are	be	AUX
admet-794	292	28	less	less	ADV
admet-794	292	29	soluble	soluble	ADJ
admet-794	292	30	than	than	SCONJ
admet-794	292	31	predicted	predict	VERB
admet-794	292	32	by	by	ADP
admet-794	292	33	the	the	DET
admet-794	292	34	traditional	traditional	ADJ
admet-794	292	35	gse	gse	NOUN
admet-794	292	36	(	(	PUNCT
admet-794	292	37	cf	cf	NOUN
admet-794	292	38	.	.	NOUN
admet-794	292	39	,	,	PUNCT
admet-794	292	40	fig	fig	NOUN
admet-794	292	41	.	.	PUNCT
admet-794	293	1	4b	4b	PROPN
admet-794	293	2	)	)	PUNCT
admet-794	293	3	.	.	PUNCT
admet-794	294	1	the	the	DET
admet-794	294	2	empirical	empirical	ADJ
admet-794	294	3	eq	eq	X
admet-794	294	4	.	.	PUNCT
admet-794	295	1	(	(	PUNCT
admet-794	295	2	6b	6b	NOUN
admet-794	295	3	)	)	PUNCT
admet-794	295	4	compensates	compensate	NOUN
admet-794	295	5	for	for	ADP
admet-794	295	6	this	this	DET
admet-794	295	7	tilted	tilt	VERB
admet-794	295	8	relationship	relationship	NOUN
admet-794	295	9	with	with	ADP
admet-794	295	10	the	the	DET
admet-794	295	11	less	less	ADV
admet-794	295	12	negative	negative	ADJ
admet-794	295	13	(	(	PUNCT
admet-794	295	14	-0.4	-0.4	NOUN
admet-794	295	15	)	)	PUNCT
admet-794	295	16	clogp	clogp	ADJ
admet-794	295	17	factor	factor	NOUN
admet-794	295	18	and	and	CCONJ
admet-794	295	19	the	the	DET
admet-794	295	20	more	more	ADV
admet-794	295	21	negative	negative	ADJ
admet-794	295	22	intercept	intercept	NOUN
admet-794	295	23	factor	factor	NOUN
admet-794	295	24	(	(	PUNCT
admet-794	295	25	-1.77	-1.77	ADV
admet-794	295	26	)	)	PUNCT
admet-794	295	27	than	than	ADP
admet-794	295	28	those	those	PRON
admet-794	295	29	in	in	ADP
admet-794	295	30	the	the	DET
admet-794	295	31	gse	gse	PROPN
admet-794	295	32	(	(	PUNCT
admet-794	295	33	-1	-1	ADJ
admet-794	295	34	and	and	CCONJ
admet-794	295	35	0.5	0.5	NUM
admet-794	295	36	,	,	PUNCT
admet-794	295	37	resp	resp	NOUN
admet-794	295	38	.	.	PUNCT
admet-794	295	39	)	)	PUNCT
admet-794	295	40	,	,	PUNCT
admet-794	295	41	as	as	SCONJ
admet-794	295	42	illustrated	illustrate	VERB
admet-794	295	43	in	in	ADP
admet-794	295	44	figure	figure	NOUN
admet-794	295	45	4c	4c	NOUN
admet-794	295	46	.	.	PUNCT
admet-794	296	1	the	the	DET
admet-794	296	2	solubility	solubility	NOUN
admet-794	296	3	-	-	PUNCT
admet-794	296	4	partition	partition	NOUN
admet-794	296	5	correlation	correlation	NOUN
admet-794	296	6	using	use	VERB
admet-794	296	7	admet	admet	PROPN
admet-794	296	8	&	&	CCONJ
admet-794	296	9	dmpk	dmpk	PROPN
admet-794	296	10	8(3	8(3	NUM
admet-794	296	11	)	)	PUNCT
admet-794	296	12	(	(	PUNCT
admet-794	296	13	2020	2020	NUM
admet-794	296	14	)	)	PUNCT
admet-794	296	15	180	180	NUM
admet-794	296	16	-	-	SYM
admet-794	296	17	206	206	NUM
admet-794	296	18	can	can	AUX
admet-794	296	19	small	small	ADJ
admet-794	296	20	drugs	drug	NOUN
admet-794	296	21	predict	predict	VERB
admet-794	296	22	log	log	NOUN
admet-794	296	23	s0	s0	PROPN
admet-794	296	24	of	of	ADP
admet-794	296	25	‘	'	PUNCT
admet-794	296	26	beyond	beyond	ADP
admet-794	296	27	rule	rule	NOUN
admet-794	296	28	of	of	ADP
admet-794	296	29	5	5	NUM
admet-794	296	30	’	'	PUNCT
admet-794	296	31	big	big	ADJ
admet-794	296	32	drugs	drug	NOUN
admet-794	296	33	?	?	PUNCT
admet-794	297	1	doi	doi	NOUN
admet-794	297	2	:	:	PUNCT
admet-794	297	3	http://dx.doi.org/10.5599/admet.794	http://dx.doi.org/10.5599/admet.794	ADJ
admet-794	297	4	193	193	NUM
admet-794	297	5	octanol	octanol	NOUN
admet-794	297	6	works	work	VERB
admet-794	297	7	well	well	ADV
admet-794	297	8	for	for	ADP
admet-794	297	9	small	small	ADJ
admet-794	297	10	molecules	molecule	NOUN
admet-794	297	11	,	,	PUNCT
admet-794	297	12	but	but	CCONJ
admet-794	297	13	octanol	octanol	NOUN
admet-794	297	14	does	do	AUX
admet-794	297	15	not	not	PART
admet-794	297	16	appear	appear	VERB
admet-794	297	17	to	to	PART
admet-794	297	18	match	match	VERB
admet-794	297	19	the	the	DET
admet-794	297	20	big	big	ADJ
admet-794	297	21	-	-	PUNCT
admet-794	297	22	molecule	molecule	NOUN
admet-794	297	23	solubilitypartitioning	solubilitypartitione	VERB
admet-794	297	24	behavior	behavior	NOUN
admet-794	297	25	in	in	ADP
admet-794	297	26	the	the	DET
admet-794	297	27	same	same	ADJ
admet-794	297	28	way	way	NOUN
admet-794	297	29	,	,	PUNCT
admet-794	297	30	either	either	CCONJ
admet-794	297	31	because	because	SCONJ
admet-794	297	32	the	the	DET
admet-794	297	33	big	big	ADJ
admet-794	297	34	molecules	molecule	NOUN
admet-794	297	35	are	be	AUX
admet-794	297	36	uncharacteristically	uncharacteristically	ADV
admet-794	297	37	more	more	ADV
admet-794	297	38	soluble	soluble	ADJ
admet-794	297	39	in	in	ADP
admet-794	297	40	water	water	NOUN
admet-794	297	41	(	(	PUNCT
admet-794	297	42	extra	extra	ADV
admet-794	297	43	strong	strong	ADJ
admet-794	297	44	solute	solute	NOUN
admet-794	297	45	-	-	PUNCT
admet-794	297	46	water	water	NOUN
admet-794	297	47	adhesive	adhesive	ADJ
admet-794	297	48	interactions	interaction	NOUN
admet-794	297	49	)	)	PUNCT
admet-794	297	50	and/or	and/or	CCONJ
admet-794	297	51	less	less	ADV
admet-794	297	52	soluble	soluble	ADJ
admet-794	297	53	in	in	ADP
admet-794	297	54	the	the	DET
admet-794	297	55	octanol	octanol	NOUN
admet-794	297	56	phase	phase	NOUN
admet-794	297	57	(	(	PUNCT
admet-794	297	58	extra	extra	ADV
admet-794	297	59	strong	strong	ADJ
admet-794	297	60	solute	solute	NOUN
admet-794	297	61	-	-	PUNCT
admet-794	297	62	solute	solute	ADJ
admet-794	297	63	cohesive	cohesive	ADJ
admet-794	297	64	interactions	interaction	NOUN
admet-794	297	65	)	)	PUNCT
admet-794	297	66	.	.	PUNCT
admet-794	298	1	table	table	NOUN
admet-794	298	2	2	2	NUM
admet-794	298	3	.	.	PUNCT
admet-794	298	4	calculated	calculate	VERB
admet-794	298	5	log	log	NOUN
admet-794	298	6	s0	s0	NOUN
admet-794	298	7	and	and	CCONJ
admet-794	298	8	'	'	PUNCT
admet-794	298	9	solubility	solubility	NOUN
admet-794	298	10	enhancement	enhancement	NOUN
admet-794	298	11	-	-	PUNCT
admet-794	298	12	big	big	ADJ
admet-794	298	13	molecules	molecule	NOUN
admet-794	298	14	'	'	PART
admet-794	298	15	compound	compound	NOUN
admet-794	298	16	obs	obs	PROPN
admet-794	298	17	gse	gse	PROPN
admet-794	298	18	a	a	DET
admet-794	298	19	absolv	absolv	PROPN
admet-794	298	20	b	b	PROPN
admet-794	298	21	rfr	rfr	PROPN
admet-794	298	22	c	c	PROPN
admet-794	298	23	sebm	sebm	VERB
admet-794	298	24	d	d	NOUN
admet-794	298	25	amphotericin	amphotericin	ADP
admet-794	298	26	b	b	PROPN
admet-794	298	27	-3.52	-3.52	PROPN
admet-794	298	28	-1.75	-1.75	PROPN
admet-794	298	29	-4.86	-4.86	PROPN
admet-794	298	30	-3.25	-3.25	NUM
admet-794	298	31	22	22	NUM
admet-794	298	32	anidulafungin	anidulafungin	NOUN
admet-794	298	33	-4.36	-4.36	NUM
admet-794	299	1	-0.82	-0.82	NUM
admet-794	299	2	-7.16	-7.16	PROPN
admet-794	299	3	-4.30	-4.30	NUM
admet-794	299	4	628	628	NUM
admet-794	299	5	bryamycin	bryamycin	NOUN
admet-794	299	6	-4.14	-4.14	NUM
admet-794	299	7	-2.12	-2.12	NUM
admet-794	299	8	-9.33	-9.33	NUM
admet-794	299	9	-3.90	-3.90	NUM
admet-794	299	10	156099	156099	NUM
admet-794	299	11	cyclosporine	cyclosporine	NOUN
admet-794	299	12	a	a	DET
admet-794	299	13	-5.03	-5.03	NUM
admet-794	299	14	-4.03	-4.03	NOUN
admet-794	299	15	-7.12	-7.12	NUM
admet-794	299	16	-4.65	-4.65	NUM
admet-794	299	17	123	123	NUM
admet-794	299	18	dactinomycin	dactinomycin	VERB
admet-794	299	19	-3.22	-3.22	NUM
admet-794	299	20	-2.40	-2.40	PRON
admet-794	299	21	-7.07	-7.07	NOUN
admet-794	299	22	-3.82	-3.82	NOUN
admet-794	299	23	7080	7080	NUM
admet-794	299	24	docetaxel	docetaxel	NOUN
admet-794	299	25	-5.14	-5.14	PROPN
admet-794	299	26	-4.83	-4.83	PROPN
admet-794	299	27	-5.97	-5.97	NOUN
admet-794	299	28	-4.86	-4.86	X
admet-794	299	29	7	7	NUM
admet-794	299	30	everolimus	everolimus	NOUN
admet-794	299	31	-5.02	-5.02	NUM
admet-794	299	32	-6.83	-6.83	INTJ
admet-794	299	33	-7.25	-7.25	PROPN
admet-794	299	34	-5.93	-5.93	NUM
admet-794	299	35	172	172	NUM
admet-794	299	36	gramicidin	gramicidin	ADP
admet-794	299	37	a	a	DET
admet-794	299	38	-4.16	-4.16	PROPN
admet-794	299	39	-5.91	-5.91	X
admet-794	299	40	-14.26	-14.26	PROPN
admet-794	299	41	-6.00	-6.00	X
admet-794	299	42	12667592811	12667592811	NUM
admet-794	299	43	gramicidin	gramicidin	NOUN
admet-794	299	44	s	s	PART
admet-794	299	45	-3.89	-3.89	PROPN
admet-794	299	46	-2.17	-2.17	NUM
admet-794	299	47	-7.20	-7.20	NUM
admet-794	299	48	-3.78	-3.78	NUM
admet-794	299	49	2056	2056	NUM
admet-794	299	50	iodipamide	iodipamide	ADV
admet-794	299	51	-5.47	-5.47	NUM
admet-794	299	52	-9.17	-9.17	PRON
admet-794	299	53	-10.11	-10.11	PROPN
admet-794	299	54	-6.51	-6.51	PROPN
admet-794	299	55	43888	43888	NUM
admet-794	299	56	iodoxamic	iodoxamic	ADJ
admet-794	299	57	acid	acid	NOUN
admet-794	299	58	-5.49	-5.49	PROPN
admet-794	299	59	-7.62	-7.62	NUM
admet-794	299	60	-10.42	-10.42	PUNCT
admet-794	299	61	-5.96	-5.96	NUM
admet-794	299	62	85035	85035	NUM
admet-794	299	63	ivermectin	ivermectin	NOUN
admet-794	299	64	-5.56	-5.56	PRON
admet-794	299	65	-6.25	-6.25	NOUN
admet-794	299	66	-6.48	-6.48	PROPN
admet-794	299	67	-5.92	-5.92	NUM
admet-794	299	68	8	8	NUM
admet-794	299	69	leuprolide	leuprolide	NOUN
admet-794	299	70	-3.15	-3.15	NOUN
admet-794	299	71	0.67	0.67	NUM
admet-794	299	72	-6.89	-6.89	NUM
admet-794	299	73	-3.84	-3.84	NUM
admet-794	299	74	5514	5514	NUM
admet-794	299	75	nafarelin	nafarelin	NOUN
admet-794	299	76	-5.61	-5.61	NUM
admet-794	299	77	0.48	0.48	NUM
admet-794	299	78	-8.73	-8.73	CCONJ
admet-794	299	79	-4.24	-4.24	NUM
admet-794	299	80	1314	1314	NUM
admet-794	299	81	nystatin	nystatin	NOUN
admet-794	299	82	-4.10	-4.10	ADP
admet-794	299	83	-1.89	-1.89	NUM
admet-794	299	84	-4.84	-4.84	NUM
admet-794	299	85	-3.16	-3.16	NOUN
admet-794	299	86	5	5	NUM
admet-794	299	87	oxytocin	oxytocin	NOUN
admet-794	299	88	-1.20	-1.20	NUM
admet-794	299	89	2.72	2.72	NUM
admet-794	299	90	-4.57	-4.57	NUM
admet-794	299	91	-2.87	-2.87	NUM
admet-794	299	92	2350	2350	NUM
admet-794	299	93	paclitaxel	paclitaxel	PROPN
admet-794	299	94	-6.53	-6.53	NUM
admet-794	299	95	-5.15	-5.15	PROPN
admet-794	299	96	-7.00	-7.00	NUM
admet-794	299	97	-5.67	-5.67	NUM
admet-794	299	98	3	3	NUM
admet-794	299	99	paclitaxel	paclitaxel	PROPN
admet-794	299	100	analog12	analog12	VERB
admet-794	299	101	-5.48	-5.48	PROPN
admet-794	299	102	-4.32	-4.32	NUM
admet-794	299	103	-5.97	-5.97	NOUN
admet-794	299	104	-4.84	-4.84	NOUN
admet-794	299	105	3	3	NUM
admet-794	299	106	paclitaxel	paclitaxel	PROPN
admet-794	299	107	analog17	analog17	NOUN
admet-794	299	108	-4.52	-4.52	PROPN
admet-794	299	109	-4.36	-4.36	NUM
admet-794	299	110	-5.44	-5.44	NUM
admet-794	299	111	-4.61	-4.61	NOUN
admet-794	299	112	8	8	NUM
admet-794	299	113	paclitaxel	paclitaxel	VERB
admet-794	299	114	analog23	analog23	NOUN
admet-794	300	1	-5.78	-5.78	PROPN
admet-794	300	2	-4.35	-4.35	PROPN
admet-794	301	1	-5.91	-5.91	NUM
admet-794	301	2	-4.98	-4.98	NUM
admet-794	301	3	1	1	NUM
admet-794	301	4	rapamycin	rapamycin	PROPN
admet-794	301	5	-5.55	-5.55	NUM
admet-794	301	6	-7.27	-7.27	PROPN
admet-794	301	7	-7.09	-7.09	NUM
admet-794	301	8	-6.05	-6.05	NUM
admet-794	301	9	35	35	NUM
admet-794	301	10	rifabutin	rifabutin	NOUN
admet-794	301	11	-4.09	-4.09	PROPN
admet-794	301	12	-5.63	-5.63	PROPN
admet-794	301	13	-6.97	-6.97	NOUN
admet-794	301	14	-5.65	-5.65	ADP
admet-794	301	15	765	765	NUM
admet-794	301	16	rifampicin	rifampicin	VERB
admet-794	301	17	-2.96	-2.96	ADP
admet-794	301	18	-5.23	-5.23	NUM
admet-794	301	19	-6.40	-6.40	DET
admet-794	301	20	-5.47	-5.47	X
admet-794	301	21	2780	2780	NUM
admet-794	301	22	roxithromycin	roxithromycin	NOUN
admet-794	301	23	-3.98	-3.98	NUM
admet-794	301	24	-2.66	-2.66	NUM
admet-794	301	25	-3.74	-3.74	NUM
admet-794	301	26	-3.76	-3.76	PROPN
admet-794	301	27	1	1	NUM
admet-794	301	28	solithromycin	solithromycin	NOUN
admet-794	301	29	-6.23	-6.23	NUM
admet-794	301	30	-5.74	-5.74	VERB
admet-794	301	31	-6.39	-6.39	NUM
admet-794	301	32	-5.76	-5.76	NUM
admet-794	301	33	1	1	NUM
admet-794	301	34	stevioside	stevioside	VERB
admet-794	301	35	-2.83	-2.83	ADV
admet-794	301	36	1.71	1.71	NUM
admet-794	301	37	-3.45	-3.45	NUM
admet-794	301	38	-2.22	-2.22	PRON
admet-794	301	39	4	4	NUM
admet-794	301	40	tacrolimus	tacrolimus	NOUN
admet-794	301	41	-5.42	-5.42	ADJ
admet-794	301	42	-5.15	-5.15	NUM
admet-794	301	43	-6.01	-6.01	NUM
admet-794	301	44	-5.53	-5.53	NOUN
admet-794	301	45	4	4	NUM
admet-794	301	46	telithromycin	telithromycin	NOUN
admet-794	301	47	-3.02	-3.02	NUM
admet-794	301	48	-6.06	-6.06	NUM
admet-794	301	49	-6.15	-6.15	NOUN
admet-794	301	50	-5.50	-5.50	NUM
admet-794	301	51	1340	1340	NUM
admet-794	301	52	temsirolimus	temsirolimus	NOUN
admet-794	301	53	-5.06	-5.06	ADP
admet-794	301	54	-6.31	-6.31	NUM
admet-794	301	55	-7.54	-7.54	PROPN
admet-794	301	56	-5.97	-5.97	NOUN
admet-794	301	57	301	301	NUM
admet-794	301	58	ubiquinone	ubiquinone	PROPN
admet-794	301	59	-7.56	-7.56	PROPN
admet-794	301	60	-17.58	-17.58	PROPN
admet-794	301	61	-10.60	-10.60	PROPN
admet-794	301	62	-6.59	-6.59	NUM
admet-794	301	63	1102	1102	NUM
admet-794	301	64	vancomycin	vancomycin	PROPN
admet-794	302	1	-2.13	-2.13	PRON
admet-794	302	2	-1.11	-1.11	PROPN
admet-794	302	3	-6.97	-6.97	NOUN
admet-794	302	4	-4.01	-4.01	NOUN
admet-794	302	5	69548	69548	NUM
admet-794	302	6	a	a	DET
admet-794	302	7	calculated	calculate	VERB
admet-794	302	8	log	log	NOUN
admet-794	302	9	s0	s0	NOUN
admet-794	302	10	in	in	ADP
admet-794	302	11	fig	fig	NOUN
admet-794	302	12	.	.	PUNCT
admet-794	303	1	4b	4b	PROPN
admet-794	303	2	.	.	PUNCT
admet-794	304	1	b	b	PROPN
admet-794	304	2	calculated	calculate	VERB
admet-794	304	3	log	log	NOUN
admet-794	304	4	s0	s0	PROPN
admet-794	304	5	in	in	ADP
admet-794	304	6	fig	fig	NOUN
admet-794	304	7	.	.	PUNCT
admet-794	305	1	5b	5b	NUM
admet-794	305	2	.	.	PUNCT
admet-794	306	1	c	c	NOUN
admet-794	306	2	calculated	calculate	VERB
admet-794	306	3	log	log	NOUN
admet-794	306	4	s0	s0	PROPN
admet-794	306	5	in	in	ADP
admet-794	306	6	fig	fig	NOUN
admet-794	306	7	.	.	PUNCT
admet-794	307	1	6c	6c	NOUN
admet-794	307	2	.	.	PUNCT
admet-794	308	1	d	d	PROPN
admet-794	308	2	observed	observe	VERB
admet-794	308	3	s0	s0	NOUN
admet-794	308	4	divided	divide	VERB
admet-794	308	5	by	by	ADP
admet-794	308	6	the	the	DET
admet-794	308	7	value	value	NOUN
admet-794	308	8	calculated	calculate	VERB
admet-794	308	9	in	in	ADP
admet-794	308	10	absolv	absolv	ADJ
admet-794	308	11	analysis	analysis	NOUN
admet-794	308	12	:	:	PUNCT
admet-794	308	13	sebm	sebm	X
admet-794	308	14	=	=	SYM
admet-794	308	15	s0	s0	PROPN
admet-794	308	16	obs	obs	PROPN
admet-794	308	17	/s0	/s0	PROPN
admet-794	308	18	absolv	absolv	PROPN
admet-794	308	19	.	.	PUNCT
admet-794	309	1	ermondi	ermondi	PROPN
admet-794	309	2	et	et	PROPN
admet-794	309	3	al	al	PROPN
admet-794	309	4	.	.	PUNCT
admet-794	310	1	[	[	X
admet-794	310	2	27,28	27,28	X
admet-794	310	3	]	]	X
admet-794	310	4	estimated	estimate	VERB
admet-794	310	5	lipophilicity	lipophilicity	NOUN
admet-794	310	6	of	of	ADP
admet-794	310	7	nine	nine	NUM
admet-794	310	8	bro5	bro5	NOUN
admet-794	310	9	drugs	drug	NOUN
admet-794	310	10	using	use	VERB
admet-794	310	11	the	the	DET
admet-794	310	12	well	well	ADV
admet-794	310	13	-	-	PUNCT
admet-794	310	14	tested	test	VERB
admet-794	310	15	small	small	ADJ
admet-794	310	16	-	-	PUNCT
admet-794	310	17	molecule	molecule	NOUN
admet-794	310	18	elogp	elogp	NOUN
admet-794	310	19	and	and	CCONJ
admet-794	310	20	the	the	DET
admet-794	310	21	new	new	ADJ
admet-794	310	22	‘	'	PUNCT
admet-794	310	23	block	block	NOUN
admet-794	310	24	relevance	relevance	NOUN
admet-794	310	25	’	'	PUNCT
admet-794	310	26	brlogp	brlogp	VERB
admet-794	310	27	chromatographic	chromatographic	ADJ
admet-794	310	28	methods	method	NOUN
admet-794	310	29	,	,	PUNCT
admet-794	310	30	to	to	PART
admet-794	310	31	investigate	investigate	VERB
admet-794	310	32	the	the	DET
admet-794	310	33	role	role	NOUN
admet-794	310	34	played	play	VERB
admet-794	310	35	by	by	ADP
admet-794	310	36	molecular	molecular	ADJ
admet-794	310	37	flexibility	flexibility	NOUN
admet-794	310	38	.	.	PUNCT
admet-794	311	1	they	they	PRON
admet-794	311	2	also	also	ADV
admet-794	311	3	subjected	subject	VERB
admet-794	311	4	the	the	DET
admet-794	311	5	molecules	molecule	NOUN
admet-794	311	6	to	to	ADP
admet-794	311	7	conformational	conformational	ADJ
admet-794	311	8	analysis	analysis	NOUN
admet-794	311	9	,	,	PUNCT
admet-794	311	10	in	in	ADP
admet-794	311	11	order	order	NOUN
admet-794	311	12	to	to	PART
admet-794	311	13	calculate	calculate	VERB
admet-794	311	14	lipophilicity	lipophilicity	NOUN
admet-794	311	15	of	of	ADP
admet-794	311	16	various	various	ADJ
admet-794	311	17	conformers	conformer	NOUN
admet-794	311	18	.	.	PUNCT
admet-794	312	1	elogp	elogp	NOUN
admet-794	312	2	chromatographic	chromatographic	ADJ
admet-794	312	3	method	method	NOUN
admet-794	312	4	appeared	appear	VERB
admet-794	312	5	to	to	PART
admet-794	312	6	provide	provide	VERB
admet-794	312	7	an	an	DET
admet-794	312	8	environment	environment	NOUN
admet-794	312	9	in	in	ADP
admet-794	312	10	which	which	PRON
admet-794	312	11	flexible	flexible	ADJ
admet-794	312	12	compounds	compound	NOUN
admet-794	312	13	are	be	AUX
admet-794	312	14	driven	drive	VERB
admet-794	312	15	to	to	PART
admet-794	312	16	assume	assume	VERB
admet-794	312	17	a	a	DET
admet-794	312	18	more	more	ADV
admet-794	312	19	‘	'	PUNCT
admet-794	312	20	folded	folded	ADJ
admet-794	312	21	’	'	PUNCT
admet-794	312	22	apolar	apolar	ADJ
admet-794	312	23	conformation	conformation	NOUN
admet-794	312	24	(	(	PUNCT
admet-794	312	25	as	as	SCONJ
admet-794	312	26	expected	expect	VERB
admet-794	312	27	in	in	ADP
admet-794	312	28	octanol	octanol	NOUN
admet-794	312	29	)	)	PUNCT
admet-794	312	30	,	,	PUNCT
admet-794	312	31	whereas	whereas	SCONJ
admet-794	312	32	the	the	DET
admet-794	312	33	brlogp	brlogp	PROPN
admet-794	312	34	method	method	NOUN
admet-794	312	35	favored	favor	VERB
admet-794	312	36	an	an	DET
admet-794	312	37	‘	'	PUNCT
admet-794	312	38	extended	extended	ADJ
admet-794	312	39	’	'	PUNCT
admet-794	312	40	polar	polar	ADJ
admet-794	312	41	conformation	conformation	NOUN
admet-794	312	42	for	for	ADP
admet-794	312	43	such	such	ADJ
admet-794	312	44	molecules	molecule	NOUN
admet-794	312	45	(	(	PUNCT
admet-794	312	46	as	as	SCONJ
admet-794	312	47	expected	expect	VERB
admet-794	312	48	in	in	ADP
admet-794	312	49	water	water	NOUN
admet-794	312	50	)	)	PUNCT
admet-794	312	51	.	.	PUNCT
admet-794	313	1	lipophilicity	lipophilicity	NOUN
admet-794	313	2	of	of	ADP
admet-794	313	3	bro5	bro5	NOUN
admet-794	313	4	compounds	compound	NOUN
admet-794	313	5	strongly	strongly	ADV
admet-794	313	6	depends	depend	VERB
admet-794	313	7	on	on	ADP
admet-794	313	8	their	their	PRON
admet-794	313	9	chameleonic	chameleonic	ADJ
admet-794	313	10	properties	property	NOUN
admet-794	313	11	:	:	PUNCT
admet-794	313	12	closed	close	VERB
admet-794	313	13	form	form	NOUN
admet-794	313	14	preferred	prefer	VERB
admet-794	313	15	in	in	ADP
admet-794	313	16	apolar	apolar	ADJ
admet-794	313	17	environments	environment	NOUN
admet-794	313	18	and	and	CCONJ
admet-794	313	19	open	open	ADJ
admet-794	313	20	form	form	NOUN
admet-794	313	21	in	in	ADP
admet-794	313	22	aqueous	aqueous	ADJ
admet-794	313	23	media	medium	NOUN
admet-794	313	24	.	.	PUNCT
admet-794	314	1	it	it	PRON
admet-794	314	2	is	be	AUX
admet-794	314	3	suggested	suggest	VERB
admet-794	314	4	that	that	SCONJ
admet-794	314	5	a	a	DET
admet-794	314	6	nonhttp://dx.doi.org/10.5599/admet.794	nonhttp://dx.doi.org/10.5599/admet.794	ADJ
admet-794	314	7	alex	alex	PROPN
admet-794	314	8	avdeef	avdeef	PROPN
admet-794	314	9	and	and	CCONJ
admet-794	314	10	manfred	manfred	PROPN
admet-794	314	11	kansy	kansy	PROPN
admet-794	314	12	admet	admet	PROPN
admet-794	314	13	&	&	CCONJ
admet-794	314	14	dmpk	dmpk	PROPN
admet-794	314	15	8(3	8(3	NUM
admet-794	314	16	)	)	PUNCT
admet-794	314	17	(	(	PUNCT
admet-794	314	18	2020	2020	NUM
admet-794	314	19	)	)	PUNCT
admet-794	314	20	180	180	NUM
admet-794	314	21	-	-	SYM
admet-794	314	22	206	206	NUM
admet-794	314	23	194	194	NUM
admet-794	314	24	traditional	traditional	ADJ
admet-794	314	25	lipophilicity	lipophilicity	NOUN
admet-794	314	26	scale	scale	NOUN
admet-794	314	27	is	be	AUX
admet-794	314	28	needed	need	VERB
admet-794	314	29	for	for	ADP
admet-794	314	30	many	many	ADJ
admet-794	314	31	bro5	bro5	NOUN
admet-794	314	32	compounds	compound	NOUN
admet-794	314	33	,	,	PUNCT
admet-794	314	34	which	which	PRON
admet-794	314	35	takes	take	VERB
admet-794	314	36	into	into	ADP
admet-794	314	37	account	account	NOUN
admet-794	314	38	the	the	DET
admet-794	314	39	solute	solute	ADJ
admet-794	314	40	conformational	conformational	ADJ
admet-794	314	41	flexibility	flexibility	NOUN
admet-794	314	42	and	and	CCONJ
admet-794	314	43	the	the	DET
admet-794	314	44	polarity	polarity	NOUN
admet-794	314	45	of	of	ADP
admet-794	314	46	the	the	DET
admet-794	314	47	dissolution	dissolution	NOUN
admet-794	314	48	media	medium	NOUN
admet-794	315	1	[	[	X
admet-794	315	2	27,28	27,28	NUM
admet-794	315	3	]	]	X
admet-794	315	4	.	.	PUNCT
admet-794	316	1	figure	figure	NOUN
admet-794	316	2	7	7	NUM
admet-794	316	3	.	.	PUNCT
admet-794	317	1	logarithm	logarithm	NOUN
admet-794	317	2	of	of	ADP
admet-794	317	3	the	the	DET
admet-794	317	4	solubility	solubility	NOUN
admet-794	317	5	enhancement	enhancement	NOUN
admet-794	317	6	–	–	PUNCT
admet-794	317	7	big	big	ADJ
admet-794	317	8	molecules	molecule	NOUN
admet-794	317	9	as	as	ADP
admet-794	317	10	a	a	DET
admet-794	317	11	function	function	NOUN
admet-794	317	12	of	of	ADP
admet-794	317	13	the	the	DET
admet-794	317	14	number	number	NOUN
admet-794	317	15	of	of	ADP
admet-794	317	16	rotatable	rotatable	ADJ
admet-794	317	17	bonds	bond	NOUN
admet-794	317	18	:	:	PUNCT
admet-794	317	19	log	log	VERB
admet-794	317	20	sebm	sebm	NOUN
admet-794	317	21	=	=	PUNCT
admet-794	317	22	log	log	NOUN
admet-794	317	23	s0	s0	PROPN
admet-794	317	24	obs	obs	PROPN
admet-794	317	25	–	–	PUNCT
admet-794	317	26	log	log	NOUN
admet-794	317	27	s0	s0	PROPN
admet-794	317	28	absolv	absolv	PROPN
admet-794	317	29	.	.	PUNCT
admet-794	318	1	crystal	crystal	NOUN
admet-794	318	2	structures	structure	NOUN
admet-794	318	3	of	of	ADP
admet-794	318	4	the	the	DET
admet-794	318	5	big	big	ADJ
admet-794	318	6	molecules	molecule	NOUN
admet-794	318	7	and	and	CCONJ
admet-794	318	8	their	their	PRON
admet-794	318	9	‘	'	PUNCT
admet-794	318	10	hydration	hydration	NOUN
admet-794	318	11	’	'	PUNCT
admet-794	318	12	in	in	ADP
admet-794	318	13	the	the	DET
admet-794	318	14	solid	solid	ADJ
admet-794	318	15	state	state	NOUN
admet-794	318	16	the	the	DET
admet-794	318	17	appendix	appendix	PROPN
admet-794	318	18	shows	show	VERB
admet-794	318	19	the	the	DET
admet-794	318	20	2d	2d	NUM
admet-794	318	21	structures	structure	NOUN
admet-794	318	22	of	of	ADP
admet-794	318	23	the	the	DET
admet-794	318	24	big	big	ADJ
admet-794	318	25	molecules	molecule	NOUN
admet-794	318	26	selected	select	VERB
admet-794	318	27	for	for	ADP
admet-794	318	28	the	the	DET
admet-794	318	29	study	study	NOUN
admet-794	318	30	.	.	PUNCT
admet-794	319	1	many	many	ADJ
admet-794	319	2	of	of	ADP
admet-794	319	3	these	these	PRON
admet-794	319	4	are	be	AUX
admet-794	319	5	derived	derive	VERB
admet-794	319	6	from	from	ADP
admet-794	319	7	natural	natural	ADJ
admet-794	319	8	products	product	NOUN
admet-794	319	9	,	,	PUNCT
admet-794	319	10	possessing	possess	VERB
admet-794	319	11	flexible	flexible	ADJ
admet-794	319	12	cyclic	cyclic	NOUN
admet-794	319	13	and	and	CCONJ
admet-794	319	14	polycyclic	polycyclic	NOUN
admet-794	319	15	components	component	NOUN
admet-794	319	16	in	in	ADP
admet-794	319	17	there	there	PRON
admet-794	319	18	structures	structure	NOUN
admet-794	319	19	.	.	PUNCT
admet-794	320	1	the	the	DET
admet-794	320	2	crystal	crystal	NOUN
admet-794	320	3	structures	structure	NOUN
admet-794	320	4	of	of	ADP
admet-794	320	5	only	only	ADV
admet-794	320	6	about	about	ADP
admet-794	320	7	half	half	NOUN
admet-794	320	8	of	of	ADP
admet-794	320	9	these	these	DET
admet-794	320	10	molecules	molecule	NOUN
admet-794	320	11	have	have	AUX
admet-794	320	12	been	be	AUX
admet-794	320	13	deposited	deposit	VERB
admet-794	320	14	in	in	ADP
admet-794	320	15	the	the	DET
admet-794	320	16	cambridge	cambridge	PROPN
admet-794	320	17	crystallographic	crystallographic	PROPN
admet-794	320	18	data	data	PROPN
admet-794	320	19	centre	centre	PROPN
admet-794	320	20	(	(	PUNCT
admet-794	320	21	ccdc	ccdc	PROPN
admet-794	320	22	)	)	PUNCT
admet-794	320	23	.	.	PUNCT
admet-794	321	1	in	in	ADP
admet-794	321	2	many	many	ADJ
admet-794	321	3	of	of	ADP
admet-794	321	4	the	the	DET
admet-794	321	5	compounds	compound	NOUN
admet-794	321	6	the	the	DET
admet-794	321	7	crystal	crystal	NOUN
admet-794	321	8	lattices	lattice	NOUN
admet-794	321	9	contain	contain	VERB
admet-794	321	10	internal	internal	ADJ
admet-794	321	11	void	void	ADJ
admet-794	321	12	space	space	NOUN
admet-794	321	13	that	that	PRON
admet-794	321	14	may	may	AUX
admet-794	321	15	be	be	AUX
admet-794	321	16	filled	fill	VERB
admet-794	321	17	non	non	ADJ
admet-794	321	18	-	-	ADJ
admet-794	321	19	stoichiometrically	stoichiometrically	ADV
admet-794	321	20	with	with	ADP
admet-794	321	21	water	water	NOUN
admet-794	321	22	,	,	PUNCT
admet-794	321	23	either	either	CCONJ
admet-794	321	24	fixed	fix	VERB
admet-794	321	25	at	at	ADP
admet-794	321	26	certain	certain	ADJ
admet-794	321	27	positions	position	NOUN
admet-794	321	28	by	by	ADP
admet-794	321	29	h	h	NOUN
admet-794	321	30	-	-	PUNCT
admet-794	321	31	bonds	bond	NOUN
admet-794	321	32	,	,	PUNCT
admet-794	321	33	or	or	CCONJ
admet-794	321	34	mobile	mobile	NOUN
admet-794	321	35	in	in	ADP
admet-794	321	36	channels	channel	NOUN
admet-794	321	37	.	.	PUNCT
admet-794	322	1	there	there	PRON
admet-794	322	2	are	be	VERB
admet-794	322	3	numerous	numerous	ADJ
admet-794	322	4	sites	site	NOUN
admet-794	322	5	with	with	ADP
admet-794	322	6	which	which	DET
admet-794	322	7	water	water	NOUN
admet-794	322	8	could	could	AUX
admet-794	322	9	interact	interact	VERB
admet-794	322	10	by	by	ADP
admet-794	322	11	donating	donate	VERB
admet-794	322	12	h	h	NOUN
admet-794	322	13	-	-	PUNCT
admet-794	322	14	bonds	bond	NOUN
admet-794	322	15	,	,	PUNCT
admet-794	322	16	possibly	possibly	ADV
admet-794	322	17	competing	compete	VERB
admet-794	322	18	with	with	ADP
admet-794	322	19	acceptor	acceptor	NOUN
admet-794	322	20	groups	group	NOUN
admet-794	322	21	in	in	ADP
admet-794	322	22	imhb	imhb	ADJ
admet-794	322	23	networks	network	NOUN
admet-794	322	24	,	,	PUNCT
admet-794	322	25	to	to	PART
admet-794	322	26	form	form	VERB
admet-794	322	27	stoichiometric	stoichiometric	ADJ
admet-794	322	28	hydrates	hydrate	NOUN
admet-794	322	29	.	.	PUNCT
admet-794	323	1	since	since	SCONJ
admet-794	323	2	most	most	ADJ
admet-794	323	3	of	of	ADP
admet-794	323	4	the	the	DET
admet-794	323	5	crystals	crystal	NOUN
admet-794	323	6	chosen	choose	VERB
admet-794	323	7	for	for	ADP
admet-794	323	8	structure	structure	NOUN
admet-794	323	9	determination	determination	NOUN
admet-794	323	10	were	be	AUX
admet-794	323	11	grown	grow	VERB
admet-794	323	12	in	in	ADP
admet-794	323	13	semior	semior	ADJ
admet-794	323	14	non	non	ADJ
admet-794	323	15	-	-	ADJ
admet-794	323	16	aqueous	aqueous	ADJ
admet-794	323	17	media	medium	NOUN
admet-794	323	18	,	,	PUNCT
admet-794	323	19	the	the	DET
admet-794	323	20	reported	report	VERB
admet-794	323	21	x	x	NOUN
admet-794	323	22	-	-	NOUN
admet-794	323	23	ray	ray	NOUN
admet-794	323	24	structure	structure	NOUN
admet-794	323	25	of	of	ADP
admet-794	323	26	the	the	DET
admet-794	323	27	molecules	molecule	NOUN
admet-794	323	28	may	may	AUX
admet-794	323	29	not	not	PART
admet-794	323	30	precisely	precisely	ADV
admet-794	323	31	reflect	reflect	VERB
admet-794	323	32	the	the	DET
admet-794	323	33	conformational	conformational	ADJ
admet-794	323	34	state	state	NOUN
admet-794	323	35	found	find	VERB
admet-794	323	36	in	in	ADP
admet-794	323	37	crystals	crystal	NOUN
admet-794	323	38	under	under	ADP
admet-794	323	39	conditions	condition	NOUN
admet-794	323	40	where	where	SCONJ
admet-794	323	41	they	they	PRON
admet-794	323	42	are	be	AUX
admet-794	323	43	equilibrated	equilibrate	VERB
admet-794	323	44	in	in	ADP
admet-794	323	45	aqueous	aqueous	ADJ
admet-794	323	46	solution	solution	NOUN
admet-794	323	47	,	,	PUNCT
admet-794	323	48	or	or	CCONJ
admet-794	323	49	of	of	ADP
admet-794	323	50	dissolved	dissolve	VERB
admet-794	323	51	molecules	molecule	NOUN
admet-794	323	52	in	in	ADP
admet-794	323	53	their	their	PRON
admet-794	323	54	unhindered	unhindered	ADJ
admet-794	323	55	states	state	NOUN
admet-794	323	56	of	of	ADP
admet-794	323	57	hydration	hydration	NOUN
admet-794	323	58	.	.	PUNCT
admet-794	324	1	in	in	ADP
admet-794	324	2	an	an	DET
admet-794	324	3	exceptional	exceptional	ADJ
admet-794	324	4	study	study	NOUN
admet-794	324	5	,	,	PUNCT
admet-794	324	6	the	the	DET
admet-794	324	7	aqueous	aqueous	ADJ
admet-794	324	8	environment	environment	NOUN
admet-794	324	9	was	be	AUX
admet-794	324	10	well	well	ADV
admet-794	324	11	mimicked	mimicked	ADJ
admet-794	324	12	in	in	ADP
admet-794	324	13	the	the	DET
admet-794	324	14	synchrotron	synchrotron	NOUN
admet-794	324	15	x	x	NOUN
admet-794	324	16	-	-	NOUN
admet-794	324	17	ray	ray	NOUN
admet-794	324	18	determination	determination	NOUN
admet-794	324	19	of	of	ADP
admet-794	324	20	the	the	DET
admet-794	324	21	structure	structure	NOUN
admet-794	324	22	of	of	ADP
admet-794	324	23	the	the	DET
admet-794	324	24	glycopeptide	glycopeptide	NOUN
admet-794	324	25	antibiotic	antibiotic	ADJ
admet-794	324	26	vancomycin	vancomycin	PROPN
admet-794	325	1	[	[	X
admet-794	325	2	102	102	NUM
admet-794	325	3	]	]	PUNCT
admet-794	325	4	.	.	PUNCT
admet-794	326	1	vancomycin	vancomycin	PROPN
admet-794	326	2	crystals	crystal	NOUN
admet-794	326	3	grown	grow	VERB
admet-794	326	4	by	by	ADP
admet-794	326	5	the	the	DET
admet-794	326	6	‘	'	PUNCT
admet-794	326	7	hanging	hang	VERB
admet-794	326	8	drop	drop	NOUN
admet-794	326	9	’	'	PUNCT
admet-794	326	10	method	method	NOUN
admet-794	326	11	were	be	AUX
admet-794	326	12	transferred	transfer	VERB
admet-794	326	13	into	into	ADP
admet-794	326	14	a	a	DET
admet-794	326	15	ph	ph	ADJ
admet-794	326	16	4.6	4.6	NUM
admet-794	326	17	acetate	acetate	NOUN
admet-794	326	18	buffer	buffer	NOUN
admet-794	326	19	solution	solution	NOUN
admet-794	326	20	containing	contain	VERB
admet-794	326	21	2.2	2.2	NUM
admet-794	326	22	m	m	NOUN
admet-794	326	23	nacl	nacl	NOUN
admet-794	326	24	and	and	CCONJ
admet-794	326	25	a	a	DET
admet-794	326	26	cryoprotectant	cryoprotectant	NOUN
admet-794	326	27	solvent	solvent	NOUN
admet-794	326	28	.	.	PUNCT
admet-794	327	1	the	the	DET
admet-794	327	2	suspension	suspension	NOUN
admet-794	327	3	was	be	AUX
admet-794	327	4	then	then	ADV
admet-794	327	5	flash	flash	NOUN
admet-794	327	6	frozen	frozen	ADJ
admet-794	327	7	for	for	ADP
admet-794	327	8	the	the	DET
admet-794	327	9	low	low	ADJ
admet-794	327	10	-	-	PUNCT
admet-794	327	11	temperature	temperature	NOUN
admet-794	327	12	data	datum	NOUN
admet-794	327	13	collection	collection	NOUN
admet-794	327	14	.	.	PUNCT
admet-794	328	1	the	the	DET
admet-794	328	2	crystal	crystal	PROPN
admet-794	328	3	lattice	lattice	PROPN
admet-794	328	4	was	be	AUX
admet-794	328	5	found	find	VERB
admet-794	328	6	to	to	PART
admet-794	328	7	contain	contain	VERB
admet-794	328	8	an	an	DET
admet-794	328	9	h	h	NOUN
admet-794	328	10	-	-	PUNCT
admet-794	328	11	bonded	bond	VERB
admet-794	328	12	dimer	dimer	NOUN
admet-794	328	13	of	of	ADP
admet-794	328	14	vancomycin	vancomycin	PROPN
admet-794	328	15	,	,	PUNCT
admet-794	328	16	2	2	NUM
admet-794	328	17	chlorides	chloride	NOUN
admet-794	328	18	,	,	PUNCT
admet-794	328	19	1	1	NUM
admet-794	328	20	acetate	acetate	NOUN
admet-794	328	21	,	,	PUNCT
admet-794	328	22	and	and	CCONJ
admet-794	328	23	105	105	NUM
admet-794	328	24	solvent	solvent	ADJ
admet-794	328	25	water	water	NOUN
admet-794	328	26	molecules	molecule	NOUN
admet-794	328	27	in	in	ADP
admet-794	328	28	the	the	DET
admet-794	328	29	asymmetric	asymmetric	ADJ
admet-794	328	30	unit	unit	NOUN
admet-794	328	31	.	.	PUNCT
admet-794	329	1	the	the	DET
admet-794	329	2	organization	organization	NOUN
admet-794	329	3	of	of	ADP
admet-794	329	4	the	the	DET
admet-794	329	5	lattice	lattice	PROPN
admet-794	329	6	water	water	NOUN
admet-794	329	7	was	be	AUX
admet-794	329	8	not	not	PART
admet-794	329	9	described	describe	VERB
admet-794	329	10	in	in	ADP
admet-794	329	11	the	the	DET
admet-794	329	12	publication	publication	NOUN
admet-794	329	13	.	.	PUNCT
admet-794	330	1	zografi	zografi	PROPN
admet-794	330	2	and	and	CCONJ
admet-794	330	3	coworkers	coworker	NOUN
admet-794	330	4	have	have	AUX
admet-794	330	5	conducted	conduct	VERB
admet-794	330	6	pioneering	pioneer	VERB
admet-794	330	7	research	research	NOUN
admet-794	330	8	[	[	X
admet-794	330	9	103	103	NUM
admet-794	330	10	-	-	SYM
admet-794	330	11	106	106	NUM
admet-794	330	12	]	]	PUNCT
admet-794	330	13	on	on	ADP
admet-794	330	14	the	the	DET
admet-794	330	15	influence	influence	NOUN
admet-794	330	16	of	of	ADP
admet-794	330	17	adsorbed	adsorb	VERB
admet-794	330	18	and	and	CCONJ
admet-794	330	19	absorbed	absorb	VERB
admet-794	330	20	water	water	NOUN
admet-794	330	21	on	on	ADP
admet-794	330	22	the	the	DET
admet-794	330	23	solid	solid	ADJ
admet-794	330	24	state	state	NOUN
admet-794	330	25	properties	property	NOUN
admet-794	330	26	of	of	ADP
admet-794	330	27	crystalline	crystalline	NOUN
admet-794	330	28	/	/	SYM
admet-794	330	29	amorphous	amorphous	ADJ
admet-794	330	30	solids	solid	NOUN
admet-794	330	31	,	,	PUNCT
admet-794	330	32	including	include	VERB
admet-794	330	33	multicomponent	multicomponent	NOUN
admet-794	330	34	forms	form	NOUN
admet-794	330	35	such	such	ADJ
admet-794	330	36	as	as	ADP
admet-794	330	37	drug	drug	NOUN
admet-794	330	38	salts	salt	NOUN
admet-794	330	39	and	and	CCONJ
admet-794	330	40	cocrystals	cocrystal	NOUN
admet-794	330	41	.	.	PUNCT
admet-794	331	1	the	the	DET
admet-794	331	2	presence	presence	NOUN
admet-794	331	3	of	of	ADP
admet-794	331	4	stoichiometric	stoichiometric	NOUN
admet-794	331	5	/	/	SYM
admet-794	331	6	nonstoichiometric	nonstoichiometric	ADJ
admet-794	331	7	water	water	NOUN
admet-794	331	8	in	in	ADP
admet-794	331	9	admet	admet	PROPN
admet-794	331	10	&	&	CCONJ
admet-794	331	11	dmpk	dmpk	PROPN
admet-794	331	12	8(3	8(3	NUM
admet-794	331	13	)	)	PUNCT
admet-794	331	14	(	(	PUNCT
admet-794	331	15	2020	2020	NUM
admet-794	331	16	)	)	PUNCT
admet-794	331	17	180	180	NUM
admet-794	331	18	-	-	SYM
admet-794	331	19	206	206	NUM
admet-794	331	20	can	can	AUX
admet-794	331	21	small	small	ADJ
admet-794	331	22	drugs	drug	NOUN
admet-794	331	23	predict	predict	VERB
admet-794	331	24	log	log	NOUN
admet-794	331	25	s0	s0	PROPN
admet-794	331	26	of	of	ADP
admet-794	331	27	‘	'	PUNCT
admet-794	331	28	beyond	beyond	ADP
admet-794	331	29	rule	rule	NOUN
admet-794	331	30	of	of	ADP
admet-794	331	31	5	5	NUM
admet-794	331	32	’	'	PUNCT
admet-794	331	33	big	big	ADJ
admet-794	331	34	drugs	drug	NOUN
admet-794	331	35	?	?	PUNCT
admet-794	332	1	doi	doi	NOUN
admet-794	332	2	:	:	PUNCT
admet-794	332	3	http://dx.doi.org/10.5599/admet.794	http://dx.doi.org/10.5599/admet.794	ADJ
admet-794	332	4	195	195	NUM
admet-794	332	5	crystalline	crystalline	ADJ
admet-794	332	6	solids	solid	NOUN
admet-794	332	7	is	be	AUX
admet-794	332	8	expected	expect	VERB
admet-794	332	9	to	to	PART
admet-794	332	10	impact	impact	VERB
admet-794	332	11	the	the	DET
admet-794	332	12	thermodynamic	thermodynamic	ADJ
admet-794	332	13	activity	activity	NOUN
admet-794	332	14	of	of	ADP
admet-794	332	15	the	the	DET
admet-794	332	16	solid	solid	ADJ
admet-794	332	17	and	and	CCONJ
admet-794	332	18	thus	thus	ADV
admet-794	332	19	could	could	AUX
admet-794	332	20	affect	affect	VERB
admet-794	332	21	equilibrium	equilibrium	NOUN
admet-794	332	22	solubility	solubility	NOUN
admet-794	332	23	.	.	PUNCT
admet-794	333	1	enthalpy	enthalpy	NOUN
admet-794	333	2	of	of	ADP
admet-794	333	3	solution	solution	NOUN
admet-794	333	4	of	of	ADP
admet-794	333	5	big	big	ADJ
admet-794	333	6	molecules	molecule	NOUN
admet-794	333	7	is	be	AUX
admet-794	333	8	negative	negative	ADJ
admet-794	333	9	a	a	DET
admet-794	333	10	computational	computational	ADJ
admet-794	333	11	procedure	procedure	NOUN
admet-794	333	12	to	to	PART
admet-794	333	13	normalize	normalize	VERB
admet-794	333	14	solubility	solubility	NOUN
admet-794	333	15	data	datum	NOUN
admet-794	333	16	determined	determine	VERB
admet-794	333	17	at	at	ADP
admet-794	333	18	various	various	ADJ
admet-794	333	19	temperatures	temperature	NOUN
admet-794	333	20	to	to	ADP
admet-794	333	21	values	value	NOUN
admet-794	333	22	at	at	ADP
admet-794	333	23	a	a	DET
admet-794	333	24	‘	'	PUNCT
admet-794	333	25	reference	reference	NOUN
admet-794	333	26	’	'	PUNCT
admet-794	333	27	temperature	temperature	NOUN
admet-794	333	28	(	(	PUNCT
admet-794	333	29	e.g.	e.g.	ADV
admet-794	333	30	,	,	PUNCT
admet-794	333	31	25	25	NUM
admet-794	333	32	°	°	NOUN
admet-794	333	33	c	c	NOUN
admet-794	333	34	)	)	PUNCT
admet-794	333	35	was	be	AUX
admet-794	333	36	recently	recently	ADV
admet-794	333	37	described	describe	VERB
admet-794	333	38	[	[	PUNCT
admet-794	333	39	107	107	NUM
admet-794	333	40	]	]	PUNCT
admet-794	333	41	.	.	PUNCT
admet-794	334	1	the	the	DET
admet-794	334	2	enthalpies	enthalpy	NOUN
admet-794	334	3	of	of	ADP
admet-794	334	4	solution	solution	NOUN
admet-794	334	5	,	,	PUNCT
admet-794	334	6	δhsol	δhsol	NOUN
admet-794	334	7	,	,	PUNCT
admet-794	334	8	were	be	AUX
admet-794	334	9	predicted	predict	VERB
admet-794	334	10	from	from	ADP
admet-794	334	11	2d	2d	NUM
admet-794	334	12	structure	structure	NOUN
admet-794	334	13	,	,	PUNCT
admet-794	334	14	from	from	ADP
admet-794	334	15	which	which	PRON
admet-794	334	16	the	the	DET
admet-794	334	17	temperature	temperature	NOUN
admet-794	334	18	dependence	dependence	NOUN
admet-794	334	19	of	of	ADP
admet-794	334	20	log	log	NOUN
admet-794	334	21	s0	s0	PROPN
admet-794	334	22	is	be	AUX
admet-794	334	23	calculated	calculate	VERB
admet-794	334	24	as	as	ADP
admet-794	334	25	:	:	PUNCT
admet-794	334	26	log	log	VERB
admet-794	334	27	𝑆0	𝑆0	PRON
admet-794	334	28	ref	ref	NOUN
admet-794	334	29	=	=	PRON
admet-794	334	30	log	log	VERB
admet-794	334	31	𝑆0	𝑆0	NOUN
admet-794	334	32	𝑇	𝑇	PROPN
admet-794	334	33	−	−	PROPN
admet-794	334	34	0.175	0.175	NUM
admet-794	335	1	∆𝐻sol	∆𝐻sol	PROPN
admet-794	335	2	∙	∙	PROPN
admet-794	335	3	(	(	PUNCT
admet-794	335	4	1	1	NUM
admet-794	335	5	−	−	PROPN
admet-794	335	6	298.15	298.15	NUM
admet-794	335	7	𝑇	𝑇	PROPN
admet-794	335	8	)	)	PUNCT
admet-794	335	9	(	(	PUNCT
admet-794	335	10	8)	8)	NUM
admet-794	335	11	small	small	ADJ
admet-794	335	12	molecules	molecule	NOUN
admet-794	335	13	,	,	PUNCT
admet-794	335	14	especially	especially	ADV
admet-794	335	15	weak	weak	ADJ
admet-794	335	16	acids	acid	NOUN
admet-794	335	17	,	,	PUNCT
admet-794	335	18	generally	generally	ADV
admet-794	335	19	have	have	VERB
admet-794	335	20	positive	positive	ADJ
admet-794	335	21	enthalpies	enthalpy	NOUN
admet-794	335	22	of	of	ADP
admet-794	335	23	solution	solution	NOUN
admet-794	335	24	.	.	PUNCT
admet-794	336	1	for	for	ADP
admet-794	336	2	example	example	NOUN
admet-794	336	3	,	,	PUNCT
admet-794	336	4	naproxen	naproxen	PROPN
admet-794	336	5	has	have	VERB
admet-794	336	6	the	the	DET
admet-794	336	7	calculated	calculated	ADJ
admet-794	336	8	δhsol	δhsol	NOUN
admet-794	336	9	=	=	SYM
admet-794	336	10	+29	+29	PROPN
admet-794	336	11	kj	kj	PROPN
admet-794	336	12	/	/	SYM
admet-794	336	13	mol	mol	PROPN
admet-794	336	14	.	.	PUNCT
admet-794	337	1	its	its	PRON
admet-794	337	2	solubility	solubility	NOUN
admet-794	337	3	at	at	ADP
admet-794	337	4	t	t	NOUN
admet-794	337	5	=	=	SYM
admet-794	337	6	310.15	310.15	NUM
admet-794	337	7	k	k	X
admet-794	337	8	(	(	PUNCT
admet-794	337	9	37	37	NUM
admet-794	337	10	°	°	NOUN
admet-794	337	11	c	c	NOUN
admet-794	337	12	)	)	PUNCT
admet-794	337	13	is	be	AUX
admet-794	337	14	log	log	NOUN
admet-794	337	15	s0	s0	PROPN
admet-794	337	16	=	=	PUNCT
admet-794	337	17	-4.03	-4.03	NOUN
admet-794	337	18	.	.	PUNCT
admet-794	338	1	the	the	DET
admet-794	338	2	value	value	NOUN
admet-794	338	3	decreases	decrease	VERB
admet-794	338	4	by	by	ADP
admet-794	338	5	0.2	0.2	NUM
admet-794	338	6	log	log	NOUN
admet-794	338	7	(	(	PUNCT
admet-794	338	8	eq	eq	NOUN
admet-794	338	9	.	.	PROPN
admet-794	338	10	8)	8)	NUM
admet-794	338	11	to	to	ADP
admet-794	338	12	-4.23	-4.23	NUM
admet-794	338	13	at	at	ADP
admet-794	338	14	25	25	NUM
admet-794	338	15	°	°	NOUN
admet-794	338	16	c	c	NOUN
admet-794	338	17	.	.	PUNCT
admet-794	339	1	particularly	particularly	ADV
admet-794	339	2	interesting	interesting	ADJ
admet-794	339	3	in	in	ADP
admet-794	339	4	light	light	NOUN
admet-794	339	5	of	of	ADP
admet-794	339	6	the	the	DET
admet-794	339	7	current	current	ADJ
admet-794	339	8	study	study	NOUN
admet-794	339	9	is	be	AUX
admet-794	339	10	that	that	SCONJ
admet-794	339	11	just	just	ADV
admet-794	339	12	about	about	ADP
admet-794	339	13	all	all	DET
admet-794	339	14	the	the	DET
admet-794	339	15	big	big	ADJ
admet-794	339	16	molecules	molecule	NOUN
admet-794	339	17	studied	study	VERB
admet-794	339	18	here	here	ADV
admet-794	339	19	have	have	VERB
admet-794	339	20	negative	negative	ADJ
admet-794	339	21	enthalpies	enthalpy	NOUN
admet-794	339	22	of	of	ADP
admet-794	339	23	solution	solution	NOUN
admet-794	339	24	(	(	PUNCT
admet-794	339	25	table	table	NOUN
admet-794	339	26	1	1	NUM
admet-794	339	27	)	)	PUNCT
admet-794	339	28	.	.	PUNCT
admet-794	340	1	the	the	DET
admet-794	340	2	prediction	prediction	NOUN
admet-794	340	3	equations	equation	NOUN
admet-794	340	4	[	[	X
admet-794	340	5	107	107	NUM
admet-794	340	6	]	]	PUNCT
admet-794	340	7	,	,	PUNCT
admet-794	340	8	based	base	VERB
admet-794	340	9	on	on	ADP
admet-794	340	10	abraham	abraham	PROPN
admet-794	340	11	descriptors	descriptor	NOUN
admet-794	340	12	,	,	PUNCT
admet-794	340	13	δhsol	δhsol	NOUN
admet-794	340	14	acids	acid	NOUN
admet-794	340	15	=	=	NUM
admet-794	340	16	17.1	17.1	NUM
admet-794	340	17	+	+	NOUN
admet-794	340	18	0.024	0.024	NUM
admet-794	340	19	mp	mp	NOUN
admet-794	340	20	+	+	CCONJ
admet-794	340	21	5.8	5.8	NUM
admet-794	340	22	a	a	DET
admet-794	340	23	1.9	1.9	NUM
admet-794	340	24	b	b	NOUN
admet-794	340	25	+	+	NUM
admet-794	340	26	3.0	3.0	NUM
admet-794	340	27	sπ	sπ	NOUN
admet-794	340	28	+	+	NOUN
admet-794	340	29	2.7	2.7	NUM
admet-794	340	30	r	r	NOUN
admet-794	340	31	0.4	0.4	NUM
admet-794	340	32	v	v	ADP
admet-794	340	33	4.3	4.3	NUM
admet-794	340	34	ab	ab	PROPN
admet-794	340	35	(	(	PUNCT
admet-794	340	36	9a	9a	NOUN
admet-794	340	37	)	)	PUNCT
admet-794	340	38	δhsol	δhsol	NOUN
admet-794	340	39	non	non	ADJ
admet-794	340	40	-	-	ADJ
admet-794	340	41	acids	acids	ADJ
admet-794	340	42	=	=	SYM
admet-794	340	43	11.2	11.2	NUM
admet-794	340	44	ib	ib	NOUN
admet-794	340	45	+	+	CCONJ
admet-794	340	46	7.3	7.3	NUM
admet-794	340	47	in	in	ADP
admet-794	340	48	+	+	NUM
admet-794	340	49	8.9	8.9	NUM
admet-794	340	50	iz	iz	NOUN
admet-794	341	1	+	+	NUM
admet-794	341	2	0.039	0.039	NUM
admet-794	341	3	mp	mp	NOUN
admet-794	341	4	+	+	CCONJ
admet-794	341	5	1.9	1.9	NUM
admet-794	341	6	a	a	DET
admet-794	341	7	9.1	9.1	NUM
admet-794	341	8	b	b	NOUN
admet-794	341	9	+	+	SYM
admet-794	341	10	6.5	6.5	NUM
admet-794	341	11	sπ	sπ	NOUN
admet-794	341	12	+10.2	+10.2	PROPN
admet-794	341	13	r	r	NOUN
admet-794	341	14	8.7	8.7	NUM
admet-794	341	15	v	v	ADP
admet-794	341	16	0.9	0.9	NUM
admet-794	341	17	ab	ab	PROPN
admet-794	341	18	(	(	PUNCT
admet-794	341	19	9b	9b	NOUN
admet-794	341	20	)	)	PUNCT
admet-794	341	21	indicate	indicate	VERB
admet-794	341	22	that	that	SCONJ
admet-794	341	23	high	high	ADJ
admet-794	341	24	h	h	NOUN
admet-794	341	25	-	-	PUNCT
admet-794	341	26	bond	bond	NOUN
admet-794	341	27	basicity	basicity	NOUN
admet-794	341	28	(	(	PUNCT
admet-794	341	29	b	b	NOUN
admet-794	341	30	)	)	PUNCT
admet-794	341	31	and	and	CCONJ
admet-794	341	32	large	large	ADJ
admet-794	341	33	molar	molar	ADJ
admet-794	341	34	volumes	volume	NOUN
admet-794	341	35	(	(	PUNCT
admet-794	341	36	v	v	NOUN
admet-794	341	37	)	)	PUNCT
admet-794	341	38	correlate	correlate	VERB
admet-794	341	39	with	with	ADP
admet-794	341	40	negative	negative	ADJ
admet-794	341	41	(	(	PUNCT
admet-794	341	42	exothermic	exothermic	ADJ
admet-794	341	43	)	)	PUNCT
admet-794	341	44	enthalpies	enthalpy	NOUN
admet-794	341	45	of	of	ADP
admet-794	341	46	solution	solution	NOUN
admet-794	341	47	.	.	PUNCT
admet-794	342	1	acids	acid	NOUN
admet-794	342	2	(	(	PUNCT
admet-794	342	3	e.g.	e.g.	ADV
admet-794	342	4	,	,	PUNCT
admet-794	342	5	iodipamide	iodipamide	ADJ
admet-794	342	6	and	and	CCONJ
admet-794	342	7	iodoxamic	iodoxamic	ADJ
admet-794	342	8	acid	acid	NOUN
admet-794	342	9	)	)	PUNCT
admet-794	342	10	are	be	AUX
admet-794	342	11	less	less	ADV
admet-794	342	12	inclined	inclined	ADJ
admet-794	342	13	to	to	PART
admet-794	342	14	be	be	AUX
admet-794	342	15	exothermic	exothermic	ADJ
admet-794	342	16	,	,	PUNCT
admet-794	342	17	compared	compare	VERB
admet-794	342	18	to	to	ADP
admet-794	342	19	non	non	ADJ
admet-794	342	20	-	-	ADJ
admet-794	342	21	acids	acids	ADJ
admet-794	342	22	.	.	PUNCT
admet-794	343	1	(	(	PUNCT
admet-794	343	2	in	in	ADP
admet-794	343	3	eq	eq	ADP
admet-794	343	4	.	.	PUNCT
admet-794	343	5	(	(	PUNCT
admet-794	343	6	9b	9b	NUM
admet-794	343	7	)	)	PUNCT
admet-794	343	8	,	,	PUNCT
admet-794	343	9	the	the	DET
admet-794	343	10	indicator	indicator	NOUN
admet-794	343	11	indices	indice	VERB
admet-794	343	12	default	default	NOUN
admet-794	343	13	to	to	ADP
admet-794	343	14	zero	zero	NUM
admet-794	343	15	,	,	PUNCT
admet-794	343	16	except	except	SCONJ
admet-794	343	17	that	that	PRON
admet-794	343	18	for	for	ADP
admet-794	343	19	a	a	DET
admet-794	343	20	basic	basic	ADJ
admet-794	343	21	molecule	molecule	NOUN
admet-794	343	22	,	,	PUNCT
admet-794	343	23	ib	ib	NOUN
admet-794	343	24	=	=	NOUN
admet-794	343	25	1	1	NUM
admet-794	343	26	;	;	PUNCT
admet-794	343	27	for	for	ADP
admet-794	343	28	a	a	DET
admet-794	343	29	neutral	neutral	ADJ
admet-794	343	30	molecule	molecule	NOUN
admet-794	343	31	,	,	PUNCT
admet-794	343	32	in	in	ADP
admet-794	343	33	=	=	NOUN
admet-794	343	34	1	1	NUM
admet-794	343	35	;	;	PUNCT
admet-794	343	36	for	for	ADP
admet-794	343	37	an	an	DET
admet-794	343	38	ampholyte	ampholyte	ADJ
admet-794	343	39	,	,	PUNCT
admet-794	343	40	iz	iz	PUNCT
admet-794	343	41	=	=	NOUN
admet-794	343	42	1	1	NUM
admet-794	343	43	.	.	PUNCT
admet-794	343	44	)	)	PUNCT
admet-794	343	45	for	for	ADP
admet-794	343	46	big	big	ADJ
admet-794	343	47	basic	basic	ADJ
admet-794	343	48	molecules	molecule	NOUN
admet-794	343	49	this	this	PRON
admet-794	343	50	means	mean	VERB
admet-794	343	51	that	that	SCONJ
admet-794	343	52	as	as	ADP
admet-794	343	53	temperature	temperature	NOUN
admet-794	343	54	rises	rise	NOUN
admet-794	343	55	,	,	PUNCT
admet-794	343	56	the	the	DET
admet-794	343	57	solubility	solubility	NOUN
admet-794	343	58	decreases	decrease	VERB
admet-794	343	59	.	.	PUNCT
admet-794	344	1	if	if	SCONJ
admet-794	344	2	water	water	NOUN
admet-794	344	3	is	be	AUX
admet-794	344	4	sorbed	sorb	VERB
admet-794	344	5	into	into	ADP
admet-794	344	6	the	the	DET
admet-794	344	7	void	void	ADJ
admet-794	344	8	/	/	SYM
admet-794	344	9	channel	channel	NOUN
admet-794	344	10	spaces	space	NOUN
admet-794	344	11	of	of	ADP
admet-794	344	12	crystals	crystal	NOUN
admet-794	344	13	containing	contain	VERB
admet-794	344	14	big	big	ADJ
admet-794	344	15	molecules	molecule	NOUN
admet-794	344	16	,	,	PUNCT
admet-794	344	17	then	then	ADV
admet-794	344	18	the	the	DET
admet-794	344	19	negative	negative	ADJ
admet-794	344	20	enthalpy	enthalpy	NOUN
admet-794	344	21	could	could	AUX
admet-794	344	22	be	be	AUX
admet-794	344	23	rationalized	rationalize	VERB
admet-794	344	24	in	in	ADP
admet-794	344	25	terms	term	NOUN
admet-794	344	26	of	of	ADP
admet-794	344	27	h	h	NOUN
admet-794	344	28	-	-	PUNCT
admet-794	344	29	bonding	bonding	NOUN
admet-794	344	30	effects	effect	NOUN
admet-794	344	31	.	.	PUNCT
admet-794	345	1	since	since	SCONJ
admet-794	345	2	water	water	NOUN
admet-794	345	3	h	h	NOUN
admet-794	345	4	-	-	PUNCT
admet-794	345	5	bonds	bond	NOUN
admet-794	345	6	weaken	weaken	VERB
admet-794	345	7	with	with	ADP
admet-794	345	8	rising	rise	VERB
admet-794	345	9	temperature	temperature	NOUN
admet-794	345	10	,	,	PUNCT
admet-794	345	11	the	the	DET
admet-794	345	12	proportion	proportion	NOUN
admet-794	345	13	of	of	ADP
admet-794	345	14	the	the	DET
admet-794	345	15	‘	'	PUNCT
admet-794	345	16	extended	extended	ADJ
admet-794	345	17	’	'	PUNCT
admet-794	345	18	(	(	PUNCT
admet-794	345	19	water	water	NOUN
admet-794	345	20	soluble	soluble	ADJ
admet-794	345	21	)	)	PUNCT
admet-794	345	22	conformer	conformer	NOUN
admet-794	345	23	may	may	AUX
admet-794	345	24	shift	shift	VERB
admet-794	345	25	in	in	ADP
admet-794	345	26	favor	favor	NOUN
admet-794	345	27	of	of	ADP
admet-794	345	28	the	the	DET
admet-794	345	29	‘	'	PUNCT
admet-794	345	30	folded	folded	ADJ
admet-794	345	31	’	'	PUNCT
admet-794	345	32	conformer	conformer	NOUN
admet-794	345	33	,	,	PUNCT
admet-794	345	34	which	which	PRON
admet-794	345	35	is	be	AUX
admet-794	345	36	expected	expect	VERB
admet-794	345	37	to	to	PART
admet-794	345	38	be	be	AUX
admet-794	345	39	less	less	ADV
admet-794	345	40	soluble	soluble	ADJ
admet-794	345	41	in	in	ADP
admet-794	345	42	water	water	NOUN
admet-794	345	43	.	.	PUNCT
admet-794	346	1	with	with	ADP
admet-794	346	2	weakened	weakened	ADJ
admet-794	346	3	water	water	NOUN
admet-794	346	4	binding	binding	NOUN
admet-794	346	5	,	,	PUNCT
admet-794	346	6	the	the	DET
admet-794	346	7	intramolecular	intramolecular	ADJ
admet-794	346	8	h	h	NOUN
admet-794	346	9	-	-	PUNCT
admet-794	346	10	bond	bond	NOUN
admet-794	346	11	interactions	interaction	NOUN
admet-794	346	12	may	may	AUX
admet-794	346	13	stabilize	stabilize	VERB
admet-794	346	14	the	the	DET
admet-794	346	15	structure	structure	NOUN
admet-794	346	16	in	in	ADP
admet-794	346	17	a	a	DET
admet-794	346	18	folded	fold	VERB
admet-794	346	19	form	form	NOUN
admet-794	346	20	.	.	PUNCT
admet-794	347	1	in	in	ADP
admet-794	347	2	this	this	DET
admet-794	347	3	way	way	NOUN
admet-794	347	4	,	,	PUNCT
admet-794	347	5	negative	negative	ADJ
admet-794	347	6	enthalpy	enthalpy	NOUN
admet-794	347	7	is	be	AUX
admet-794	347	8	consistent	consistent	ADJ
admet-794	347	9	with	with	ADP
admet-794	347	10	the	the	DET
admet-794	347	11	conformational	conformational	ADJ
admet-794	347	12	flexibility	flexibility	NOUN
admet-794	347	13	of	of	ADP
admet-794	347	14	‘	'	PUNCT
admet-794	347	15	molecular	molecular	ADJ
admet-794	347	16	chameleons	chameleon	NOUN
admet-794	347	17	’	'	PUNCT
admet-794	348	1	[	[	X
admet-794	348	2	26	26	NUM
admet-794	348	3	-	-	SYM
admet-794	348	4	31	31	NUM
admet-794	348	5	]	]	PUNCT
admet-794	348	6	,	,	PUNCT
admet-794	348	7	and	and	CCONJ
admet-794	348	8	highlights	highlight	VERB
admet-794	348	9	the	the	DET
admet-794	348	10	possible	possible	ADJ
admet-794	348	11	role	role	NOUN
admet-794	348	12	of	of	ADP
admet-794	348	13	sorbed	sorb	VERB
admet-794	348	14	water	water	NOUN
admet-794	348	15	influences	influence	NOUN
admet-794	348	16	on	on	ADP
admet-794	348	17	solubility	solubility	NOUN
admet-794	348	18	.	.	PUNCT
admet-794	349	1	conclusion	conclusion	NOUN
admet-794	349	2	we	we	PRON
admet-794	349	3	have	have	AUX
admet-794	349	4	shown	show	VERB
admet-794	349	5	that	that	SCONJ
admet-794	349	6	traditional	traditional	ADJ
admet-794	349	7	approaches	approach	NOUN
admet-794	349	8	to	to	ADP
admet-794	349	9	the	the	DET
admet-794	349	10	prediction	prediction	NOUN
admet-794	349	11	of	of	ADP
admet-794	349	12	solubility	solubility	NOUN
admet-794	349	13	of	of	ADP
admet-794	349	14	big	big	ADJ
admet-794	349	15	molecules	molecule	NOUN
admet-794	349	16	(	(	PUNCT
admet-794	349	17	bro5	bro5	PROPN
admet-794	349	18	)	)	PUNCT
admet-794	349	19	do	do	AUX
admet-794	349	20	not	not	PART
admet-794	349	21	work	work	VERB
admet-794	349	22	very	very	ADV
admet-794	349	23	well	well	ADV
admet-794	349	24	,	,	PUNCT
admet-794	349	25	unless	unless	SCONJ
admet-794	349	26	modified	modify	VERB
admet-794	349	27	.	.	PUNCT
admet-794	350	1	on	on	ADP
admet-794	350	2	the	the	DET
admet-794	350	3	other	other	ADJ
admet-794	350	4	hand	hand	NOUN
admet-794	350	5	,	,	PUNCT
admet-794	350	6	the	the	DET
admet-794	350	7	rfr	rfr	PROPN
admet-794	350	8	method	method	NOUN
admet-794	350	9	works	work	VERB
admet-794	350	10	reasonably	reasonably	ADV
admet-794	350	11	well	well	ADV
admet-794	350	12	,	,	PUNCT
admet-794	350	13	but	but	CCONJ
admet-794	350	14	it	it	PRON
admet-794	350	15	is	be	AUX
admet-794	350	16	not	not	PART
admet-794	350	17	easy	easy	ADJ
admet-794	350	18	to	to	PART
admet-794	350	19	understand	understand	VERB
admet-794	350	20	what	what	PRON
admet-794	350	21	specific	specific	ADJ
admet-794	350	22	contributions	contribution	NOUN
admet-794	350	23	the	the	DET
admet-794	350	24	various	various	ADJ
admet-794	350	25	molecular	molecular	ADJ
admet-794	350	26	descriptors	descriptor	NOUN
admet-794	350	27	provide	provide	VERB
admet-794	350	28	to	to	ADP
admet-794	350	29	the	the	DET
admet-794	350	30	overall	overall	ADJ
admet-794	350	31	prediction	prediction	NOUN
admet-794	350	32	.	.	PUNCT
admet-794	351	1	we	we	PRON
admet-794	351	2	attempted	attempt	VERB
admet-794	351	3	to	to	PART
admet-794	351	4	link	link	VERB
admet-794	351	5	the	the	DET
admet-794	351	6	solubility	solubility	NOUN
admet-794	351	7	enhancement	enhancement	NOUN
admet-794	351	8	–	–	PUNCT
admet-794	351	9	big	big	ADJ
admet-794	351	10	molecules	molecule	NOUN
admet-794	351	11	(	(	PUNCT
admet-794	351	12	sebm	sebm	NOUN
admet-794	351	13	)	)	PUNCT
admet-794	351	14	to	to	ADP
admet-794	351	15	other	other	ADJ
admet-794	351	16	physicochemical	physicochemical	ADJ
admet-794	351	17	properties	property	NOUN
admet-794	351	18	.	.	PUNCT
admet-794	352	1	a	a	DET
admet-794	352	2	trend	trend	NOUN
admet-794	352	3	was	be	AUX
admet-794	352	4	evident	evident	ADJ
admet-794	352	5	in	in	ADP
admet-794	352	6	the	the	DET
admet-794	352	7	log	log	NOUN
admet-794	352	8	sebm	sebm	NOUN
admet-794	352	9	vs.	vs.	ADP
admet-794	352	10	nrot	nrot	PROPN
admet-794	352	11	plot	plot	PROPN
admet-794	352	12	,	,	PUNCT
admet-794	352	13	suggesting	suggest	VERB
admet-794	352	14	that	that	SCONJ
admet-794	352	15	flexibility	flexibility	NOUN
admet-794	352	16	appears	appear	VERB
admet-794	352	17	to	to	PART
admet-794	352	18	enhance	enhance	VERB
admet-794	352	19	the	the	DET
admet-794	352	20	solubility	solubility	NOUN
admet-794	352	21	of	of	ADP
admet-794	352	22	big	big	ADJ
admet-794	352	23	molecules	molecule	NOUN
admet-794	352	24	.	.	PUNCT
admet-794	353	1	in	in	ADP
admet-794	353	2	the	the	DET
admet-794	353	3	sge	sge	PROPN
admet-794	353	4	model	model	PROPN
admet-794	353	5	,	,	PUNCT
admet-794	353	6	a	a	DET
admet-794	353	7	different	different	ADJ
admet-794	353	8	lipophilicity	lipophilicity	NOUN
admet-794	353	9	scale	scale	NOUN
admet-794	353	10	might	might	AUX
admet-794	353	11	improve	improve	VERB
admet-794	353	12	the	the	DET
admet-794	353	13	performance	performance	NOUN
admet-794	353	14	of	of	ADP
admet-794	353	15	the	the	DET
admet-794	353	16	approach	approach	NOUN
admet-794	353	17	,	,	PUNCT
admet-794	353	18	as	as	SCONJ
admet-794	353	19	empirically	empirically	ADV
admet-794	353	20	suggested	suggest	VERB
admet-794	353	21	in	in	ADP
admet-794	353	22	figure	figure	NOUN
admet-794	353	23	4c	4c	NOUN
admet-794	353	24	and	and	CCONJ
admet-794	353	25	as	as	SCONJ
admet-794	353	26	suggested	suggest	VERB
admet-794	353	27	by	by	ADP
admet-794	353	28	the	the	DET
admet-794	353	29	chromatographic	chromatographic	ADJ
admet-794	353	30	studies	study	NOUN
admet-794	353	31	of	of	ADP
admet-794	353	32	ermondi	ermondi	PROPN
admet-794	353	33	et	et	PROPN
admet-794	353	34	al	al	PROPN
admet-794	353	35	.	.	PUNCT
admet-794	354	1	[	[	X
admet-794	354	2	27,28	27,28	NUM
admet-794	354	3	]	]	X
admet-794	354	4	.	.	PUNCT
admet-794	355	1	the	the	DET
admet-794	355	2	introduction	introduction	NOUN
admet-794	355	3	of	of	ADP
admet-794	355	4	a	a	DET
admet-794	355	5	nonlinear	nonlinear	ADJ
admet-794	355	6	h	h	NOUN
admet-794	355	7	-	-	PUNCT
admet-794	355	8	bond	bond	NOUN
admet-794	355	9	basicity	basicity	NOUN
admet-794	355	10	term	term	NOUN
admet-794	355	11	in	in	ADP
admet-794	355	12	the	the	DET
admet-794	355	13	case	case	NOUN
admet-794	355	14	of	of	ADP
admet-794	355	15	the	the	DET
admet-794	355	16	absolv	absolv	ADJ
admet-794	355	17	approach	approach	NOUN
admet-794	355	18	is	be	AUX
admet-794	355	19	empirical	empirical	ADJ
admet-794	355	20	,	,	PUNCT
admet-794	355	21	and	and	CCONJ
admet-794	355	22	it	it	PRON
admet-794	355	23	is	be	AUX
admet-794	355	24	not	not	PART
admet-794	355	25	clear	clear	ADJ
admet-794	355	26	how	how	SCONJ
admet-794	355	27	to	to	PART
admet-794	355	28	relate	relate	VERB
admet-794	355	29	it	it	PRON
admet-794	355	30	to	to	ADP
admet-794	355	31	first	first	ADJ
admet-794	355	32	-	-	PUNCT
admet-794	355	33	principle	principle	NOUN
admet-794	355	34	thermodynamic	thermodynamic	ADJ
admet-794	355	35	treatment	treatment	NOUN
admet-794	355	36	.	.	PUNCT
admet-794	356	1	http://dx.doi.org/10.5599/admet.794	http://dx.doi.org/10.5599/admet.794	ADJ
admet-794	356	2	alex	alex	PROPN
admet-794	356	3	avdeef	avdeef	PROPN
admet-794	356	4	and	and	CCONJ
admet-794	356	5	manfred	manfred	PROPN
admet-794	356	6	kansy	kansy	PROPN
admet-794	356	7	admet	admet	PROPN
admet-794	356	8	&	&	CCONJ
admet-794	356	9	dmpk	dmpk	PROPN
admet-794	356	10	8(3	8(3	NUM
admet-794	356	11	)	)	PUNCT
admet-794	356	12	(	(	PUNCT
admet-794	356	13	2020	2020	NUM
admet-794	356	14	)	)	PUNCT
admet-794	356	15	180	180	NUM
admet-794	356	16	-	-	SYM
admet-794	356	17	206	206	NUM
admet-794	356	18	196	196	NUM
admet-794	356	19	most	most	ADJ
admet-794	356	20	of	of	ADP
admet-794	356	21	the	the	DET
admet-794	356	22	big	big	ADJ
admet-794	356	23	molecules	molecule	NOUN
admet-794	356	24	have	have	VERB
admet-794	356	25	negative	negative	ADJ
admet-794	356	26	enthalpy	enthalpy	NOUN
admet-794	356	27	of	of	ADP
admet-794	356	28	solution	solution	NOUN
admet-794	356	29	.	.	PUNCT
admet-794	357	1	that	that	PRON
admet-794	357	2	is	be	AUX
admet-794	357	3	,	,	PUNCT
admet-794	357	4	their	their	PRON
admet-794	357	5	solubility	solubility	NOUN
admet-794	357	6	decreases	decrease	VERB
admet-794	357	7	with	with	ADP
admet-794	357	8	increasing	increase	VERB
admet-794	357	9	temperature	temperature	NOUN
admet-794	357	10	.	.	PUNCT
admet-794	358	1	this	this	DET
admet-794	358	2	hints	hint	NOUN
admet-794	358	3	of	of	ADP
admet-794	358	4	an	an	DET
admet-794	358	5	important	important	ADJ
admet-794	358	6	h	h	NOUN
admet-794	358	7	-	-	PUNCT
admet-794	358	8	bonding	bond	VERB
admet-794	358	9	role	role	NOUN
admet-794	358	10	for	for	ADP
admet-794	358	11	water	water	NOUN
admet-794	358	12	sorbed	sorb	VERB
admet-794	358	13	into	into	ADP
admet-794	358	14	the	the	DET
admet-794	358	15	solid	solid	ADJ
admet-794	358	16	state	state	NOUN
admet-794	358	17	of	of	ADP
admet-794	358	18	the	the	DET
admet-794	358	19	large	large	ADJ
admet-794	358	20	molecules	molecule	NOUN
admet-794	358	21	.	.	PUNCT
admet-794	359	1	such	such	ADJ
admet-794	359	2	molecules	molecule	NOUN
admet-794	359	3	appear	appear	VERB
admet-794	359	4	to	to	PART
admet-794	359	5	have	have	VERB
admet-794	359	6	void	void	ADJ
admet-794	359	7	spaces	space	NOUN
admet-794	359	8	in	in	ADP
admet-794	359	9	their	their	PRON
admet-794	359	10	crystal	crystal	NOUN
admet-794	359	11	lattices	lattice	NOUN
admet-794	359	12	,	,	PUNCT
admet-794	359	13	sufficient	sufficient	ADJ
admet-794	359	14	to	to	PART
admet-794	359	15	accommodate	accommodate	VERB
admet-794	359	16	many	many	ADJ
admet-794	359	17	water	water	NOUN
admet-794	359	18	molecules	molecule	NOUN
admet-794	359	19	under	under	ADP
admet-794	359	20	equilibrium	equilibrium	NOUN
admet-794	359	21	conditions	condition	NOUN
admet-794	359	22	with	with	ADP
admet-794	359	23	crystals	crystal	NOUN
admet-794	359	24	wet	wet	VERB
admet-794	359	25	by	by	ADP
admet-794	359	26	aqueous	aqueous	ADJ
admet-794	359	27	media	medium	NOUN
admet-794	359	28	.	.	PUNCT
admet-794	360	1	the	the	DET
admet-794	360	2	observation	observation	NOUN
admet-794	360	3	that	that	SCONJ
admet-794	360	4	the	the	DET
admet-794	360	5	rfr	rfr	PROPN
admet-794	360	6	method	method	NOUN
admet-794	360	7	appears	appear	VERB
admet-794	360	8	to	to	PART
admet-794	360	9	work	work	VERB
admet-794	360	10	encourages	encourage	VERB
admet-794	360	11	us	we	PRON
admet-794	360	12	to	to	PART
admet-794	360	13	further	far	ADV
admet-794	360	14	search	search	VERB
admet-794	360	15	for	for	ADP
admet-794	360	16	3d	3d	NOUN
admet-794	360	17	-	-	PUNCT
admet-794	360	18	based	base	VERB
admet-794	360	19	descriptors	descriptor	NOUN
admet-794	360	20	arising	arise	VERB
admet-794	360	21	from	from	ADP
admet-794	360	22	‘	'	PUNCT
admet-794	360	23	conformational	conformational	ADJ
admet-794	360	24	lipophilicity	lipophilicity	NOUN
admet-794	360	25	’	'	PUNCT
admet-794	360	26	analysis	analysis	NOUN
admet-794	360	27	akin	akin	ADJ
admet-794	360	28	to	to	ADP
admet-794	360	29	that	that	PRON
admet-794	360	30	developed	develop	VERB
admet-794	360	31	by	by	ADP
admet-794	360	32	caron	caron	PROPN
admet-794	360	33	and	and	CCONJ
admet-794	360	34	coworkers	coworker	NOUN
admet-794	360	35	[	[	X
admet-794	360	36	27	27	NUM
admet-794	360	37	-	-	SYM
admet-794	360	38	30	30	NUM
admet-794	360	39	]	]	PUNCT
admet-794	360	40	.	.	PUNCT
admet-794	361	1	the	the	DET
admet-794	361	2	accurate	accurate	ADJ
admet-794	361	3	prediction	prediction	NOUN
admet-794	361	4	of	of	ADP
admet-794	361	5	the	the	DET
admet-794	361	6	solubility	solubility	NOUN
admet-794	361	7	of	of	ADP
admet-794	361	8	newly	newly	ADV
admet-794	361	9	approved	approve	VERB
admet-794	361	10	molecules	molecule	NOUN
admet-794	361	11	originating	originate	VERB
admet-794	361	12	from	from	ADP
admet-794	361	13	the	the	DET
admet-794	361	14	bro5	bro5	NOUN
admet-794	361	15	chemical	chemical	NOUN
admet-794	361	16	space	space	NOUN
admet-794	361	17	would	would	AUX
admet-794	361	18	help	help	VERB
admet-794	361	19	in	in	ADP
admet-794	361	20	selecting	select	VERB
admet-794	361	21	/	/	SYM
admet-794	361	22	prioritizing	prioritize	VERB
admet-794	361	23	candidates	candidate	NOUN
admet-794	361	24	in	in	ADP
admet-794	361	25	early	early	ADJ
admet-794	361	26	drug	drug	NOUN
admet-794	361	27	discovery	discovery	NOUN
admet-794	361	28	,	,	PUNCT
admet-794	361	29	particularly	particularly	ADV
admet-794	361	30	if	if	SCONJ
admet-794	361	31	the	the	DET
admet-794	361	32	bro5	bro5	NOUN
admet-794	361	33	molecular	molecular	ADJ
admet-794	361	34	basis	basis	NOUN
admet-794	361	35	of	of	ADP
admet-794	361	36	solubility	solubility	NOUN
admet-794	361	37	were	be	AUX
admet-794	361	38	better	well	ADV
admet-794	361	39	understood	understand	VERB
admet-794	361	40	.	.	PUNCT
admet-794	362	1	abbreviations	abbreviation	NOUN
admet-794	362	2	and	and	CCONJ
admet-794	362	3	definitions	definition	NOUN
admet-794	362	4	s0	s0	NOUN
admet-794	362	5	“	"	PUNCT
admet-794	362	6	intrinsic	intrinsic	ADJ
admet-794	362	7	”	"	PUNCT
admet-794	362	8	solubility	solubility	NOUN
admet-794	362	9	(	(	PUNCT
admet-794	362	10	i.e.	i.e.	X
admet-794	362	11	,	,	PUNCT
admet-794	362	12	the	the	DET
admet-794	362	13	solubility	solubility	NOUN
admet-794	362	14	of	of	ADP
admet-794	362	15	the	the	DET
admet-794	362	16	uncharged	uncharged	ADJ
admet-794	362	17	form	form	NOUN
admet-794	362	18	of	of	ADP
admet-794	362	19	the	the	DET
admet-794	362	20	compound	compound	NOUN
admet-794	362	21	)	)	PUNCT
admet-794	362	22	rmse	rmse	NOUN
admet-794	362	23	root	root	NOUN
admet-794	362	24	-	-	PUNCT
admet-794	362	25	mean	mean	ADJ
admet-794	362	26	-	-	PUNCT
admet-794	362	27	square	square	NOUN
admet-794	362	28	error	error	NOUN
admet-794	362	29	:	:	PUNCT
admet-794	362	30	rmse	rmse	NOUN
admet-794	362	31	=	=	PUNCT
admet-794	362	32	[	[	PUNCT
admet-794	362	33	1	1	NUM
admet-794	362	34	/	/	SYM
admet-794	362	35	n	n	PRON
admet-794	362	36	σi	σi	NOUN
admet-794	362	37	(	(	PUNCT
admet-794	362	38	yi	yi	PROPN
admet-794	362	39	obs	obs	PROPN
admet-794	362	40	yi	yi	PROPN
admet-794	362	41	calc)2	calc)2	NOUN
admet-794	362	42	]	]	PUNCT
admet-794	362	43	1/2	1/2	NUM
admet-794	362	44	,	,	PUNCT
admet-794	362	45	where	where	SCONJ
admet-794	362	46	yobs/	yobs/	NUM
admet-794	362	47	ycalc	ycalc	NOUN
admet-794	362	48	=	=	SYM
admet-794	362	49	observed	observe	VERB
admet-794	362	50	/	/	SYM
admet-794	362	51	calculated	calculate	VERB
admet-794	362	52	value	value	NOUN
admet-794	362	53	of	of	ADP
admet-794	362	54	log	log	NOUN
admet-794	362	55	s0	s0	PROPN
admet-794	362	56	according	accord	VERB
admet-794	362	57	to	to	ADP
admet-794	362	58	model	model	NOUN
admet-794	362	59	,	,	PUNCT
admet-794	362	60	n	n	NOUN
admet-794	362	61	=	=	NOUN
admet-794	362	62	number	number	NOUN
admet-794	362	63	of	of	ADP
admet-794	362	64	measurements	measurement	NOUN
admet-794	362	65	of	of	ADP
admet-794	362	66	log	log	NOUN
admet-794	362	67	s0	s0	PROPN
admet-794	362	68	r2	r2	PROPN
admet-794	362	69	squared	square	VERB
admet-794	362	70	linear	linear	ADJ
admet-794	362	71	correlation	correlation	NOUN
admet-794	362	72	coefficient	coefficient	NOUN
admet-794	362	73	,	,	PUNCT
admet-794	362	74	r2	r2	PROPN
admet-794	362	75	=	=	NOUN
admet-794	362	76	1	1	NUM
admet-794	362	77	σi	σi	NOUN
admet-794	362	78	(	(	PUNCT
admet-794	362	79	yi	yi	PROPN
admet-794	362	80	obs	obs	PROPN
admet-794	362	81	yi	yi	PROPN
admet-794	362	82	calc)2	calc)2	PROPN
admet-794	362	83	/	/	SYM
admet-794	362	84	σi	σi	PROPN
admet-794	362	85	(	(	PUNCT
admet-794	362	86	yi	yi	PROPN
admet-794	362	87	obs	obs	PROPN
admet-794	362	88	<	<	X
admet-794	362	89	y>)2	y>)2	PROPN
admet-794	362	90	,	,	PUNCT
admet-794	362	91	where	where	SCONJ
admet-794	362	92	y	y	PROPN
admet-794	362	93	=	=	PUNCT
admet-794	362	94	log	log	NOUN
admet-794	362	95	s0	s0	PROPN
admet-794	362	96	,	,	PUNCT
admet-794	362	97	and	and	CCONJ
admet-794	362	98	<	<	X
admet-794	362	99	y	y	X
admet-794	362	100	>	>	X
admet-794	362	101	is	be	AUX
admet-794	362	102	the	the	DET
admet-794	362	103	mean	mean	ADJ
admet-794	362	104	value	value	NOUN
admet-794	362	105	of	of	ADP
admet-794	362	106	log	log	NOUN
admet-794	362	107	s0	s0	PROPN
admet-794	362	108	sd	sd	ADP
admet-794	362	109	standard	standard	ADJ
admet-794	362	110	deviation	deviation	NOUN
admet-794	362	111	:	:	PUNCT
admet-794	362	112	sd	sd	ADP
admet-794	362	113	=	=	PUNCT
admet-794	362	114	[	[	PUNCT
admet-794	362	115	1	1	NUM
admet-794	362	116	/	/	SYM
admet-794	362	117	n	n	PRON
admet-794	362	118	σi	σi	NOUN
admet-794	362	119	(	(	PUNCT
admet-794	362	120	yi	yi	PROPN
admet-794	362	121	obs	obs	PROPN
admet-794	362	122	<	<	X
admet-794	362	123	y>)2	y>)2	PROPN
admet-794	362	124	]	]	SYM
admet-794	362	125	1/2	1/2	NUM
admet-794	362	126	,	,	PUNCT
admet-794	362	127	where	where	SCONJ
admet-794	362	128	n	n	NOUN
admet-794	362	129	=	=	NOUN
admet-794	362	130	number	number	NOUN
admet-794	362	131	of	of	ADP
admet-794	362	132	measurements	measurement	NOUN
admet-794	362	133	,	,	PUNCT
admet-794	362	134	<	<	X
admet-794	362	135	y	y	X
admet-794	362	136	>	>	X
admet-794	362	137	=	=	SYM
admet-794	363	1	mean	mean	ADJ
admet-794	363	2	value	value	NOUN
admet-794	363	3	of	of	ADP
admet-794	363	4	log	log	NOUN
admet-794	363	5	s0	s0	PROPN
admet-794	363	6	f	f	PROPN
admet-794	364	1	f	f	X
admet-794	364	2	-	-	PUNCT
admet-794	364	3	statistic	statistic	NOUN
admet-794	364	4	:	:	PUNCT
admet-794	365	1	f	f	X
admet-794	365	2	=	=	SYM
admet-794	365	3	(	(	PUNCT
admet-794	365	4	n	n	CCONJ
admet-794	365	5	-	-	PUNCT
admet-794	365	6	p-1)/p	p-1)/p	NOUN
admet-794	365	7	·	·	PUNCT
admet-794	365	8	σi	σi	X
admet-794	365	9	(	(	PUNCT
admet-794	365	10	yi	yi	PROPN
admet-794	365	11	obs	obs	PROPN
admet-794	365	12	<	<	X
admet-794	365	13	y>)2	y>)2	PROPN
admet-794	365	14	/	/	SYM
admet-794	365	15	σi	σi	PROPN
admet-794	365	16	(	(	PUNCT
admet-794	365	17	yi	yi	PROPN
admet-794	365	18	obs	obs	PROPN
admet-794	365	19	yi	yi	PROPN
admet-794	365	20	calc)2	calc)2	NOUN
admet-794	365	21	,	,	PUNCT
admet-794	365	22	where	where	SCONJ
admet-794	365	23	p	p	NOUN
admet-794	365	24	=	=	NOUN
admet-794	365	25	number	number	NOUN
admet-794	365	26	of	of	ADP
admet-794	365	27	regression	regression	NOUN
admet-794	365	28	parameters	parameter	NOUN
admet-794	365	29	mpp	mpp	NOUN
admet-794	365	30	measure	measure	NOUN
admet-794	365	31	of	of	ADP
admet-794	365	32	prediction	prediction	NOUN
admet-794	365	33	performance	performance	NOUN
admet-794	365	34	[	[	X
admet-794	365	35	108	108	NUM
admet-794	365	36	]	]	PUNCT
admet-794	365	37	.	.	PUNCT
admet-794	366	1	it	it	PRON
admet-794	366	2	refers	refer	VERB
admet-794	366	3	to	to	ADP
admet-794	366	4	the	the	DET
admet-794	366	5	percent	percent	NOUN
admet-794	366	6	of	of	ADP
admet-794	366	7	‘	'	PUNCT
admet-794	366	8	correct	correct	ADJ
admet-794	366	9	’	'	PUNCT
admet-794	366	10	predictions	prediction	NOUN
admet-794	366	11	,	,	PUNCT
admet-794	366	12	as	as	SCONJ
admet-794	366	13	defined	define	VERB
admet-794	366	14	by	by	ADP
admet-794	366	15	the	the	DET
admet-794	366	16	count	count	NOUN
admet-794	366	17	of	of	ADP
admet-794	366	18	absolute	absolute	ADJ
admet-794	366	19	residuals	residual	NOUN
admet-794	366	20	|log	|log	PRON
admet-794	366	21	s0	s0	PROPN
admet-794	366	22	obs	obs	PROPN
admet-794	366	23	–	–	PUNCT
admet-794	366	24	log	log	NOUN
admet-794	366	25	s0	s0	NOUN
admet-794	366	26	calc|	calc|	NOUN
admet-794	366	27	≤	≤	NUM
admet-794	366	28	0.5	0.5	NUM
admet-794	366	29	divided	divide	VERB
admet-794	366	30	by	by	ADP
admet-794	366	31	the	the	DET
admet-794	366	32	number	number	NOUN
admet-794	366	33	of	of	ADP
admet-794	366	34	measurements	measurement	NOUN
admet-794	366	35	.	.	PUNCT
admet-794	367	1	mpp	mpp	PROPN
admet-794	367	2	is	be	AUX
admet-794	367	3	represented	represent	VERB
admet-794	367	4	as	as	ADP
admet-794	367	5	a	a	DET
admet-794	367	6	pie	pie	NOUN
admet-794	367	7	chart	chart	NOUN
admet-794	367	8	in	in	ADP
admet-794	367	9	the	the	DET
admet-794	367	10	correlation	correlation	NOUN
admet-794	367	11	plots	plot	NOUN
admet-794	367	12	.	.	PUNCT
admet-794	368	1	abraham	abraham	PROPN
admet-794	368	2	solvation	solvation	NOUN
admet-794	368	3	descriptors	descriptor	VERB
admet-794	368	4	a	a	DET
admet-794	368	5	h	h	NOUN
admet-794	368	6	-	-	PUNCT
admet-794	368	7	bond	bond	NOUN
admet-794	368	8	total	total	NOUN
admet-794	368	9	acidity	acidity	NOUN
admet-794	368	10	b	b	PROPN
admet-794	368	11	h	h	NOUN
admet-794	368	12	-	-	PUNCT
admet-794	368	13	bond	bond	NOUN
admet-794	368	14	total	total	ADJ
admet-794	368	15	basicity	basicity	NOUN
admet-794	368	16	sπ	sπ	PROPN
admet-794	368	17	dipolarity	dipolarity	NOUN
admet-794	368	18	/	/	SYM
admet-794	368	19	polarizability	polarizability	NOUN
admet-794	368	20	due	due	ADP
admet-794	368	21	to	to	ADP
admet-794	368	22	solute	solute	VERB
admet-794	368	23	-	-	PUNCT
admet-794	368	24	solvent	solvent	ADJ
admet-794	368	25	interactions	interaction	NOUN
admet-794	368	26	between	between	ADP
admet-794	368	27	bond	bond	NOUN
admet-794	368	28	dipoles	dipole	NOUN
admet-794	368	29	and	and	CCONJ
admet-794	368	30	induced	induce	VERB
admet-794	368	31	dipoles	dipole	NOUN
admet-794	368	32	e	e	NOUN
admet-794	368	33	excess	excess	ADJ
admet-794	368	34	molar	molar	ADJ
admet-794	368	35	refraction	refraction	NOUN
admet-794	368	36	(	(	PUNCT
admet-794	368	37	dm3	dm3	PROPN
admet-794	368	38	mol-1	mol-1	X
admet-794	368	39	/	/	SYM
admet-794	368	40	10	10	NUM
admet-794	368	41	)	)	PUNCT
admet-794	368	42	;	;	PUNCT
admet-794	368	43	which	which	PRON
admet-794	368	44	models	model	VERB
admet-794	368	45	dispersion	dispersion	NOUN
admet-794	368	46	force	force	NOUN
admet-794	368	47	interaction	interaction	NOUN
admet-794	368	48	arising	arise	VERB
admet-794	368	49	from	from	ADP
admet-794	368	50	πand	πand	ADJ
admet-794	368	51	n	n	CCONJ
admet-794	368	52	-	-	PUNCT
admet-794	368	53	electrons	electron	NOUN
admet-794	368	54	of	of	ADP
admet-794	368	55	the	the	DET
admet-794	368	56	solute	solute	NOUN
admet-794	368	57	v	v	ADP
admet-794	368	58	mcgowan	mcgowan	PROPN
admet-794	368	59	molar	molar	PROPN
admet-794	368	60	volume	volume	NOUN
admet-794	368	61	(	(	PUNCT
admet-794	368	62	dm3	dm3	PROPN
admet-794	368	63	mol-1	mol-1	X
admet-794	368	64	/	/	SYM
admet-794	368	65	100	100	NUM
admet-794	368	66	)	)	PUNCT
admet-794	368	67	a∙b	a∙b	VERB
admet-794	368	68	acid	acid	NOUN
admet-794	368	69	-	-	PUNCT
admet-794	368	70	base	base	NOUN
admet-794	368	71	h	h	NOUN
admet-794	368	72	-	-	PUNCT
admet-794	368	73	bonding	bond	VERB
admet-794	368	74	product	product	NOUN
admet-794	368	75	descriptor	descriptor	NOUN
admet-794	368	76	used	use	VERB
admet-794	368	77	in	in	ADP
admet-794	368	78	absolv	absolv	ADJ
admet-794	368	79	solubility	solubility	NOUN
admet-794	368	80	prediction	prediction	NOUN
admet-794	368	81	most	most	ADV
admet-794	368	82	important	important	ADJ
admet-794	368	83	rdkit	rdkit	ADJ
admet-794	368	84	descriptors	descriptor	NOUN
admet-794	368	85	in	in	ADP
admet-794	368	86	rfr	rfr	PROPN
admet-794	368	87	analysis	analysis	NOUN
admet-794	368	88	subdivided	subdivide	VERB
admet-794	368	89	surface	surface	NOUN
admet-794	368	90	area	area	NOUN
admet-794	368	91	molecular	molecular	ADJ
admet-794	368	92	descriptors	descriptor	NOUN
admet-794	368	93	[	[	X
admet-794	368	94	109	109	NUM
admet-794	368	95	]	]	PUNCT
admet-794	368	96	labutevsa	labutevsa	NOUN
admet-794	368	97	sum	sum	NOUN
admet-794	368	98	of	of	ADP
admet-794	368	99	atomic	atomic	ADJ
admet-794	368	100	contributions	contribution	NOUN
admet-794	368	101	[	[	X
admet-794	368	102	110	110	NUM
admet-794	368	103	]	]	PUNCT
admet-794	368	104	to	to	ADP
admet-794	368	105	the	the	DET
admet-794	368	106	accessible	accessible	ADJ
admet-794	368	107	van	van	PROPN
admet-794	368	108	der	der	NOUN
admet-794	368	109	waals	waal	NOUN
admet-794	368	110	surface	surface	PROPN
admet-794	368	111	area	area	NOUN
admet-794	368	112	mollogp	mollogp	PROPN
admet-794	368	113	sum	sum	NOUN
admet-794	368	114	of	of	ADP
admet-794	368	115	atomic	atomic	ADJ
admet-794	368	116	contributions	contribution	NOUN
admet-794	368	117	to	to	ADP
admet-794	368	118	octanol	octanol	NOUN
admet-794	368	119	/	/	SYM
admet-794	368	120	water	water	NOUN
admet-794	368	121	partition	partition	NOUN
admet-794	368	122	coefficient	coefficient	NOUN
admet-794	368	123	,	,	PUNCT
admet-794	368	124	log	log	VERB
admet-794	368	125	p	p	NOUN
admet-794	368	126	molmr	molmr	ADJ
admet-794	368	127	sum	sum	NOUN
admet-794	368	128	of	of	ADP
admet-794	368	129	atomic	atomic	ADJ
admet-794	368	130	contributions	contribution	NOUN
admet-794	368	131	to	to	ADP
admet-794	368	132	molar	molar	ADJ
admet-794	368	133	refractivity	refractivity	NOUN
admet-794	368	134	,	,	PUNCT
admet-794	368	135	mr	mr	PROPN
admet-794	368	136	smr_vsak	smr_vsak	NOUN
admet-794	368	137	sum	sum	NOUN
admet-794	368	138	of	of	ADP
admet-794	368	139	accessible	accessible	ADJ
admet-794	368	140	van	van	PROPN
admet-794	368	141	der	der	NOUN
admet-794	368	142	waals	waal	NOUN
admet-794	368	143	surface	surface	NOUN
admet-794	368	144	area	area	NOUN
admet-794	368	145	for	for	ADP
admet-794	368	146	those	those	DET
admet-794	368	147	atoms	atom	NOUN
admet-794	368	148	with	with	ADP
admet-794	368	149	atomic	atomic	ADJ
admet-794	368	150	contribution	contribution	NOUN
admet-794	368	151	to	to	ADP
admet-794	368	152	molar	molar	ADJ
admet-794	368	153	refractivity	refractivity	NOUN
admet-794	368	154	;	;	PUNCT
admet-794	368	155	k	k	PROPN
admet-794	368	156	refers	refer	VERB
admet-794	368	157	to	to	ADP
admet-794	368	158	a	a	DET
admet-794	368	159	small	small	ADJ
admet-794	368	160	domain	domain	NOUN
admet-794	368	161	of	of	ADP
admet-794	368	162	atomic	atomic	NOUN
admet-794	368	163	-	-	PUNCT
admet-794	368	164	contribution	contribution	NOUN
admet-794	368	165	to	to	ADP
admet-794	368	166	mr	mr	PROPN
admet-794	368	167	;	;	PUNCT
admet-794	368	168	intended	intend	VERB
admet-794	368	169	to	to	PART
admet-794	368	170	capture	capture	VERB
admet-794	368	171	molecular	molecular	ADJ
admet-794	368	172	size	size	NOUN
admet-794	368	173	&	&	CCONJ
admet-794	368	174	polarizability	polarizability	NOUN
admet-794	368	175	peoe_vsak	peoe_vsak	PROPN
admet-794	368	176	intended	intend	VERB
admet-794	368	177	to	to	PART
admet-794	368	178	capture	capture	VERB
admet-794	368	179	direct	direct	ADJ
admet-794	368	180	electrostatic	electrostatic	ADJ
admet-794	368	181	interactions	interaction	NOUN
admet-794	368	182	in	in	ADP
admet-794	368	183	a	a	DET
admet-794	368	184	particular	particular	ADJ
admet-794	368	185	range	range	NOUN
admet-794	368	186	;	;	PUNCT
admet-794	368	187	based	base	VERB
admet-794	368	188	on	on	ADP
admet-794	368	189	iterative	iterative	ADJ
admet-794	368	190	equalization	equalization	NOUN
admet-794	368	191	of	of	ADP
admet-794	368	192	atomic	atomic	ADJ
admet-794	368	193	orbital	orbital	ADJ
admet-794	368	194	electronegativities	electronegativity	NOUN
admet-794	368	195	[	[	X
admet-794	368	196	111	111	NUM
admet-794	368	197	]	]	PUNCT
admet-794	368	198	.	.	PUNCT
admet-794	369	1	admet	admet	PROPN
admet-794	369	2	&	&	CCONJ
admet-794	369	3	dmpk	dmpk	PROPN
admet-794	369	4	8(3	8(3	NUM
admet-794	369	5	)	)	PUNCT
admet-794	369	6	(	(	PUNCT
admet-794	369	7	2020	2020	NUM
admet-794	369	8	)	)	PUNCT
admet-794	369	9	180	180	NUM
admet-794	369	10	-	-	SYM
admet-794	369	11	206	206	NUM
admet-794	369	12	can	can	AUX
admet-794	369	13	small	small	ADJ
admet-794	369	14	drugs	drug	NOUN
admet-794	369	15	predict	predict	VERB
admet-794	369	16	log	log	NOUN
admet-794	369	17	s0	s0	PROPN
admet-794	369	18	of	of	ADP
admet-794	369	19	‘	'	PUNCT
admet-794	369	20	beyond	beyond	ADP
admet-794	369	21	rule	rule	NOUN
admet-794	369	22	of	of	ADP
admet-794	369	23	5	5	NUM
admet-794	369	24	’	'	PUNCT
admet-794	369	25	big	big	ADJ
admet-794	369	26	drugs	drug	NOUN
admet-794	369	27	?	?	PUNCT
admet-794	370	1	doi	doi	NOUN
admet-794	370	2	:	:	PUNCT
admet-794	370	3	http://dx.doi.org/10.5599/admet.794	http://dx.doi.org/10.5599/admet.794	ADJ
admet-794	370	4	197	197	NUM
admet-794	370	5	complexity	complexity	NOUN
admet-794	370	6	descriptors	descriptor	VERB
admet-794	370	7	bertzct	bertzct	PROPN
admet-794	370	8	complexity	complexity	PROPN
admet-794	370	9	index	index	PROPN
admet-794	370	10	,	,	PUNCT
admet-794	370	11	based	base	VERB
admet-794	370	12	on	on	ADP
admet-794	370	13	size	size	NOUN
admet-794	370	14	,	,	PUNCT
admet-794	370	15	symmetry	symmetry	NOUN
admet-794	370	16	,	,	PUNCT
admet-794	370	17	branching	branching	NOUN
admet-794	370	18	,	,	PUNCT
admet-794	370	19	rings	ring	NOUN
admet-794	370	20	,	,	PUNCT
admet-794	370	21	multiple	multiple	ADJ
admet-794	370	22	bonds	bond	NOUN
admet-794	370	23	,	,	PUNCT
admet-794	370	24	and	and	CCONJ
admet-794	370	25	heteroatoms	heteroatom	VERB
admet-794	370	26	characteristic	characteristic	ADJ
admet-794	370	27	of	of	ADP
admet-794	370	28	solute	solute	NOUN
admet-794	370	29	[	[	X
admet-794	370	30	112	112	NUM
admet-794	370	31	]	]	PUNCT
admet-794	370	32	.	.	PUNCT
admet-794	371	1	ipc	ipc	PROPN
admet-794	371	2	content	content	PROPN
admet-794	371	3	information	information	NOUN
admet-794	371	4	of	of	ADP
admet-794	371	5	topological	topological	ADJ
admet-794	371	6	graph	graph	NOUN
admet-794	371	7	[	[	X
admet-794	371	8	113	113	NUM
admet-794	371	9	]	]	PUNCT
admet-794	371	10	entropy	entropy	NOUN
admet-794	371	11	of	of	ADP
admet-794	371	12	atomic	atomic	ADJ
admet-794	371	13	distribution	distribution	NOUN
admet-794	371	14	in	in	ADP
admet-794	371	15	solute	solute	ADJ
admet-794	371	16	topological	topological	ADJ
admet-794	371	17	and	and	CCONJ
admet-794	371	18	electrotopological	electrotopological	ADJ
admet-794	371	19	connectivity	connectivity	NOUN
admet-794	371	20	indices	index	NOUN
admet-794	371	21	chi0	chi0	NOUN
admet-794	371	22	,	,	PUNCT
admet-794	371	23	chi0n	chi0n	NOUN
admet-794	371	24	,	,	PUNCT
admet-794	371	25	chi0v	chi0v	PROPN
admet-794	371	26	,	,	PUNCT
admet-794	371	27	chi1	chi1	PROPN
admet-794	371	28	,	,	PUNCT
admet-794	371	29	chi1n	chi1n	PROPN
admet-794	371	30	,	,	PUNCT
admet-794	371	31	chi4n	chi4n	PROPN
admet-794	371	32	,	,	PUNCT
admet-794	371	33	chi4v	chi4v	NUM
admet-794	371	34	,	,	PUNCT
admet-794	371	35	α	α	PROPN
admet-794	371	36	–	–	PUNCT
admet-794	371	37	kier	kier	PROPN
admet-794	371	38	-	-	PUNCT
admet-794	371	39	hall	hall	NOUN
admet-794	371	40	topological	topological	ADJ
admet-794	371	41	connectivity	connectivity	NOUN
admet-794	371	42	and	and	CCONJ
admet-794	371	43	shape	shape	NOUN
admet-794	371	44	indices	index	NOUN
admet-794	371	45	[	[	X
admet-794	371	46	114,115	114,115	NUM
admet-794	371	47	]	]	PUNCT
admet-794	371	48	;	;	PUNCT
admet-794	371	49	numerical	numerical	ADJ
admet-794	371	50	representations	representation	NOUN
admet-794	371	51	of	of	ADP
admet-794	371	52	topology	topology	NOUN
admet-794	371	53	of	of	ADP
admet-794	371	54	solute	solute	NOUN
admet-794	371	55	calculated	calculate	VERB
admet-794	371	56	from	from	ADP
admet-794	371	57	graphical	graphical	ADJ
admet-794	371	58	depiction	depiction	NOUN
admet-794	371	59	of	of	ADP
admet-794	371	60	the	the	DET
admet-794	371	61	molecule	molecule	NOUN
admet-794	371	62	atomic	atomic	NOUN
admet-794	371	63	and	and	CCONJ
admet-794	371	64	subroup	subroup	NOUN
admet-794	371	65	counts	count	NOUN
admet-794	371	66	,	,	PUNCT
admet-794	371	67	heavyatomcount	heavyatomcount	PROPN
admet-794	371	68	,	,	PUNCT
admet-794	371	69	numberaromaticcarbocycles	numberaromaticcarbocycle	NOUN
admet-794	371	70	,	,	PUNCT
admet-794	371	71	numberaromaticrings	numberaromaticring	NOUN
admet-794	371	72	,	,	PUNCT
admet-794	371	73	ringcount	ringcount	ADJ
admet-794	371	74	,	,	PUNCT
admet-794	371	75	fr_benzene	fr_benzene	ADJ
admet-794	371	76	availability	availability	NOUN
admet-794	371	77	of	of	ADP
admet-794	371	78	the	the	DET
admet-794	371	79	wiki	wiki	NOUN
admet-794	371	80	-	-	PUNCT
admet-794	371	81	ps0	ps0	ADJ
admet-794	371	82	database	database	NOUN
admet-794	371	83	the	the	DET
admet-794	371	84	entire	entire	ADJ
admet-794	371	85	wiki	wiki	NOUN
admet-794	371	86	-	-	PUNCT
admet-794	371	87	ps0	ps0	ADJ
admet-794	371	88	database	database	NOUN
admet-794	371	89	is	be	AUX
admet-794	371	90	planned	plan	VERB
admet-794	371	91	to	to	PART
admet-794	371	92	be	be	AUX
admet-794	371	93	released	release	VERB
admet-794	371	94	in	in	ADP
admet-794	371	95	book	book	NOUN
admet-794	371	96	form	form	NOUN
admet-794	371	97	:	:	PUNCT
admet-794	371	98	a.	a.	NOUN
admet-794	371	99	avdeef	avdeef	PROPN
admet-794	371	100	.	.	PUNCT
admet-794	372	1	intrinsic	intrinsic	ADJ
admet-794	372	2	aqueous	aqueous	ADJ
admet-794	372	3	solubility	solubility	NOUN
admet-794	372	4	data	datum	NOUN
admet-794	372	5	for	for	ADP
admet-794	372	6	pharmaceutical	pharmaceutical	ADJ
admet-794	372	7	research	research	NOUN
admet-794	372	8	.	.	PUNCT
admet-794	373	1	wiley	wiley	PROPN
admet-794	373	2	-	-	PUNCT
admet-794	373	3	interscience	interscience	PROPN
admet-794	373	4	,	,	PUNCT
admet-794	373	5	hoboken	hoboken	PROPN
admet-794	373	6	,	,	PUNCT
admet-794	373	7	nj	nj	PROPN
admet-794	373	8	(	(	PUNCT
admet-794	373	9	under	under	ADP
admet-794	373	10	discussion	discussion	NOUN
admet-794	373	11	with	with	ADP
admet-794	373	12	publisher	publisher	NOUN
admet-794	373	13	)	)	PUNCT
admet-794	373	14	.	.	PUNCT
admet-794	374	1	a	a	DET
admet-794	374	2	sampling	sampling	NOUN
admet-794	374	3	is	be	AUX
admet-794	374	4	presented	present	VERB
admet-794	374	5	in	in	ADP
admet-794	374	6	table	table	NOUN
admet-794	374	7	a5	a5	PROPN
admet-794	374	8	in	in	ADP
admet-794	374	9	[	[	X
admet-794	374	10	20	20	NUM
admet-794	374	11	]	]	PUNCT
admet-794	374	12	.	.	PUNCT
admet-794	375	1	acknowledgements	acknowledgement	NOUN
admet-794	375	2	we	we	PRON
admet-794	375	3	are	be	AUX
admet-794	375	4	grateful	grateful	ADJ
admet-794	375	5	for	for	ADP
admet-794	375	6	helpful	helpful	ADJ
admet-794	375	7	suggestions	suggestion	NOUN
admet-794	375	8	made	make	VERB
admet-794	375	9	by	by	ADP
admet-794	375	10	prof	prof	NOUN
admet-794	375	11	.	.	PUNCT
admet-794	376	1	george	george	PROPN
admet-794	376	2	zografi	zografi	PROPN
admet-794	376	3	(	(	PUNCT
admet-794	376	4	university	university	PROPN
admet-794	376	5	of	of	ADP
admet-794	376	6	wisconsin	wisconsin	PROPN
admet-794	376	7	-	-	PUNCT
admet-794	376	8	madison	madison	NOUN
admet-794	376	9	)	)	PUNCT
admet-794	376	10	regarding	regard	VERB
admet-794	376	11	the	the	DET
admet-794	376	12	role	role	NOUN
admet-794	376	13	of	of	ADP
admet-794	376	14	sorbed	sorb	VERB
admet-794	376	15	water	water	NOUN
admet-794	376	16	in	in	ADP
admet-794	376	17	crystalline	crystalline	ADJ
admet-794	376	18	solids	solid	NOUN
admet-794	376	19	.	.	PUNCT
admet-794	377	1	conflict	conflict	NOUN
admet-794	377	2	of	of	ADP
admet-794	377	3	interest	interest	NOUN
admet-794	377	4	:	:	PUNCT
admet-794	377	5	the	the	DET
admet-794	377	6	authors	author	NOUN
admet-794	377	7	declare	declare	VERB
admet-794	377	8	no	no	DET
admet-794	377	9	conflict	conflict	NOUN
admet-794	377	10	of	of	ADP
admet-794	377	11	interest	interest	NOUN
admet-794	377	12	.	.	PUNCT
admet-794	378	1	references	reference	NOUN
admet-794	378	2	[	[	X
admet-794	378	3	1	1	NUM
admet-794	378	4	]	]	X
admet-794	378	5	c.a	c.a	PROPN
admet-794	378	6	.	.	PROPN
admet-794	378	7	lipinski	lipinski	PROPN
admet-794	378	8	,	,	PUNCT
admet-794	378	9	f.	f.	PROPN
admet-794	378	10	lombardo	lombardo	PROPN
admet-794	378	11	,	,	PUNCT
admet-794	378	12	b.w	b.w	PROPN
admet-794	378	13	.	.	PROPN
admet-794	378	14	dominy	dominy	PROPN
admet-794	378	15	,	,	PUNCT
admet-794	378	16	p.j	p.j	PROPN
admet-794	378	17	.	.	PROPN
admet-794	378	18	feeney	feeney	PROPN
admet-794	378	19	.	.	PUNCT
admet-794	379	1	experimental	experimental	ADJ
admet-794	379	2	and	and	CCONJ
admet-794	379	3	computational	computational	ADJ
admet-794	379	4	approaches	approach	NOUN
admet-794	379	5	to	to	PART
admet-794	379	6	estimate	estimate	VERB
admet-794	379	7	solubility	solubility	NOUN
admet-794	379	8	and	and	CCONJ
admet-794	379	9	permeability	permeability	NOUN
admet-794	379	10	in	in	ADP
admet-794	379	11	drug	drug	NOUN
admet-794	379	12	discovery	discovery	NOUN
admet-794	379	13	and	and	CCONJ
admet-794	379	14	development	development	NOUN
admet-794	379	15	settings	setting	NOUN
admet-794	379	16	.	.	PUNCT
admet-794	380	1	adv	adv	PROPN
admet-794	380	2	.	.	PUNCT
admet-794	380	3	drug	drug	PROPN
admet-794	380	4	delivery	delivery	PROPN
admet-794	380	5	rev	rev	VERB
admet-794	380	6	.	.	PROPN
admet-794	380	7	23	23	NUM
admet-794	380	8	(	(	PUNCT
admet-794	380	9	1997	1997	NUM
admet-794	380	10	)	)	PUNCT
admet-794	380	11	3	3	NUM
admet-794	380	12	-	-	SYM
admet-794	380	13	25	25	NUM
admet-794	380	14	.	.	PUNCT
admet-794	381	1	[	[	X
admet-794	381	2	2	2	X
admet-794	381	3	]	]	PUNCT
admet-794	381	4	d.	d.	PROPN
admet-794	381	5	hörter	hörter	PROPN
admet-794	381	6	,	,	PUNCT
admet-794	381	7	j.b	j.b	PROPN
admet-794	381	8	.	.	PROPN
admet-794	381	9	dressman	dressman	PROPN
admet-794	381	10	.	.	PUNCT
admet-794	382	1	influence	influence	NOUN
admet-794	382	2	of	of	ADP
admet-794	382	3	physicochemical	physicochemical	ADJ
admet-794	382	4	properties	property	NOUN
admet-794	382	5	on	on	ADP
admet-794	382	6	dissolution	dissolution	NOUN
admet-794	382	7	of	of	ADP
admet-794	382	8	drugs	drug	NOUN
admet-794	382	9	in	in	ADP
admet-794	382	10	the	the	DET
admet-794	382	11	gastrointestinal	gastrointestinal	ADJ
admet-794	382	12	tract	tract	NOUN
admet-794	382	13	.	.	PUNCT
admet-794	383	1	adv	adv	PROPN
admet-794	383	2	.	.	PUNCT
admet-794	383	3	drug	drug	PROPN
admet-794	383	4	deliv	deliv	PROPN
admet-794	383	5	.	.	PUNCT
admet-794	384	1	rev	rev	PROPN
admet-794	384	2	.	.	PROPN
admet-794	384	3	25	25	NUM
admet-794	384	4	(	(	PUNCT
admet-794	384	5	1997	1997	NUM
admet-794	384	6	)	)	PUNCT
admet-794	384	7	3	3	NUM
admet-794	384	8	-	-	SYM
admet-794	384	9	14	14	NUM
admet-794	384	10	.	.	PUNCT
admet-794	385	1	[	[	X
admet-794	385	2	3	3	X
admet-794	385	3	]	]	X
admet-794	385	4	l.	l.	PROPN
admet-794	385	5	di	di	PROPN
admet-794	385	6	,	,	PUNCT
admet-794	385	7	p.v	p.v	PROPN
admet-794	385	8	.	.	PROPN
admet-794	385	9	fish	fish	NOUN
admet-794	385	10	,	,	PUNCT
admet-794	385	11	t.	t.	PROPN
admet-794	385	12	mano	mano	PROPN
admet-794	385	13	.	.	PUNCT
admet-794	386	1	bridging	bridging	NOUN
admet-794	386	2	solubility	solubility	NOUN
admet-794	386	3	between	between	ADP
admet-794	386	4	drug	drug	NOUN
admet-794	386	5	discovery	discovery	NOUN
admet-794	386	6	and	and	CCONJ
admet-794	386	7	development	development	NOUN
admet-794	386	8	.	.	PUNCT
admet-794	387	1	drug	drug	NOUN
admet-794	387	2	disc	disc	NOUN
admet-794	387	3	.	.	PUNCT
admet-794	388	1	today	today	NOUN
admet-794	388	2	17	17	NUM
admet-794	388	3	(	(	PUNCT
admet-794	388	4	2012	2012	NUM
admet-794	388	5	)	)	PUNCT
admet-794	388	6	486	486	NUM
admet-794	388	7	-	-	SYM
admet-794	388	8	495	495	NUM
admet-794	388	9	.	.	PUNCT
admet-794	389	1	[	[	X
admet-794	389	2	4	4	X
admet-794	389	3	]	]	PUNCT
admet-794	389	4	c.a.s	c.a.s	PROPN
admet-794	389	5	.	.	PUNCT
admet-794	389	6	bergström	bergström	PROPN
admet-794	389	7	,	,	PUNCT
admet-794	390	1	r.	r.	PROPN
admet-794	390	2	holm	holm	PROPN
admet-794	390	3	,	,	PUNCT
admet-794	390	4	s.a	s.a	PROPN
admet-794	390	5	.	.	PROPN
admet-794	390	6	jørgensen	jørgensen	PROPN
admet-794	390	7	,	,	PUNCT
admet-794	390	8	s.b.e	s.b.e	NOUN
admet-794	390	9	.	.	PUNCT
admet-794	390	10	andersson	andersson	PROPN
admet-794	390	11	,	,	PUNCT
admet-794	390	12	p.	p.	PROPN
admet-794	390	13	artursson	artursson	PROPN
admet-794	390	14	,	,	PUNCT
admet-794	390	15	s.	s.	PROPN
admet-794	390	16	beato	beato	PROPN
admet-794	390	17	,	,	PUNCT
admet-794	390	18	a.	a.	PROPN
admet-794	390	19	borde	borde	PROPN
admet-794	390	20	,	,	PUNCT
admet-794	390	21	k.	k.	PROPN
admet-794	390	22	box	box	PROPN
admet-794	390	23	,	,	PUNCT
admet-794	390	24	m.	m.	NOUN
admet-794	390	25	brewster	brewster	NOUN
admet-794	390	26	,	,	PUNCT
admet-794	390	27	j.	j.	PROPN
admet-794	390	28	dressman	dressman	PROPN
admet-794	390	29	,	,	PUNCT
admet-794	390	30	k.-i	k.-i	PROPN
admet-794	390	31	.	.	PUNCT
admet-794	391	1	feng	feng	PROPN
admet-794	391	2	,	,	PUNCT
admet-794	391	3	g.	g.	PROPN
admet-794	391	4	halbert	halbert	PROPN
admet-794	391	5	,	,	PUNCT
admet-794	391	6	e.	e.	PROPN
admet-794	391	7	kostewicz	kostewicz	PROPN
admet-794	391	8	,	,	PUNCT
admet-794	391	9	m.	m.	NOUN
admet-794	391	10	mcallister	mcallister	PROPN
admet-794	391	11	,	,	PUNCT
admet-794	391	12	u.	u.	PROPN
admet-794	391	13	muenster	muenster	PROPN
admet-794	391	14	,	,	PUNCT
admet-794	391	15	j.	j.	PROPN
admet-794	391	16	thinnes	thinnes	PROPN
admet-794	391	17	,	,	PUNCT
admet-794	391	18	r.	r.	PROPN
admet-794	391	19	taylor	taylor	PROPN
admet-794	391	20	,	,	PUNCT
admet-794	391	21	a.	a.	NOUN
admet-794	391	22	mullertz	mullertz	NOUN
admet-794	391	23	.	.	PUNCT
admet-794	392	1	early	early	ADJ
admet-794	392	2	pharmaceutical	pharmaceutical	NOUN
admet-794	392	3	profiling	profiling	NOUN
admet-794	392	4	to	to	PART
admet-794	392	5	predict	predict	VERB
admet-794	392	6	oral	oral	ADJ
admet-794	392	7	drug	drug	NOUN
admet-794	392	8	absorption	absorption	NOUN
admet-794	392	9	:	:	PUNCT
admet-794	392	10	current	current	ADJ
admet-794	392	11	status	status	NOUN
admet-794	392	12	and	and	CCONJ
admet-794	392	13	unmet	unmet	NOUN
admet-794	392	14	needs	need	NOUN
admet-794	392	15	.	.	PUNCT
admet-794	393	1	eur	eur	PROPN
admet-794	393	2	.	.	PUNCT
admet-794	394	1	j.	j.	PROPN
admet-794	394	2	pharm	pharm	PROPN
admet-794	394	3	.	.	PUNCT
admet-794	395	1	sci	sci	PROPN
admet-794	395	2	.	.	PROPN
admet-794	396	1	57	57	NUM
admet-794	396	2	(	(	PUNCT
admet-794	396	3	2014	2014	NUM
admet-794	396	4	)	)	PUNCT
admet-794	396	5	173	173	NUM
admet-794	396	6	-	-	SYM
admet-794	396	7	199	199	NUM
admet-794	396	8	.	.	PUNCT
admet-794	397	1	[	[	X
admet-794	397	2	5	5	NUM
admet-794	397	3	]	]	X
admet-794	397	4	j.c	j.c	PROPN
admet-794	397	5	.	.	PROPN
admet-794	397	6	dearden	dearden	PROPN
admet-794	397	7	.	.	PUNCT
admet-794	398	1	in	in	ADP
admet-794	398	2	silico	silico	NOUN
admet-794	398	3	prediction	prediction	NOUN
admet-794	398	4	of	of	ADP
admet-794	398	5	aqueous	aqueous	ADJ
admet-794	398	6	solubility	solubility	NOUN
admet-794	398	7	.	.	PUNCT
admet-794	399	1	expert	expert	NOUN
admet-794	399	2	opin	opin	NOUN
admet-794	399	3	.	.	PUNCT
admet-794	400	1	drug	drug	NOUN
admet-794	400	2	discov	discov	NOUN
admet-794	400	3	.	.	PUNCT
admet-794	401	1	1	1	NUM
admet-794	401	2	(	(	PUNCT
admet-794	401	3	2006	2006	NUM
admet-794	401	4	)	)	PUNCT
admet-794	401	5	31–52	31–52	NUM
admet-794	401	6	.	.	PUNCT
admet-794	402	1	[	[	X
admet-794	402	2	6	6	NUM
admet-794	402	3	]	]	PUNCT
admet-794	402	4	j.	j.	PROPN
admet-794	402	5	taskinen	taskinen	PROPN
admet-794	402	6	,	,	PUNCT
admet-794	402	7	u.	u.	PROPN
admet-794	402	8	norinder	norinder	PROPN
admet-794	402	9	.	.	PUNCT
admet-794	403	1	in	in	ADP
admet-794	403	2	silico	silico	NOUN
admet-794	403	3	prediction	prediction	NOUN
admet-794	403	4	of	of	ADP
admet-794	403	5	solubility	solubility	NOUN
admet-794	403	6	.	.	PUNCT
admet-794	404	1	in	in	ADP
admet-794	404	2	:	:	PUNCT
admet-794	404	3	b.	b.	PROPN
admet-794	404	4	testa	testa	PROPN
admet-794	404	5	,	,	PUNCT
admet-794	404	6	h.	h.	PROPN
admet-794	404	7	van	van	PROPN
admet-794	404	8	de	de	PROPN
admet-794	404	9	waterbeemd	waterbeemd	PROPN
admet-794	404	10	(	(	PUNCT
admet-794	404	11	eds	ed	NOUN
admet-794	404	12	.	.	PUNCT
admet-794	404	13	)	)	PUNCT
admet-794	404	14	.	.	PUNCT
admet-794	405	1	comprehensive	comprehensive	ADJ
admet-794	405	2	medicinal	medicinal	PROPN
admet-794	405	3	chemistry	chemistry	PROPN
admet-794	405	4	ii	ii	PROPN
admet-794	405	5	,	,	PUNCT
admet-794	405	6	elsevier	elsevier	NOUN
admet-794	405	7	:	:	PUNCT
admet-794	405	8	oxford	oxford	PROPN
admet-794	405	9	,	,	PUNCT
admet-794	405	10	uk	uk	PROPN
admet-794	405	11	,	,	PUNCT
admet-794	405	12	2007	2007	NUM
admet-794	405	13	,	,	PUNCT
admet-794	405	14	pp	pp	ADJ
admet-794	405	15	.	.	PUNCT
admet-794	406	1	627	627	NUM
admet-794	406	2	-	-	SYM
admet-794	406	3	648	648	NUM
admet-794	406	4	.	.	PUNCT
admet-794	407	1	[	[	X
admet-794	407	2	7	7	X
admet-794	407	3	]	]	PUNCT
admet-794	407	4	j.	j.	PROPN
admet-794	407	5	wang	wang	PROPN
admet-794	407	6	,	,	PUNCT
admet-794	407	7	t.	t.	PROPN
admet-794	407	8	hou	hou	PROPN
admet-794	407	9	.	.	PUNCT
admet-794	408	1	recent	recent	ADJ
admet-794	408	2	advances	advance	NOUN
admet-794	408	3	on	on	ADP
admet-794	408	4	aqueous	aqueous	ADJ
admet-794	408	5	solubility	solubility	NOUN
admet-794	408	6	prediction	prediction	NOUN
admet-794	408	7	.	.	PUNCT
admet-794	409	1	comb	comb	NOUN
admet-794	409	2	.	.	PUNCT
admet-794	410	1	chem	chem	NOUN
admet-794	410	2	.	.	PUNCT
admet-794	411	1	highthroughput	highthroughput	NOUN
admet-794	411	2	screen	screen	NOUN
admet-794	411	3	.	.	PUNCT
admet-794	412	1	14	14	NUM
admet-794	412	2	(	(	PUNCT
admet-794	412	3	2011	2011	NUM
admet-794	412	4	)	)	PUNCT
admet-794	412	5	328	328	NUM
admet-794	412	6	-	-	SYM
admet-794	412	7	338	338	NUM
admet-794	412	8	.	.	PUNCT
admet-794	413	1	[	[	X
admet-794	413	2	8	8	NUM
admet-794	413	3	]	]	X
admet-794	413	4	s.h	s.h	ADJ
admet-794	413	5	.	.	NOUN
admet-794	413	6	yalkowsky	yalkowsky	ADJ
admet-794	413	7	,	,	PUNCT
admet-794	413	8	s.c	s.c	PROPN
admet-794	413	9	.	.	PROPN
admet-794	413	10	valvani	valvani	PROPN
admet-794	413	11	.	.	PUNCT
admet-794	414	1	solubility	solubility	NOUN
admet-794	414	2	and	and	CCONJ
admet-794	414	3	partitioning	partition	VERB
admet-794	414	4	i	i	PRON
admet-794	414	5	:	:	PUNCT
admet-794	414	6	solubility	solubility	NOUN
admet-794	414	7	of	of	ADP
admet-794	414	8	nonelectrolytes	nonelectrolyte	NOUN
admet-794	414	9	in	in	ADP
admet-794	414	10	water	water	NOUN
admet-794	414	11	.	.	PUNCT
admet-794	415	1	j.	j.	PROPN
admet-794	415	2	pharm	pharm	PROPN
admet-794	415	3	.	.	PUNCT
admet-794	416	1	sci	sci	PROPN
admet-794	416	2	.	.	PROPN
admet-794	416	3	69	69	NUM
admet-794	416	4	(	(	PUNCT
admet-794	416	5	1980	1980	NUM
admet-794	416	6	)	)	PUNCT
admet-794	416	7	912	912	NUM
admet-794	416	8	-	-	SYM
admet-794	416	9	922	922	NUM
admet-794	416	10	.	.	PUNCT
admet-794	417	1	[	[	X
admet-794	417	2	9	9	NUM
admet-794	417	3	]	]	X
admet-794	417	4	s.h	s.h	ADJ
admet-794	417	5	.	.	NOUN
admet-794	417	6	yalkowsky	yalkowsky	PROPN
admet-794	417	7	,	,	PUNCT
admet-794	417	8	s.	s.	PROPN
admet-794	417	9	banerjee	banerjee	PROPN
admet-794	417	10	.	.	PUNCT
admet-794	418	1	aqueous	aqueous	ADJ
admet-794	418	2	solubility	solubility	NOUN
admet-794	418	3	:	:	PUNCT
admet-794	418	4	methods	method	NOUN
admet-794	418	5	of	of	ADP
admet-794	418	6	estimation	estimation	NOUN
admet-794	418	7	for	for	ADP
admet-794	418	8	organic	organic	ADJ
admet-794	418	9	compounds	compound	NOUN
admet-794	418	10	.	.	PUNCT
admet-794	419	1	marcel	marcel	PROPN
admet-794	419	2	dekker	dekker	PROPN
admet-794	419	3	,	,	PUNCT
admet-794	419	4	inc	inc	PROPN
admet-794	419	5	.	.	PROPN
admet-794	419	6	,	,	PUNCT
admet-794	419	7	new	new	PROPN
admet-794	419	8	york	york	PROPN
admet-794	419	9	,	,	PUNCT
admet-794	419	10	1992	1992	NUM
admet-794	419	11	,	,	PUNCT
admet-794	419	12	p.	p.	NOUN
admet-794	419	13	142	142	NUM
admet-794	419	14	.	.	PUNCT
admet-794	420	1	[	[	X
admet-794	420	2	10	10	NUM
admet-794	420	3	]	]	X
admet-794	420	4	g.	g.	PROPN
admet-794	420	5	klopman	klopman	PROPN
admet-794	420	6	,	,	PUNCT
admet-794	420	7	s.	s.	PROPN
admet-794	420	8	wang	wang	PROPN
admet-794	420	9	,	,	PUNCT
admet-794	420	10	d.m	d.m	PROPN
admet-794	420	11	.	.	PUNCT
admet-794	420	12	balthasar	balthasar	PROPN
admet-794	420	13	.	.	PUNCT
admet-794	421	1	estimation	estimation	NOUN
admet-794	421	2	of	of	ADP
admet-794	421	3	aqueous	aqueous	ADJ
admet-794	421	4	solubility	solubility	NOUN
admet-794	421	5	of	of	ADP
admet-794	421	6	organic	organic	ADJ
admet-794	421	7	molecules	molecule	NOUN
admet-794	421	8	by	by	ADP
admet-794	421	9	the	the	DET
admet-794	421	10	group	group	NOUN
admet-794	421	11	contribution	contribution	NOUN
admet-794	421	12	approach	approach	NOUN
admet-794	421	13	.	.	PUNCT
admet-794	422	1	application	application	NOUN
admet-794	422	2	to	to	ADP
admet-794	422	3	the	the	DET
admet-794	422	4	study	study	NOUN
admet-794	422	5	of	of	ADP
admet-794	422	6	biodegradation	biodegradation	NOUN
admet-794	422	7	.	.	PUNCT
admet-794	423	1	j.	j.	PROPN
admet-794	423	2	chem	chem	PROPN
admet-794	423	3	.	.	PUNCT
admet-794	424	1	inf	inf	PROPN
admet-794	424	2	.	.	PUNCT
admet-794	424	3	comput	comput	PROPN
admet-794	424	4	.	.	PUNCT
admet-794	425	1	sci	sci	PROPN
admet-794	425	2	.	.	PROPN
admet-794	425	3	32	32	NUM
admet-794	425	4	(	(	PUNCT
admet-794	425	5	1992	1992	NUM
admet-794	425	6	)	)	PUNCT
admet-794	425	7	474	474	NUM
admet-794	425	8	-	-	SYM
admet-794	425	9	482	482	NUM
admet-794	425	10	.	.	PUNCT
admet-794	425	11	http://dx.doi.org/10.5599/admet.794	http://dx.doi.org/10.5599/admet.794	ADJ
admet-794	425	12	alex	alex	PROPN
admet-794	425	13	avdeef	avdeef	PROPN
admet-794	425	14	and	and	CCONJ
admet-794	425	15	manfred	manfred	PROPN
admet-794	425	16	kansy	kansy	PROPN
admet-794	425	17	admet	admet	PROPN
admet-794	425	18	&	&	CCONJ
admet-794	425	19	dmpk	dmpk	PROPN
admet-794	425	20	8(3	8(3	NUM
admet-794	425	21	)	)	PUNCT
admet-794	425	22	(	(	PUNCT
admet-794	425	23	2020	2020	NUM
admet-794	425	24	)	)	PUNCT
admet-794	425	25	180	180	NUM
admet-794	425	26	-	-	SYM
admet-794	425	27	206	206	NUM
admet-794	425	28	198	198	NUM
admet-794	425	29	[	[	X
admet-794	425	30	11	11	NUM
admet-794	425	31	]	]	X
admet-794	425	32	m.h	m.h	PROPN
admet-794	425	33	.	.	PROPN
admet-794	425	34	abraham	abraham	PROPN
admet-794	425	35	,	,	PUNCT
admet-794	425	36	j.	j.	PROPN
admet-794	425	37	le	le	PROPN
admet-794	425	38	.	.	PUNCT
admet-794	426	1	the	the	DET
admet-794	426	2	correlation	correlation	NOUN
admet-794	426	3	and	and	CCONJ
admet-794	426	4	prediction	prediction	NOUN
admet-794	426	5	of	of	ADP
admet-794	426	6	the	the	DET
admet-794	426	7	solubility	solubility	NOUN
admet-794	426	8	of	of	ADP
admet-794	426	9	compounds	compound	NOUN
admet-794	426	10	in	in	ADP
admet-794	426	11	water	water	NOUN
admet-794	426	12	using	use	VERB
admet-794	426	13	an	an	DET
admet-794	426	14	amended	amend	VERB
admet-794	426	15	solvation	solvation	NOUN
admet-794	426	16	energy	energy	NOUN
admet-794	426	17	relationship	relationship	NOUN
admet-794	426	18	.	.	PUNCT
admet-794	427	1	j.	j.	PROPN
admet-794	427	2	pharm	pharm	PROPN
admet-794	427	3	.	.	PUNCT
admet-794	428	1	sci	sci	PROPN
admet-794	428	2	.	.	PROPN
admet-794	428	3	88	88	NUM
admet-794	428	4	(	(	PUNCT
admet-794	428	5	1999	1999	NUM
admet-794	428	6	)	)	PUNCT
admet-794	428	7	868	868	NUM
admet-794	428	8	-	-	SYM
admet-794	428	9	880	880	NUM
admet-794	428	10	.	.	PUNCT
admet-794	429	1	[	[	X
admet-794	429	2	12	12	NUM
admet-794	429	3	]	]	PUNCT
admet-794	429	4	j.	j.	PROPN
admet-794	429	5	huuskonen	huuskonen	PROPN
admet-794	429	6	.	.	PUNCT
admet-794	430	1	estimation	estimation	NOUN
admet-794	430	2	of	of	ADP
admet-794	430	3	aqueous	aqueous	ADJ
admet-794	430	4	solubility	solubility	NOUN
admet-794	430	5	for	for	ADP
admet-794	430	6	a	a	DET
admet-794	430	7	diverse	diverse	ADJ
admet-794	430	8	set	set	NOUN
admet-794	430	9	of	of	ADP
admet-794	430	10	organic	organic	ADJ
admet-794	430	11	compounds	compound	NOUN
admet-794	430	12	based	base	VERB
admet-794	430	13	on	on	ADP
admet-794	430	14	molecular	molecular	ADJ
admet-794	430	15	topology	topology	NOUN
admet-794	430	16	.	.	PUNCT
admet-794	431	1	j.	j.	PROPN
admet-794	431	2	chem	chem	PROPN
admet-794	431	3	.	.	PUNCT
admet-794	432	1	inf	inf	PROPN
admet-794	432	2	.	.	PUNCT
admet-794	432	3	comput	comput	PROPN
admet-794	432	4	.	.	PUNCT
admet-794	433	1	sci	sci	PROPN
admet-794	433	2	.	.	PROPN
admet-794	433	3	40	40	NUM
admet-794	433	4	(	(	PUNCT
admet-794	433	5	2000	2000	NUM
admet-794	433	6	)	)	PUNCT
admet-794	433	7	773	773	NUM
admet-794	433	8	-	-	SYM
admet-794	433	9	777	777	NUM
admet-794	433	10	.	.	PUNCT
admet-794	434	1	[	[	X
admet-794	434	2	13	13	NUM
admet-794	434	3	]	]	SYM
admet-794	434	4	i.v	i.v	PROPN
admet-794	434	5	.	.	PUNCT
admet-794	434	6	tetko	tetko	PROPN
admet-794	434	7	,	,	PUNCT
admet-794	434	8	v.yu	v.yu	PROPN
admet-794	434	9	.	.	PROPN
admet-794	434	10	tanchuk	tanchuk	PROPN
admet-794	434	11	,	,	PUNCT
admet-794	434	12	t.n	t.n	PROPN
admet-794	434	13	.	.	PROPN
admet-794	434	14	kasheva	kasheva	PROPN
admet-794	434	15	,	,	PUNCT
admet-794	434	16	a.e.p	a.e.p	PROPN
admet-794	434	17	.	.	PUNCT
admet-794	435	1	villa	villa	PROPN
admet-794	435	2	.	.	PUNCT
admet-794	436	1	estimation	estimation	NOUN
admet-794	436	2	of	of	ADP
admet-794	436	3	aqueous	aqueous	ADJ
admet-794	436	4	solubility	solubility	NOUN
admet-794	436	5	of	of	ADP
admet-794	436	6	chemical	chemical	NOUN
admet-794	436	7	compounds	compound	NOUN
admet-794	436	8	using	use	VERB
admet-794	436	9	e	e	NOUN
admet-794	436	10	-	-	NOUN
admet-794	436	11	state	state	NOUN
admet-794	436	12	indices	index	NOUN
admet-794	436	13	.	.	PUNCT
admet-794	437	1	j.	j.	PROPN
admet-794	437	2	chem	chem	PROPN
admet-794	437	3	.	.	PUNCT
admet-794	438	1	inf	inf	PROPN
admet-794	438	2	.	.	PUNCT
admet-794	438	3	comput	comput	PROPN
admet-794	438	4	.	.	PUNCT
admet-794	439	1	sci	sci	PROPN
admet-794	439	2	.	.	PROPN
admet-794	440	1	41	41	NUM
admet-794	440	2	(	(	PUNCT
admet-794	440	3	2001	2001	NUM
admet-794	440	4	)	)	PUNCT
admet-794	440	5	1488	1488	NUM
admet-794	440	6	-	-	SYM
admet-794	440	7	1493	1493	NUM
admet-794	440	8	.	.	PUNCT
admet-794	441	1	[	[	X
admet-794	441	2	14	14	NUM
admet-794	441	3	]	]	PUNCT
admet-794	441	4	a.	a.	PROPN
admet-794	441	5	yan	yan	PROPN
admet-794	441	6	,	,	PUNCT
admet-794	441	7	j.	j.	PROPN
admet-794	441	8	gasteiger	gasteiger	PROPN
admet-794	441	9	.	.	PUNCT
admet-794	442	1	prediction	prediction	NOUN
admet-794	442	2	of	of	ADP
admet-794	442	3	aqueous	aqueous	ADJ
admet-794	442	4	solubility	solubility	NOUN
admet-794	442	5	of	of	ADP
admet-794	442	6	organic	organic	ADJ
admet-794	442	7	compounds	compound	NOUN
admet-794	442	8	based	base	VERB
admet-794	442	9	on	on	ADP
admet-794	442	10	a	a	DET
admet-794	442	11	3d	3d	NUM
admet-794	442	12	structure	structure	NOUN
admet-794	442	13	representation	representation	NOUN
admet-794	442	14	.	.	PUNCT
admet-794	443	1	j.	j.	PROPN
admet-794	443	2	chem	chem	PROPN
admet-794	443	3	.	.	PUNCT
admet-794	444	1	inf	inf	PROPN
admet-794	444	2	.	.	PUNCT
admet-794	444	3	comput	comput	PROPN
admet-794	444	4	.	.	PUNCT
admet-794	445	1	sci	sci	PROPN
admet-794	445	2	.	.	PROPN
admet-794	446	1	43	43	NUM
admet-794	446	2	(	(	PUNCT
admet-794	446	3	2003	2003	NUM
admet-794	446	4	)	)	PUNCT
admet-794	446	5	429	429	NUM
admet-794	446	6	-	-	SYM
admet-794	446	7	434	434	NUM
admet-794	446	8	.	.	PUNCT
admet-794	447	1	[	[	X
admet-794	447	2	15	15	NUM
admet-794	447	3	]	]	X
admet-794	447	4	o.a	o.a	PROPN
admet-794	447	5	.	.	PROPN
admet-794	447	6	raevsky	raevsky	PROPN
admet-794	447	7	,	,	PUNCT
admet-794	447	8	o.e	o.e	PROPN
admet-794	447	9	.	.	PROPN
admet-794	447	10	raevskaya	raevskaya	PROPN
admet-794	447	11	,	,	PUNCT
admet-794	447	12	k.-j	k.-j	PROPN
admet-794	447	13	.	.	PUNCT
admet-794	447	14	schaper	schaper	NOUN
admet-794	447	15	.	.	PUNCT
admet-794	448	1	analysis	analysis	NOUN
admet-794	448	2	of	of	ADP
admet-794	448	3	water	water	NOUN
admet-794	448	4	solubility	solubility	NOUN
admet-794	448	5	data	datum	NOUN
admet-794	448	6	on	on	ADP
admet-794	448	7	the	the	DET
admet-794	448	8	basis	basis	NOUN
admet-794	448	9	of	of	ADP
admet-794	448	10	hybot	hybot	NOUN
admet-794	448	11	descriptors	descriptor	NOUN
admet-794	448	12	.	.	PUNCT
admet-794	449	1	part	part	NOUN
admet-794	449	2	3	3	NUM
admet-794	449	3	.	.	PUNCT
admet-794	450	1	solubility	solubility	NOUN
admet-794	450	2	of	of	ADP
admet-794	450	3	solid	solid	ADJ
admet-794	450	4	neutral	neutral	ADJ
admet-794	450	5	chemicals	chemical	NOUN
admet-794	450	6	and	and	CCONJ
admet-794	450	7	drugs	drug	NOUN
admet-794	450	8	.	.	PUNCT
admet-794	451	1	qsar	qsar	NOUN
admet-794	451	2	comb	comb	NOUN
admet-794	451	3	.	.	PUNCT
admet-794	452	1	sci	sci	PROPN
admet-794	452	2	.	.	PROPN
admet-794	453	1	23	23	NUM
admet-794	453	2	(	(	PUNCT
admet-794	453	3	2004	2004	NUM
admet-794	453	4	)	)	PUNCT
admet-794	453	5	327343	327343	NUM
admet-794	453	6	.	.	PUNCT
admet-794	454	1	[	[	X
admet-794	454	2	16	16	NUM
admet-794	454	3	]	]	X
admet-794	454	4	h.	h.	PROPN
admet-794	454	5	sun	sun	PROPN
admet-794	454	6	.	.	PUNCT
admet-794	455	1	a	a	DET
admet-794	455	2	practical	practical	ADJ
admet-794	455	3	guide	guide	NOUN
admet-794	455	4	to	to	ADP
admet-794	455	5	rational	rational	ADJ
admet-794	455	6	drug	drug	NOUN
admet-794	455	7	design	design	NOUN
admet-794	455	8	.	.	PUNCT
admet-794	456	1	elsevier	elsevier	PROPN
admet-794	456	2	,	,	PUNCT
admet-794	456	3	amsterdam	amsterdam	PROPN
admet-794	456	4	,	,	PUNCT
admet-794	456	5	2015	2015	NUM
admet-794	456	6	,	,	PUNCT
admet-794	456	7	pp	pp	ADJ
admet-794	456	8	.	.	PUNCT
admet-794	457	1	193	193	NUM
admet-794	457	2	-	-	SYM
admet-794	457	3	223	223	NUM
admet-794	457	4	.	.	PUNCT
admet-794	458	1	[	[	X
admet-794	458	2	17	17	NUM
admet-794	458	3	]	]	X
admet-794	458	4	d.s	d.s	PROPN
admet-794	458	5	.	.	PROPN
admet-794	458	6	palmer	palmer	PROPN
admet-794	458	7	,	,	PUNCT
admet-794	458	8	n.m	n.m	PROPN
admet-794	458	9	.	.	PROPN
admet-794	458	10	o’boyle	o’boyle	PROPN
admet-794	458	11	,	,	PUNCT
admet-794	458	12	r.c	r.c	PROPN
admet-794	458	13	.	.	PROPN
admet-794	458	14	glen	glen	PROPN
admet-794	458	15	,	,	PUNCT
admet-794	458	16	j.b.o	j.b.o	PROPN
admet-794	458	17	.	.	PROPN
admet-794	458	18	mitchell	mitchell	PROPN
admet-794	458	19	.	.	PUNCT
admet-794	459	1	random	random	ADJ
admet-794	459	2	forest	forest	NOUN
admet-794	459	3	models	model	NOUN
admet-794	459	4	to	to	PART
admet-794	459	5	predict	predict	VERB
admet-794	459	6	aqueous	aqueous	ADJ
admet-794	459	7	solubility	solubility	NOUN
admet-794	459	8	.	.	PUNCT
admet-794	460	1	j.	j.	PROPN
admet-794	460	2	chem	chem	PROPN
admet-794	460	3	.	.	PUNCT
admet-794	461	1	inf	inf	PROPN
admet-794	461	2	.	.	PROPN
admet-794	461	3	model	model	PROPN
admet-794	461	4	.	.	PUNCT
admet-794	462	1	47	47	NUM
admet-794	462	2	(	(	PUNCT
admet-794	462	3	2007	2007	NUM
admet-794	462	4	)	)	PUNCT
admet-794	462	5	150	150	NUM
admet-794	462	6	-	-	SYM
admet-794	462	7	158	158	NUM
admet-794	462	8	.	.	PUNCT
admet-794	463	1	[	[	X
admet-794	463	2	18	18	NUM
admet-794	463	3	]	]	X
admet-794	463	4	d.s	d.s	PROPN
admet-794	463	5	.	.	PROPN
admet-794	463	6	palmer	palmer	PROPN
admet-794	463	7	,	,	PUNCT
admet-794	463	8	j.b.o	j.b.o	PROPN
admet-794	463	9	.	.	PROPN
admet-794	463	10	mitchell	mitchell	PROPN
admet-794	463	11	.	.	PUNCT
admet-794	463	12	is	be	AUX
admet-794	463	13	experimental	experimental	ADJ
admet-794	463	14	data	datum	NOUN
admet-794	463	15	quality	quality	NOUN
admet-794	463	16	the	the	DET
admet-794	463	17	limiting	limit	VERB
admet-794	463	18	factor	factor	NOUN
admet-794	463	19	in	in	ADP
admet-794	463	20	predicting	predict	VERB
admet-794	463	21	the	the	DET
admet-794	463	22	aqueous	aqueous	ADJ
admet-794	463	23	solubility	solubility	NOUN
admet-794	463	24	of	of	ADP
admet-794	463	25	druglike	druglike	ADJ
admet-794	463	26	molecules	molecule	NOUN
admet-794	463	27	?	?	PUNCT
admet-794	464	1	mol	mol	PROPN
admet-794	464	2	.	.	PUNCT
admet-794	465	1	pharmaceutics	pharmaceutic	NOUN
admet-794	465	2	11	11	NUM
admet-794	465	3	(	(	PUNCT
admet-794	465	4	2014	2014	NUM
admet-794	465	5	)	)	PUNCT
admet-794	465	6	2962	2962	NUM
admet-794	465	7	-	-	SYM
admet-794	465	8	2972	2972	NUM
admet-794	465	9	.	.	PUNCT
admet-794	466	1	[	[	X
admet-794	466	2	19	19	NUM
admet-794	466	3	]	]	SYM
admet-794	466	4	w.p	w.p	PROPN
admet-794	466	5	.	.	PROPN
admet-794	466	6	walters	walters	PROPN
admet-794	466	7	.	.	PUNCT
admet-794	467	1	what	what	PRON
admet-794	467	2	are	be	AUX
admet-794	467	3	our	our	PRON
admet-794	467	4	models	model	NOUN
admet-794	467	5	really	really	ADV
admet-794	467	6	telling	tell	VERB
admet-794	467	7	us	we	PRON
admet-794	467	8	?	?	PUNCT
admet-794	468	1	a	a	DET
admet-794	468	2	practical	practical	ADJ
admet-794	468	3	tutorial	tutorial	NOUN
admet-794	468	4	on	on	ADP
admet-794	468	5	avoiding	avoid	VERB
admet-794	468	6	common	common	ADJ
admet-794	468	7	mistakes	mistake	NOUN
admet-794	468	8	when	when	SCONJ
admet-794	468	9	building	build	VERB
admet-794	468	10	predictive	predictive	ADJ
admet-794	468	11	models	model	NOUN
admet-794	468	12	.	.	PUNCT
admet-794	469	1	in	in	ADP
admet-794	469	2	:	:	PUNCT
admet-794	469	3	j.	j.	PROPN
admet-794	469	4	bajorath	bajorath	PROPN
admet-794	469	5	(	(	PUNCT
admet-794	469	6	ed	ed	NOUN
admet-794	469	7	.	.	PUNCT
admet-794	469	8	)	)	PUNCT
admet-794	469	9	.	.	PUNCT
admet-794	470	1	chemoinformatics	chemoinformatic	NOUN
admet-794	470	2	for	for	ADP
admet-794	470	3	drug	drug	NOUN
admet-794	470	4	discovery	discovery	NOUN
admet-794	470	5	.	.	PUNCT
admet-794	471	1	john	john	PROPN
admet-794	471	2	wiley	wiley	PROPN
admet-794	471	3	&	&	CCONJ
admet-794	471	4	sons	sons	PROPN
admet-794	471	5	,	,	PUNCT
admet-794	471	6	hoboken	hoboken	PROPN
admet-794	471	7	,	,	PUNCT
admet-794	471	8	nj	nj	PROPN
admet-794	471	9	,	,	PUNCT
admet-794	471	10	2014	2014	NUM
admet-794	471	11	,	,	PUNCT
admet-794	471	12	pp	pp	ADJ
admet-794	471	13	.	.	PUNCT
admet-794	472	1	1	1	NUM
admet-794	472	2	-	-	SYM
admet-794	472	3	31	31	NUM
admet-794	472	4	.	.	PUNCT
admet-794	473	1	[	[	X
admet-794	473	2	20	20	NUM
admet-794	473	3	]	]	PUNCT
admet-794	473	4	a.	a.	NOUN
admet-794	473	5	avdeef	avdeef	PROPN
admet-794	473	6	.	.	PUNCT
admet-794	474	1	prediction	prediction	NOUN
admet-794	474	2	of	of	ADP
admet-794	474	3	aqueous	aqueous	ADJ
admet-794	474	4	intrinsic	intrinsic	ADJ
admet-794	474	5	solubility	solubility	NOUN
admet-794	474	6	of	of	ADP
admet-794	474	7	druglike	druglike	ADJ
admet-794	474	8	molecules	molecule	NOUN
admet-794	474	9	using	use	VERB
admet-794	474	10	random	random	ADJ
admet-794	474	11	forest	forest	NOUN
admet-794	474	12	regression	regression	NOUN
admet-794	474	13	trained	train	VERB
admet-794	474	14	with	with	ADP
admet-794	474	15	wiki	wiki	NOUN
admet-794	474	16	-	-	PUNCT
admet-794	474	17	ps0	ps0	ADJ
admet-794	474	18	database	database	NOUN
admet-794	474	19	.	.	PUNCT
admet-794	475	1	admet	admet	PROPN
admet-794	475	2	&	&	CCONJ
admet-794	475	3	dmpk	dmpk	PROPN
admet-794	475	4	8	8	NUM
admet-794	475	5	(	(	PUNCT
admet-794	475	6	2020	2020	NUM
admet-794	475	7	)	)	PUNCT
admet-794	475	8	29	29	NUM
admet-794	475	9	-	-	SYM
admet-794	475	10	77	77	NUM
admet-794	475	11	;	;	PUNCT
admet-794	475	12	doi	doi	NOUN
admet-794	475	13	:	:	PUNCT
admet-794	475	14	http://dx.doi.org/10.5599/admet.766	http://dx.doi.org/10.5599/admet.766	NOUN
admet-794	475	15	.	.	PUNCT
admet-794	476	1	[	[	X
admet-794	476	2	21	21	NUM
admet-794	476	3	]	]	SYM
admet-794	476	4	b.c	b.c	PROPN
admet-794	476	5	.	.	PROPN
admet-794	476	6	doak	doak	PROPN
admet-794	476	7	,	,	PUNCT
admet-794	476	8	b.	b.	PROPN
admet-794	476	9	over	over	PROPN
admet-794	476	10	,	,	PUNCT
admet-794	476	11	f.	f.	PROPN
admet-794	476	12	giordanetto	giordanetto	PROPN
admet-794	476	13	,	,	PUNCT
admet-794	476	14	j.	j.	PROPN
admet-794	476	15	kihlberg	kihlberg	PROPN
admet-794	476	16	.	.	PUNCT
admet-794	477	1	oral	oral	ADJ
admet-794	477	2	druggable	druggable	ADJ
admet-794	477	3	space	space	NOUN
admet-794	477	4	beyond	beyond	ADP
admet-794	477	5	the	the	DET
admet-794	477	6	rule	rule	NOUN
admet-794	477	7	of	of	ADP
admet-794	477	8	5	5	NUM
admet-794	477	9	:	:	PUNCT
admet-794	477	10	insights	insight	NOUN
admet-794	477	11	from	from	ADP
admet-794	477	12	drugs	drug	NOUN
admet-794	477	13	and	and	CCONJ
admet-794	477	14	clinical	clinical	ADJ
admet-794	477	15	candidates	candidate	NOUN
admet-794	477	16	.	.	PUNCT
admet-794	478	1	chem	chem	PROPN
admet-794	478	2	.	.	PUNCT
admet-794	478	3	&	&	CCONJ
admet-794	478	4	biol	biol	PROPN
admet-794	478	5	.	.	PUNCT
admet-794	479	1	21	21	NUM
admet-794	479	2	(	(	PUNCT
admet-794	479	3	2014	2014	NUM
admet-794	479	4	)	)	PUNCT
admet-794	479	5	1115	1115	NUM
admet-794	479	6	-	-	SYM
admet-794	479	7	1142	1142	NUM
admet-794	479	8	.	.	PUNCT
admet-794	480	1	[	[	X
admet-794	480	2	22	22	NUM
admet-794	480	3	]	]	X
admet-794	480	4	p.d	p.d	PROPN
admet-794	480	5	.	.	PROPN
admet-794	480	6	leeson	leeson	PROPN
admet-794	480	7	.	.	PUNCT
admet-794	481	1	molecular	molecular	ADJ
admet-794	481	2	inflation	inflation	NOUN
admet-794	481	3	,	,	PUNCT
admet-794	481	4	attrition	attrition	NOUN
admet-794	481	5	&	&	CCONJ
admet-794	481	6	the	the	DET
admet-794	481	7	rule	rule	NOUN
admet-794	481	8	of	of	ADP
admet-794	481	9	five	five	NUM
admet-794	481	10	.	.	PUNCT
admet-794	482	1	adv	adv	PROPN
admet-794	482	2	.	.	PUNCT
admet-794	482	3	drug	drug	PROPN
admet-794	482	4	deliv	deliv	PROPN
admet-794	482	5	.	.	PUNCT
admet-794	483	1	rev	rev	PROPN
admet-794	483	2	.	.	PROPN
admet-794	484	1	101	101	NUM
admet-794	484	2	(	(	PUNCT
admet-794	484	3	2016	2016	NUM
admet-794	484	4	)	)	PUNCT
admet-794	484	5	22	22	NUM
admet-794	484	6	-	-	SYM
admet-794	484	7	33	33	NUM
admet-794	484	8	.	.	PUNCT
admet-794	485	1	[	[	X
admet-794	485	2	23	23	NUM
admet-794	485	3	]	]	PUNCT
admet-794	485	4	p.	p.	PROPN
admet-794	485	5	matsson	matsson	PROPN
admet-794	485	6	,	,	PUNCT
admet-794	485	7	b.c	b.c	PROPN
admet-794	485	8	.	.	PROPN
admet-794	485	9	doak	doak	PROPN
admet-794	485	10	,	,	PUNCT
admet-794	485	11	b.	b.	PROPN
admet-794	485	12	over	over	PROPN
admet-794	485	13	,	,	PUNCT
admet-794	485	14	j.	j.	PROPN
admet-794	485	15	kihlberg	kihlberg	PROPN
admet-794	485	16	.	.	PUNCT
admet-794	486	1	cell	cell	NOUN
admet-794	486	2	permeability	permeability	NOUN
admet-794	486	3	beyond	beyond	ADP
admet-794	486	4	the	the	DET
admet-794	486	5	rule	rule	NOUN
admet-794	486	6	of	of	ADP
admet-794	486	7	5	5	NUM
admet-794	486	8	.	.	PUNCT
admet-794	487	1	adv	adv	PROPN
admet-794	487	2	.	.	PUNCT
admet-794	487	3	drug	drug	PROPN
admet-794	487	4	deliv	deliv	PROPN
admet-794	487	5	.	.	PUNCT
admet-794	488	1	rev	rev	PROPN
admet-794	488	2	.	.	PROPN
admet-794	489	1	101	101	NUM
admet-794	489	2	(	(	PUNCT
admet-794	489	3	2016	2016	NUM
admet-794	489	4	)	)	PUNCT
admet-794	489	5	42	42	NUM
admet-794	489	6	-	-	SYM
admet-794	489	7	61	61	NUM
admet-794	489	8	.	.	PUNCT
admet-794	490	1	[	[	X
admet-794	490	2	24	24	NUM
admet-794	490	3	]	]	SYM
admet-794	490	4	d.a	d.a	PROPN
admet-794	490	5	.	.	PROPN
admet-794	490	6	degoey	degoey	PROPN
admet-794	490	7	,	,	PUNCT
admet-794	490	8	h.-j	h.-j	PROPN
admet-794	490	9	.	.	PUNCT
admet-794	491	1	chen	chen	PROPN
admet-794	491	2	,	,	PUNCT
admet-794	491	3	p.b	p.b	PROPN
admet-794	491	4	.	.	PROPN
admet-794	491	5	cox	cox	PROPN
admet-794	491	6	,	,	PUNCT
admet-794	491	7	m.d	m.d	PROPN
admet-794	491	8	.	.	PROPN
admet-794	491	9	wendt	wendt	PROPN
admet-794	491	10	.	.	PUNCT
admet-794	492	1	beyond	beyond	ADP
admet-794	492	2	the	the	DET
admet-794	492	3	rule	rule	NOUN
admet-794	492	4	of	of	ADP
admet-794	492	5	5	5	NUM
admet-794	492	6	:	:	PUNCT
admet-794	492	7	lessons	lesson	NOUN
admet-794	492	8	learned	learn	VERB
admet-794	492	9	from	from	ADP
admet-794	492	10	abbvie	abbvie	PROPN
admet-794	492	11	’s	’s	PART
admet-794	492	12	drugs	drug	NOUN
admet-794	492	13	and	and	CCONJ
admet-794	492	14	compound	compound	NOUN
admet-794	492	15	collection	collection	NOUN
admet-794	492	16	.	.	PUNCT
admet-794	493	1	j.	j.	PROPN
admet-794	493	2	med	med	PROPN
admet-794	493	3	.	.	PROPN
admet-794	493	4	chem	chem	PROPN
admet-794	493	5	.	.	PUNCT
admet-794	494	1	61	61	NUM
admet-794	494	2	(	(	PUNCT
admet-794	494	3	2018	2018	NUM
admet-794	494	4	)	)	PUNCT
admet-794	494	5	2636	2636	NUM
admet-794	494	6	-	-	SYM
admet-794	494	7	2651	2651	NUM
admet-794	494	8	.	.	PUNCT
admet-794	495	1	[	[	X
admet-794	495	2	25	25	NUM
admet-794	495	3	]	]	PUNCT
admet-794	495	4	c.a.s	c.a.s	PROPN
admet-794	495	5	.	.	PROPN
admet-794	495	6	bergström	bergström	PROPN
admet-794	496	1	,	,	PUNCT
admet-794	496	2	w.n	w.n	PROPN
admet-794	496	3	.	.	PROPN
admet-794	496	4	charman	charman	PROPN
admet-794	496	5	,	,	PUNCT
admet-794	496	6	c.j.h	c.j.h	ADJ
admet-794	496	7	.	.	PUNCT
admet-794	496	8	porter	porter	NOUN
admet-794	496	9	.	.	PUNCT
admet-794	497	1	computational	computational	ADJ
admet-794	497	2	prediction	prediction	NOUN
admet-794	497	3	of	of	ADP
admet-794	497	4	formulation	formulation	NOUN
admet-794	497	5	strategies	strategy	NOUN
admet-794	497	6	for	for	ADP
admet-794	497	7	beyond	beyond	ADP
admet-794	497	8	-	-	PUNCT
admet-794	497	9	rule	rule	NOUN
admet-794	497	10	-	-	PUNCT
admet-794	497	11	of-5	of-5	NOUN
admet-794	497	12	compounds	compound	NOUN
admet-794	497	13	.	.	PUNCT
admet-794	498	1	adv	adv	PROPN
admet-794	498	2	.	.	PUNCT
admet-794	498	3	drug	drug	PROPN
admet-794	498	4	deliv	deliv	PROPN
admet-794	498	5	.	.	PUNCT
admet-794	499	1	rev	rev	PROPN
admet-794	499	2	.	.	PROPN
admet-794	500	1	101	101	NUM
admet-794	500	2	(	(	PUNCT
admet-794	500	3	2016	2016	NUM
admet-794	500	4	)	)	PUNCT
admet-794	500	5	6	6	NUM
admet-794	500	6	-	-	SYM
admet-794	500	7	21	21	NUM
admet-794	500	8	.	.	PUNCT
admet-794	501	1	[	[	X
admet-794	501	2	26	26	NUM
admet-794	501	3	]	]	X
admet-794	501	4	s.d	s.d	PROPN
admet-794	501	5	.	.	PROPN
admet-794	501	6	krämer	krämer	PROPN
admet-794	501	7	,	,	PUNCT
admet-794	501	8	h.e	h.e	PROPN
admet-794	501	9	.	.	PROPN
admet-794	501	10	aschmann	aschmann	PROPN
admet-794	501	11	,	,	PUNCT
admet-794	501	12	m.	m.	NOUN
admet-794	501	13	hatibovic	hatibovic	PROPN
admet-794	501	14	,	,	PUNCT
admet-794	501	15	k.f	k.f	PROPN
admet-794	501	16	.	.	PROPN
admet-794	501	17	hermann	hermann	PROPN
admet-794	501	18	,	,	PUNCT
admet-794	501	19	c.s	c.s	PROPN
admet-794	501	20	.	.	PROPN
admet-794	501	21	neuhaus	neuhaus	PROPN
admet-794	501	22	,	,	PUNCT
admet-794	501	23	c.	c.	PROPN
admet-794	501	24	brunner	brunner	PROPN
admet-794	501	25	,	,	PUNCT
admet-794	501	26	s.	s.	PROPN
admet-794	501	27	belli	belli	PROPN
admet-794	501	28	.	.	PUNCT
admet-794	502	1	when	when	SCONJ
admet-794	502	2	barriers	barrier	NOUN
admet-794	502	3	ignore	ignore	VERB
admet-794	502	4	the	the	DET
admet-794	502	5	“	"	PUNCT
admet-794	502	6	rule	rule	NOUN
admet-794	502	7	-	-	PUNCT
admet-794	502	8	of	of	ADP
admet-794	502	9	-	-	PUNCT
admet-794	502	10	five	five	NUM
admet-794	502	11	”	"	PUNCT
admet-794	502	12	.	.	PUNCT
admet-794	503	1	adv	adv	PROPN
admet-794	503	2	.	.	PUNCT
admet-794	503	3	drug	drug	PROPN
admet-794	503	4	del	del	PROPN
admet-794	503	5	.	.	PROPN
admet-794	503	6	rev	rev	PROPN
admet-794	503	7	.	.	PROPN
admet-794	504	1	101	101	NUM
admet-794	504	2	(	(	PUNCT
admet-794	504	3	2016	2016	NUM
admet-794	504	4	)	)	PUNCT
admet-794	504	5	62	62	NUM
admet-794	504	6	-	-	SYM
admet-794	504	7	74	74	NUM
admet-794	504	8	.	.	PUNCT
admet-794	505	1	[	[	X
admet-794	505	2	27	27	NUM
admet-794	505	3	]	]	X
admet-794	505	4	g.	g.	NOUN
admet-794	505	5	ermondi	ermondi	PROPN
admet-794	505	6	,	,	PUNCT
admet-794	505	7	m.	m.	NOUN
admet-794	505	8	vallaro	vallaro	NOUN
admet-794	505	9	,	,	PUNCT
admet-794	505	10	g.	g.	PROPN
admet-794	505	11	goetz	goetz	PROPN
admet-794	505	12	,	,	PUNCT
admet-794	505	13	m.	m.	NOUN
admet-794	505	14	shalaeva	shalaeva	PROPN
admet-794	505	15	,	,	PUNCT
admet-794	505	16	g.	g.	PROPN
admet-794	505	17	caron	caron	PROPN
admet-794	505	18	.	.	PUNCT
admet-794	506	1	experimental	experimental	ADJ
admet-794	506	2	lipophilicity	lipophilicity	NOUN
admet-794	506	3	for	for	ADP
admet-794	506	4	beyond	beyond	ADP
admet-794	506	5	rule	rule	NOUN
admet-794	506	6	of	of	ADP
admet-794	506	7	5	5	NUM
admet-794	506	8	compounds	compound	NOUN
admet-794	506	9	.	.	PUNCT
admet-794	507	1	future	future	ADJ
admet-794	507	2	drug	drug	NOUN
admet-794	507	3	.	.	PUNCT
admet-794	508	1	discov	discov	NOUN
admet-794	508	2	.	.	PUNCT
admet-794	509	1	(	(	PUNCT
admet-794	509	2	2019	2019	NUM
admet-794	509	3	)	)	PUNCT
admet-794	509	4	published	publish	VERB
admet-794	509	5	online	online	ADV
admet-794	509	6	:	:	PUNCT
admet-794	509	7	14	14	NUM
admet-794	509	8	mar	mar	PROPN
admet-794	509	9	2019	2019	NUM
admet-794	509	10	.	.	PUNCT
admet-794	510	1	doi	doi	NOUN
admet-794	510	2	:	:	PUNCT
admet-794	510	3	https://doi.org/10.4155/fdd-2019-0002	https://doi.org/10.4155/fdd-2019-0002	NOUN
admet-794	510	4	.	.	PUNCT
admet-794	511	1	[	[	X
admet-794	511	2	28	28	NUM
admet-794	511	3	]	]	X
admet-794	511	4	g.	g.	NOUN
admet-794	511	5	ermondi	ermondi	PROPN
admet-794	511	6	,	,	PUNCT
admet-794	511	7	m.	m.	NOUN
admet-794	511	8	vallaro	vallaro	NOUN
admet-794	511	9	,	,	PUNCT
admet-794	511	10	g.	g.	PROPN
admet-794	511	11	goetz	goetz	PROPN
admet-794	511	12	,	,	PUNCT
admet-794	511	13	m.	m.	NOUN
admet-794	511	14	shalaeva	shalaeva	PROPN
admet-794	511	15	,	,	PUNCT
admet-794	511	16	g.	g.	PROPN
admet-794	511	17	caron	caron	PROPN
admet-794	511	18	.	.	PUNCT
admet-794	512	1	updating	update	VERB
admet-794	512	2	the	the	DET
admet-794	512	3	portfolio	portfolio	NOUN
admet-794	512	4	of	of	ADP
admet-794	512	5	physicochemical	physicochemical	ADJ
admet-794	512	6	descriptors	descriptor	NOUN
admet-794	512	7	related	relate	VERB
admet-794	512	8	to	to	ADP
admet-794	512	9	permeability	permeability	NOUN
admet-794	512	10	in	in	ADP
admet-794	512	11	the	the	PRON
admet-794	512	12	beyond	beyond	ADP
admet-794	512	13	the	the	DET
admet-794	512	14	rule	rule	NOUN
admet-794	512	15	of	of	ADP
admet-794	512	16	5	5	NUM
admet-794	512	17	chemical	chemical	NOUN
admet-794	512	18	space	space	NOUN
admet-794	512	19	.	.	PUNCT
admet-794	513	1	eur	eur	PROPN
admet-794	513	2	.	.	PUNCT
admet-794	514	1	j.	j.	PROPN
admet-794	514	2	pharm	pharm	PROPN
admet-794	514	3	.	.	PUNCT
admet-794	515	1	sci	sci	PROPN
admet-794	515	2	.	.	PROPN
admet-794	516	1	146	146	NUM
admet-794	516	2	(	(	PUNCT
admet-794	516	3	2020	2020	NUM
admet-794	516	4	)	)	PUNCT
admet-794	516	5	105274	105274	NUM
admet-794	516	6	.	.	PUNCT
admet-794	517	1	doi	doi	NOUN
admet-794	517	2	:	:	PUNCT
admet-794	517	3	https://doi.org/10.1016/j.ejps.2020.105274	https://doi.org/10.1016/j.ejps.2020.105274	NOUN
admet-794	517	4	.	.	PUNCT
admet-794	518	1	[	[	X
admet-794	518	2	29	29	NUM
admet-794	518	3	]	]	X
admet-794	518	4	g.	g.	PROPN
admet-794	518	5	caron	caron	PROPN
admet-794	518	6	,	,	PUNCT
admet-794	518	7	j.	j.	PROPN
admet-794	518	8	kihlberg	kihlberg	PROPN
admet-794	518	9	,	,	PUNCT
admet-794	518	10	g.	g.	PROPN
admet-794	518	11	ermondi	ermondi	PROPN
admet-794	518	12	.	.	PUNCT
admet-794	519	1	intramolecular	intramolecular	ADJ
admet-794	519	2	hydrogen	hydrogen	NOUN
admet-794	519	3	bonding	bonding	NOUN
admet-794	519	4	:	:	PUNCT
admet-794	519	5	an	an	DET
admet-794	519	6	opportunity	opportunity	NOUN
admet-794	519	7	for	for	ADP
admet-794	519	8	improved	improved	ADJ
admet-794	519	9	design	design	NOUN
admet-794	519	10	in	in	ADP
admet-794	519	11	medicinal	medicinal	ADJ
admet-794	519	12	chemistry	chemistry	NOUN
admet-794	519	13	.	.	PUNCT
admet-794	520	1	med	med	PROPN
admet-794	520	2	.	.	PUNCT
admet-794	521	1	res	re	NOUN
admet-794	521	2	.	.	PUNCT
admet-794	521	3	rev	rev	PROPN
admet-794	521	4	.	.	PROPN
admet-794	521	5	39	39	NUM
admet-794	521	6	(	(	PUNCT
admet-794	521	7	2019	2019	NUM
admet-794	521	8	)	)	PUNCT
admet-794	521	9	1707	1707	NUM
admet-794	521	10	-	-	SYM
admet-794	521	11	1729	1729	NUM
admet-794	521	12	.	.	PUNCT
admet-794	522	1	doi	doi	NOUN
admet-794	522	2	:	:	PUNCT
admet-794	522	3	https://dx.doi.org/10.1002/med.21562	https://dx.doi.org/10.1002/med.21562	ADV
admet-794	522	4	.	.	PUNCT
admet-794	523	1	[	[	X
admet-794	523	2	30	30	NUM
admet-794	523	3	]	]	X
admet-794	523	4	g.	g.	PROPN
admet-794	523	5	caron	caron	PROPN
admet-794	523	6	,	,	PUNCT
admet-794	523	7	v.	v.	ADP
admet-794	523	8	digiesi	digiesi	PROPN
admet-794	523	9	,	,	PUNCT
admet-794	523	10	s.	s.	PROPN
admet-794	523	11	solaro	solaro	NOUN
admet-794	523	12	,	,	PUNCT
admet-794	523	13	g.	g.	PROPN
admet-794	523	14	ermondi	ermondi	PROPN
admet-794	523	15	.	.	PUNCT
admet-794	524	1	flexibility	flexibility	NOUN
admet-794	524	2	in	in	ADP
admet-794	524	3	early	early	ADJ
admet-794	524	4	drug	drug	NOUN
admet-794	524	5	discovery	discovery	NOUN
admet-794	524	6	:	:	PUNCT
admet-794	524	7	focus	focus	VERB
admet-794	524	8	on	on	ADP
admet-794	524	9	the	the	DET
admet-794	524	10	beyondrule	beyondrule	NOUN
admet-794	524	11	-	-	PUNCT
admet-794	524	12	of-5	of-5	NOUN
admet-794	524	13	chemical	chemical	NOUN
admet-794	524	14	space	space	NOUN
admet-794	524	15	.	.	PUNCT
admet-794	525	1	drug	drug	NOUN
admet-794	525	2	discov	discov	NOUN
admet-794	525	3	.	.	PUNCT
admet-794	526	1	today	today	NOUN
admet-794	526	2	(	(	PUNCT
admet-794	526	3	2020	2020	NUM
admet-794	526	4	)	)	PUNCT
admet-794	526	5	,	,	PUNCT
admet-794	526	6	in	in	ADP
admet-794	526	7	press	press	NOUN
admet-794	526	8	.	.	PUNCT
admet-794	527	1	doi	doi	NOUN
admet-794	527	2	:	:	PUNCT
admet-794	527	3	https://doi.org/10.1016/j.drudis.2020.01.012	https://doi.org/10.1016/j.drudis.2020.01.012	NOUN
admet-794	527	4	.	.	PUNCT
admet-794	528	1	[	[	X
admet-794	528	2	31	31	NUM
admet-794	528	3	]	]	X
admet-794	528	4	p.a	p.a	PROPN
admet-794	528	5	.	.	PROPN
admet-794	528	6	carrupt	carrupt	PROPN
admet-794	528	7	,	,	PUNCT
admet-794	528	8	b.	b.	PROPN
admet-794	528	9	testa	testa	PROPN
admet-794	528	10	,	,	PUNCT
admet-794	528	11	a.	a.	NOUN
admet-794	528	12	bechalany	bechalany	PROPN
admet-794	528	13	,	,	PUNCT
admet-794	528	14	n.	n.	PROPN
admet-794	528	15	el	el	PROPN
admet-794	528	16	tayar	tayar	PROPN
admet-794	528	17	,	,	PUNCT
admet-794	528	18	p.	p.	PROPN
admet-794	528	19	descas	descas	PROPN
admet-794	528	20	,	,	PUNCT
admet-794	528	21	d.	d.	PROPN
admet-794	528	22	perrissoud	perrissoud	PROPN
admet-794	528	23	.	.	PUNCT
admet-794	528	24	morphine	morphine	PROPN
admet-794	528	25	6	6	NUM
admet-794	528	26	-	-	PUNCT
admet-794	528	27	glucuronide	glucuronide	NOUN
admet-794	528	28	and	and	CCONJ
admet-794	528	29	morphine	morphine	NOUN
admet-794	528	30	3	3	NUM
admet-794	528	31	-	-	PUNCT
admet-794	528	32	glucuronide	glucuronide	NOUN
admet-794	528	33	as	as	ADP
admet-794	528	34	molecular	molecular	ADJ
admet-794	528	35	chameleons	chameleon	NOUN
admet-794	528	36	with	with	ADP
admet-794	528	37	unexpected	unexpected	ADJ
admet-794	528	38	lipophilicity	lipophilicity	NOUN
admet-794	528	39	.	.	PUNCT
admet-794	529	1	j	j	PROPN
admet-794	529	2	med	med	PROPN
admet-794	529	3	chem	chem	NOUN
admet-794	529	4	.	.	PUNCT
admet-794	530	1	34	34	NUM
admet-794	530	2	(	(	PUNCT
admet-794	530	3	1991	1991	NUM
admet-794	530	4	)	)	PUNCT
admet-794	530	5	1272	1272	NUM
admet-794	530	6	-	-	SYM
admet-794	530	7	1275	1275	NUM
admet-794	530	8	.	.	PUNCT
admet-794	531	1	http://dx.doi.org/10.5599/admet.766	http://dx.doi.org/10.5599/admet.766	PROPN
admet-794	531	2	http://dx.doi.org/10.5599/admet.766	http://dx.doi.org/10.5599/admet.766	PROPN
admet-794	531	3	https://doi.org/10.4155/fdd-2019-0002	https://doi.org/10.4155/fdd-2019-0002	PROPN
admet-794	531	4	https://doi.org/10.4155/fdd-2019-0002	https://doi.org/10.4155/fdd-2019-0002	PROPN
admet-794	531	5	https://doi.org/10.1016/j.ejps.2020.105274	https://doi.org/10.1016/j.ejps.2020.105274	PROPN
admet-794	531	6	https://dx.doi.org/10.1002/med.21562	https://dx.doi.org/10.1002/med.21562	ADV
admet-794	531	7	https://doi.org/10.1016/j.drudis.2020.01.012	https://doi.org/10.1016/j.drudis.2020.01.012	PROPN
admet-794	531	8	https://doi.org/10.1016/j.drudis.2020.01.012	https://doi.org/10.1016/j.drudis.2020.01.012	PROPN
admet-794	531	9	admet	admet	PROPN
admet-794	531	10	&	&	CCONJ
admet-794	531	11	dmpk	dmpk	PROPN
admet-794	531	12	8(3	8(3	NUM
admet-794	531	13	)	)	PUNCT
admet-794	531	14	(	(	PUNCT
admet-794	531	15	2020	2020	NUM
admet-794	531	16	)	)	PUNCT
admet-794	531	17	180	180	NUM
admet-794	531	18	-	-	SYM
admet-794	531	19	206	206	NUM
admet-794	531	20	can	can	AUX
admet-794	531	21	small	small	ADJ
admet-794	531	22	drugs	drug	NOUN
admet-794	531	23	predict	predict	VERB
admet-794	531	24	log	log	NOUN
admet-794	531	25	s0	s0	PROPN
admet-794	531	26	of	of	ADP
admet-794	531	27	‘	'	PUNCT
admet-794	531	28	beyond	beyond	ADP
admet-794	531	29	rule	rule	NOUN
admet-794	531	30	of	of	ADP
admet-794	531	31	5	5	NUM
admet-794	531	32	’	'	PUNCT
admet-794	531	33	big	big	ADJ
admet-794	531	34	drugs	drug	NOUN
admet-794	531	35	?	?	PUNCT
admet-794	532	1	doi	doi	NOUN
admet-794	532	2	:	:	PUNCT
admet-794	532	3	http://dx.doi.org/10.5599/admet.794	http://dx.doi.org/10.5599/admet.794	NOUN
admet-794	532	4	199	199	NUM
admet-794	532	5	[	[	X
admet-794	532	6	32	32	NUM
admet-794	532	7	]	]	PUNCT
admet-794	532	8	f.	f.	PROPN
admet-794	532	9	irmann	irmann	PROPN
admet-794	532	10	.	.	PUNCT
admet-794	533	1	a	a	DET
admet-794	533	2	simple	simple	ADJ
admet-794	533	3	correlation	correlation	NOUN
admet-794	533	4	between	between	ADP
admet-794	533	5	water	water	NOUN
admet-794	533	6	solubility	solubility	NOUN
admet-794	533	7	and	and	CCONJ
admet-794	533	8	the	the	DET
admet-794	533	9	structure	structure	NOUN
admet-794	533	10	of	of	ADP
admet-794	533	11	hydrocarbons	hydrocarbon	NOUN
admet-794	533	12	and	and	CCONJ
admet-794	533	13	halogenated	halogenated	ADJ
admet-794	533	14	hydrocarbons	hydrocarbon	NOUN
admet-794	533	15	.	.	PUNCT
admet-794	534	1	chem	chem	NOUN
admet-794	534	2	.	.	PUNCT
admet-794	535	1	ing	ing	ADJ
admet-794	535	2	.	.	PUNCT
admet-794	536	1	tech	tech	NOUN
admet-794	536	2	.	.	PUNCT
admet-794	537	1	37	37	NUM
admet-794	537	2	(	(	PUNCT
admet-794	537	3	1965	1965	NUM
admet-794	537	4	)	)	PUNCT
admet-794	537	5	789	789	NUM
admet-794	537	6	-	-	SYM
admet-794	537	7	798	798	NUM
admet-794	537	8	.	.	PUNCT
admet-794	538	1	[	[	X
admet-794	538	2	33	33	NUM
admet-794	538	3	]	]	X
admet-794	538	4	c.	c.	PROPN
admet-794	538	5	hansch	hansch	PROPN
admet-794	538	6	,	,	PUNCT
admet-794	538	7	j.e	j.e	PROPN
admet-794	538	8	.	.	PROPN
admet-794	538	9	quinlan	quinlan	PROPN
admet-794	538	10	,	,	PUNCT
admet-794	538	11	g.l	g.l	PROPN
admet-794	538	12	.	.	PROPN
admet-794	538	13	lawrence	lawrence	PROPN
admet-794	538	14	.	.	PUNCT
admet-794	538	15	linear	linear	PROPN
admet-794	538	16	free	free	ADJ
admet-794	538	17	-	-	PUNCT
admet-794	538	18	energy	energy	NOUN
admet-794	538	19	relationship	relationship	NOUN
admet-794	538	20	between	between	ADP
admet-794	538	21	partition	partition	NOUN
admet-794	538	22	coefficients	coefficient	NOUN
admet-794	538	23	and	and	CCONJ
admet-794	538	24	the	the	DET
admet-794	538	25	aqueous	aqueous	ADJ
admet-794	538	26	solubility	solubility	NOUN
admet-794	538	27	of	of	ADP
admet-794	538	28	organic	organic	ADJ
admet-794	538	29	liquids	liquid	NOUN
admet-794	538	30	.	.	PUNCT
admet-794	539	1	j.	j.	PROPN
admet-794	539	2	org	org	PROPN
admet-794	539	3	.	.	PUNCT
admet-794	540	1	chem	chem	PROPN
admet-794	540	2	.	.	PUNCT
admet-794	541	1	33	33	NUM
admet-794	541	2	(	(	PUNCT
admet-794	541	3	1968	1968	NUM
admet-794	541	4	)	)	PUNCT
admet-794	541	5	347	347	NUM
admet-794	541	6	-	-	SYM
admet-794	541	7	350	350	NUM
admet-794	541	8	.	.	PUNCT
admet-794	542	1	[	[	X
admet-794	542	2	34	34	NUM
admet-794	542	3	]	]	X
admet-794	542	4	d.	d.	PROPN
admet-794	542	5	alantari	alantari	PROPN
admet-794	542	6	,	,	PUNCT
admet-794	542	7	s.	s.	PROPN
admet-794	542	8	yalkowsky	yalkowsky	PROPN
admet-794	542	9	.	.	PUNCT
admet-794	543	1	comments	comment	NOUN
admet-794	543	2	on	on	ADP
admet-794	543	3	prediction	prediction	NOUN
admet-794	543	4	of	of	ADP
admet-794	543	5	the	the	DET
admet-794	543	6	aqueous	aqueous	ADJ
admet-794	543	7	solubility	solubility	NOUN
admet-794	543	8	using	use	VERB
admet-794	543	9	the	the	DET
admet-794	543	10	general	general	ADJ
admet-794	543	11	solubility	solubility	NOUN
admet-794	543	12	equation	equation	NOUN
admet-794	543	13	(	(	PUNCT
admet-794	543	14	gse	gse	PROPN
admet-794	543	15	)	)	PUNCT
admet-794	543	16	versus	versus	ADP
admet-794	543	17	a	a	DET
admet-794	543	18	genetic	genetic	ADJ
admet-794	543	19	algorithm	algorithm	NOUN
admet-794	543	20	and	and	CCONJ
admet-794	543	21	a	a	DET
admet-794	543	22	support	support	NOUN
admet-794	543	23	vector	vector	NOUN
admet-794	543	24	machine	machine	NOUN
admet-794	543	25	model	model	NOUN
admet-794	543	26	.	.	PUNCT
admet-794	544	1	j.	j.	PROPN
admet-794	544	2	pharm	pharm	PROPN
admet-794	544	3	.	.	PUNCT
admet-794	545	1	dev	dev	PROPN
admet-794	545	2	.	.	PUNCT
admet-794	545	3	technol	technol	PROPN
admet-794	545	4	.	.	PUNCT
admet-794	546	1	23	23	NUM
admet-794	546	2	(	(	PUNCT
admet-794	546	3	2018	2018	NUM
admet-794	546	4	)	)	PUNCT
admet-794	547	1	739	739	NUM
admet-794	547	2	-	-	SYM
admet-794	547	3	740	740	NUM
admet-794	547	4	.	.	PUNCT
admet-794	548	1	[	[	X
admet-794	548	2	35	35	NUM
admet-794	548	3	]	]	X
admet-794	548	4	y.	y.	PROPN
admet-794	548	5	ran	run	VERB
admet-794	548	6	,	,	PUNCT
admet-794	548	7	s.h	s.h	PROPN
admet-794	548	8	.	.	NOUN
admet-794	548	9	yalkowsky	yalkowsky	ADJ
admet-794	548	10	.	.	PUNCT
admet-794	549	1	prediction	prediction	NOUN
admet-794	549	2	of	of	ADP
admet-794	549	3	drug	drug	NOUN
admet-794	549	4	solubility	solubility	NOUN
admet-794	549	5	by	by	ADP
admet-794	549	6	the	the	DET
admet-794	549	7	general	general	ADJ
admet-794	549	8	solubility	solubility	NOUN
admet-794	549	9	equation	equation	NOUN
admet-794	549	10	.	.	PUNCT
admet-794	550	1	j.	j.	PROPN
admet-794	550	2	chem	chem	PROPN
admet-794	550	3	.	.	PUNCT
admet-794	551	1	inf	inf	PROPN
admet-794	551	2	.	.	PUNCT
admet-794	551	3	comput	comput	PROPN
admet-794	551	4	.	.	PUNCT
admet-794	552	1	sci	sci	PROPN
admet-794	552	2	.	.	PROPN
admet-794	553	1	41	41	NUM
admet-794	553	2	(	(	PUNCT
admet-794	553	3	2001	2001	NUM
admet-794	553	4	)	)	PUNCT
admet-794	553	5	354	354	NUM
admet-794	553	6	-	-	SYM
admet-794	553	7	357	357	NUM
admet-794	553	8	.	.	PUNCT
admet-794	554	1	[	[	X
admet-794	554	2	36	36	NUM
admet-794	554	3	]	]	X
admet-794	554	4	n.	n.	PROPN
admet-794	554	5	jain	jain	PROPN
admet-794	554	6	,	,	PUNCT
admet-794	554	7	s.h	s.h	PROPN
admet-794	554	8	.	.	NOUN
admet-794	554	9	yalkowsky	yalkowsky	ADJ
admet-794	554	10	.	.	PUNCT
admet-794	555	1	estimation	estimation	NOUN
admet-794	555	2	of	of	ADP
admet-794	555	3	the	the	DET
admet-794	555	4	aqueous	aqueous	ADJ
admet-794	555	5	solubility	solubility	NOUN
admet-794	555	6	i	i	PRON
admet-794	555	7	:	:	PUNCT
admet-794	555	8	application	application	NOUN
admet-794	555	9	to	to	ADP
admet-794	555	10	organic	organic	ADJ
admet-794	555	11	nonelectrolytes	nonelectrolyte	NOUN
admet-794	555	12	.	.	PUNCT
admet-794	556	1	j.	j.	PROPN
admet-794	556	2	pharm	pharm	PROPN
admet-794	556	3	.	.	PUNCT
admet-794	557	1	sci	sci	PROPN
admet-794	557	2	.	.	PROPN
admet-794	558	1	90	90	NUM
admet-794	558	2	(	(	PUNCT
admet-794	558	3	2001	2001	NUM
admet-794	558	4	)	)	PUNCT
admet-794	558	5	234	234	NUM
admet-794	558	6	-	-	SYM
admet-794	558	7	252	252	NUM
admet-794	558	8	.	.	PUNCT
admet-794	559	1	[	[	X
admet-794	559	2	37	37	NUM
admet-794	559	3	]	]	X
admet-794	559	4	y.	y.	PROPN
admet-794	559	5	ran	run	VERB
admet-794	559	6	,	,	PUNCT
admet-794	559	7	n.	n.	PROPN
admet-794	559	8	jain	jain	PROPN
admet-794	559	9	,	,	PUNCT
admet-794	559	10	s.h	s.h	PROPN
admet-794	559	11	.	.	NOUN
admet-794	559	12	yalkowsky	yalkowsky	ADJ
admet-794	559	13	.	.	PUNCT
admet-794	560	1	prediction	prediction	NOUN
admet-794	560	2	of	of	ADP
admet-794	560	3	aqueous	aqueous	ADJ
admet-794	560	4	solubility	solubility	NOUN
admet-794	560	5	of	of	ADP
admet-794	560	6	organic	organic	ADJ
admet-794	560	7	compounds	compound	NOUN
admet-794	560	8	by	by	ADP
admet-794	560	9	the	the	DET
admet-794	560	10	general	general	ADJ
admet-794	560	11	solubility	solubility	NOUN
admet-794	560	12	equation	equation	NOUN
admet-794	560	13	(	(	PUNCT
admet-794	560	14	gse	gse	PROPN
admet-794	560	15	)	)	PUNCT
admet-794	560	16	.	.	PUNCT
admet-794	561	1	j.	j.	PROPN
admet-794	561	2	chem	chem	PROPN
admet-794	561	3	.	.	PUNCT
admet-794	562	1	inf	inf	PROPN
admet-794	562	2	.	.	PUNCT
admet-794	562	3	comput	comput	PROPN
admet-794	562	4	.	.	PUNCT
admet-794	563	1	sci	sci	PROPN
admet-794	563	2	.	.	PROPN
admet-794	564	1	41	41	NUM
admet-794	564	2	(	(	PUNCT
admet-794	564	3	2001	2001	NUM
admet-794	564	4	)	)	PUNCT
admet-794	564	5	1208	1208	NUM
admet-794	564	6	-	-	SYM
admet-794	564	7	1217	1217	NUM
admet-794	564	8	.	.	PUNCT
admet-794	565	1	[	[	X
admet-794	565	2	38	38	NUM
admet-794	565	3	]	]	X
admet-794	565	4	n.	n.	PROPN
admet-794	565	5	jain	jain	PROPN
admet-794	565	6	,	,	PUNCT
admet-794	565	7	g.	g.	PROPN
admet-794	565	8	yang	yang	PROPN
admet-794	565	9	,	,	PUNCT
admet-794	565	10	s.g	s.g	PROPN
admet-794	565	11	.	.	PROPN
admet-794	565	12	machatha	machatha	PROPN
admet-794	565	13	,	,	PUNCT
admet-794	565	14	s.h	s.h	PROPN
admet-794	565	15	.	.	NOUN
admet-794	565	16	yalkowsky	yalkowsky	ADJ
admet-794	565	17	.	.	PUNCT
admet-794	566	1	estimation	estimation	NOUN
admet-794	566	2	of	of	ADP
admet-794	566	3	the	the	DET
admet-794	566	4	aqueous	aqueous	ADJ
admet-794	566	5	solubility	solubility	NOUN
admet-794	566	6	of	of	ADP
admet-794	566	7	weak	weak	ADJ
admet-794	566	8	electrolytes	electrolyte	NOUN
admet-794	566	9	.	.	PUNCT
admet-794	567	1	int	int	NOUN
admet-794	567	2	.	.	PUNCT
admet-794	568	1	j.	j.	PROPN
admet-794	568	2	pharm	pharm	PROPN
admet-794	568	3	.	.	PUNCT
admet-794	569	1	319	319	NUM
admet-794	569	2	(	(	PUNCT
admet-794	569	3	2006	2006	NUM
admet-794	569	4	)	)	PUNCT
admet-794	569	5	169	169	NUM
admet-794	569	6	-	-	SYM
admet-794	569	7	171	171	NUM
admet-794	569	8	.	.	PUNCT
admet-794	570	1	[	[	X
admet-794	570	2	39	39	NUM
admet-794	570	3	]	]	X
admet-794	570	4	j.c	j.c	PROPN
admet-794	570	5	.	.	PROPN
admet-794	570	6	dearden	dearden	PROPN
admet-794	570	7	.	.	PUNCT
admet-794	571	1	partitioning	partitioning	NOUN
admet-794	571	2	and	and	CCONJ
admet-794	571	3	lipophilicity	lipophilicity	NOUN
admet-794	571	4	in	in	ADP
admet-794	571	5	quantitative	quantitative	ADJ
admet-794	571	6	structure	structure	NOUN
admet-794	571	7	-	-	PUNCT
admet-794	571	8	activity	activity	NOUN
admet-794	571	9	relationships	relationship	NOUN
admet-794	571	10	.	.	PUNCT
admet-794	572	1	environ	environ	PROPN
admet-794	572	2	.	.	PUNCT
admet-794	572	3	health	health	NOUN
admet-794	572	4	persp	persp	PROPN
admet-794	572	5	.	.	PUNCT
admet-794	573	1	61	61	NUM
admet-794	573	2	(	(	PUNCT
admet-794	573	3	1985	1985	NUM
admet-794	573	4	)	)	PUNCT
admet-794	573	5	203	203	NUM
admet-794	573	6	-	-	SYM
admet-794	573	7	228	228	NUM
admet-794	573	8	.	.	PUNCT
admet-794	574	1	[	[	X
admet-794	574	2	40	40	NUM
admet-794	574	3	]	]	X
admet-794	574	4	a.s.i.d	a.s.i.d	PROPN
admet-794	574	5	.	.	PROPN
admet-794	574	6	lang	lang	PROPN
admet-794	574	7	,	,	PUNCT
admet-794	574	8	j.-c	j.-c	PROPN
admet-794	574	9	.	.	PUNCT
admet-794	575	1	bradley	bradley	PROPN
admet-794	575	2	.	.	PUNCT
admet-794	576	1	ons	ons	PROPN
admet-794	576	2	melting	melting	NOUN
admet-794	576	3	point	point	NOUN
admet-794	576	4	model	model	NOUN
admet-794	576	5	010	010	NUM
admet-794	576	6	.	.	PUNCT
admet-794	577	1	qdb	qdb	PROPN
admet-794	577	2	archive	archive	NOUN
admet-794	577	3	,	,	PUNCT
admet-794	577	4	doi	doi	NOUN
admet-794	577	5	:	:	PUNCT
admet-794	577	6	10.15152	10.15152	NUM
admet-794	577	7	/	/	SYM
admet-794	577	8	qdb.104	qdb.104	PROPN
admet-794	577	9	.	.	PUNCT
admet-794	578	1	qsardb	qsardb	PROPN
admet-794	578	2	content	content	PROPN
admet-794	578	3	.	.	PUNCT
admet-794	579	1	property	property	NOUN
admet-794	579	2	mpc	mpc	PROPN
admet-794	579	3	.	.	PROPN
admet-794	579	4	steps	step	NOUN
admet-794	579	5	:	:	PUNCT
admet-794	579	6	calculate	calculate	NOUN
admet-794	579	7	descriptors	descriptor	NOUN
admet-794	579	8	.	.	PUNCT
admet-794	580	1	smiles	smile	NOUN
admet-794	580	2	.	.	PUNCT
admet-794	581	1	calculate	calculate	NOUN
admet-794	581	2	.	.	PUNCT
admet-794	582	1	scroll	scroll	NOUN
admet-794	582	2	down	down	ADP
admet-794	582	3	to	to	ADP
admet-794	582	4	mpc	mpc	PROPN
admet-794	582	5	.	.	PUNCT
admet-794	583	1	[	[	X
admet-794	583	2	41	41	NUM
admet-794	583	3	]	]	X
admet-794	583	4	m.h	m.h	PROPN
admet-794	583	5	.	.	PROPN
admet-794	583	6	abraham	abraham	PROPN
admet-794	583	7	.	.	PUNCT
admet-794	584	1	scales	scale	NOUN
admet-794	584	2	of	of	ADP
admet-794	584	3	hydrogen	hydrogen	NOUN
admet-794	584	4	bonding	bond	VERB
admet-794	584	5	their	their	PRON
admet-794	584	6	construction	construction	NOUN
admet-794	584	7	and	and	CCONJ
admet-794	584	8	application	application	NOUN
admet-794	584	9	to	to	ADP
admet-794	584	10	physicochemical	physicochemical	ADJ
admet-794	584	11	and	and	CCONJ
admet-794	584	12	biochemical	biochemical	ADJ
admet-794	584	13	processes	process	NOUN
admet-794	584	14	.	.	PUNCT
admet-794	585	1	chem	chem	NOUN
admet-794	585	2	.	.	PUNCT
admet-794	586	1	soc	soc	PROPN
admet-794	586	2	.	.	PUNCT
admet-794	587	1	revs	revs	VERB
admet-794	587	2	.	.	PUNCT
admet-794	588	1	22	22	NUM
admet-794	588	2	(	(	PUNCT
admet-794	588	3	1993	1993	NUM
admet-794	588	4	)	)	PUNCT
admet-794	588	5	73	73	NUM
admet-794	588	6	-	-	SYM
admet-794	588	7	83	83	NUM
admet-794	588	8	.	.	PUNCT
admet-794	589	1	[	[	X
admet-794	589	2	42	42	NUM
admet-794	589	3	]	]	X
admet-794	589	4	j.a	j.a	PROPN
admet-794	589	5	.	.	PROPN
admet-794	589	6	platts	platts	PROPN
admet-794	589	7	,	,	PUNCT
admet-794	589	8	d.	d.	PROPN
admet-794	589	9	butina	butina	PROPN
admet-794	589	10	,	,	PUNCT
admet-794	589	11	m.h	m.h	PROPN
admet-794	589	12	.	.	PROPN
admet-794	589	13	abraham	abraham	PROPN
admet-794	589	14	,	,	PUNCT
admet-794	589	15	a.	a.	PROPN
admet-794	589	16	hersey	hersey	PROPN
admet-794	589	17	.	.	PUNCT
admet-794	590	1	estimation	estimation	NOUN
admet-794	590	2	of	of	ADP
admet-794	590	3	molecular	molecular	ADJ
admet-794	590	4	linear	linear	ADJ
admet-794	590	5	free	free	ADJ
admet-794	590	6	energy	energy	NOUN
admet-794	590	7	relation	relation	NOUN
admet-794	590	8	descriptors	descriptor	NOUN
admet-794	590	9	using	use	VERB
admet-794	590	10	a	a	DET
admet-794	590	11	group	group	NOUN
admet-794	590	12	contribution	contribution	NOUN
admet-794	590	13	approach	approach	NOUN
admet-794	590	14	.	.	PUNCT
admet-794	591	1	j.	j.	PROPN
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admet-794	591	3	.	.	PUNCT
admet-794	592	1	inf	inf	PROPN
admet-794	592	2	.	.	PUNCT
admet-794	592	3	comput	comput	PROPN
admet-794	592	4	.	.	PUNCT
admet-794	593	1	sci	sci	PROPN
admet-794	593	2	.	.	PROPN
admet-794	594	1	39	39	NUM
admet-794	594	2	(	(	PUNCT
admet-794	594	3	1999	1999	NUM
admet-794	594	4	)	)	PUNCT
admet-794	594	5	835	835	NUM
admet-794	594	6	-	-	SYM
admet-794	594	7	845	845	NUM
admet-794	594	8	.	.	PUNCT
admet-794	595	1	[	[	X
admet-794	595	2	43	43	NUM
admet-794	595	3	]	]	X
admet-794	595	4	l.	l.	PROPN
admet-794	595	5	breiman	breiman	PROPN
admet-794	595	6	.	.	PUNCT
admet-794	596	1	random	random	ADJ
admet-794	596	2	forests	forest	NOUN
admet-794	596	3	.	.	PUNCT
admet-794	597	1	mach	mach	NOUN
admet-794	597	2	.	.	PUNCT
admet-794	598	1	learn	learn	VERB
admet-794	598	2	.	.	PUNCT
admet-794	599	1	45	45	NUM
admet-794	599	2	(	(	PUNCT
admet-794	599	3	2001	2001	NUM
admet-794	599	4	)	)	PUNCT
admet-794	599	5	5	5	NUM
admet-794	599	6	-	-	SYM
admet-794	599	7	32	32	NUM
admet-794	599	8	.	.	PUNCT
admet-794	600	1	[	[	X
admet-794	600	2	44	44	NUM
admet-794	600	3	]	]	PUNCT
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admet-794	600	5	liaw	liaw	PROPN
admet-794	600	6	,	,	PUNCT
admet-794	600	7	m.	m.	NOUN
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admet-794	600	9	.	.	PUNCT
admet-794	601	1	classification	classification	NOUN
admet-794	601	2	and	and	CCONJ
admet-794	601	3	regression	regression	NOUN
admet-794	601	4	by	by	ADP
admet-794	601	5	random	random	ADJ
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admet-794	601	7	.	.	PUNCT
admet-794	602	1	r	r	NOUN
admet-794	602	2	news	news	NOUN
admet-794	602	3	2	2	NUM
admet-794	602	4	(	(	PUNCT
admet-794	602	5	2002	2002	NUM
admet-794	602	6	)	)	PUNCT
admet-794	602	7	18	18	NUM
admet-794	602	8	-	-	SYM
admet-794	602	9	22	22	NUM
admet-794	602	10	.	.	PUNCT
admet-794	603	1	[	[	X
admet-794	603	2	45	45	NUM
admet-794	603	3	]	]	SYM
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admet-794	603	5	(	(	PUNCT
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admet-794	603	7	5	5	NUM
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admet-794	603	10	)	)	PUNCT
admet-794	603	11	.	.	PUNCT
admet-794	604	1	[	[	X
admet-794	604	2	46	46	NUM
admet-794	604	3	]	]	PUNCT
admet-794	604	4	a.	a.	NOUN
admet-794	604	5	liaw	liaw	PROPN
admet-794	604	6	.	.	PUNCT
admet-794	605	1	random	random	ADJ
admet-794	605	2	forests	forest	NOUN
admet-794	605	3	what	what	PRON
admet-794	605	4	,	,	PUNCT
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admet-794	605	6	,	,	PUNCT
admet-794	605	7	and	and	CCONJ
admet-794	605	8	how	how	SCONJ
admet-794	605	9	.	.	PUNCT
admet-794	606	1	https://www.youtube.com/watch?v=xjnjlpw9w5a	https://www.youtube.com/watch?v=xjnjlpw9w5a	NOUN
admet-794	606	2	.	.	PUNCT
admet-794	607	1	(	(	PUNCT
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admet-794	607	4	)	)	PUNCT
admet-794	607	5	.	.	PUNCT
admet-794	608	1	https://nyhackr.blob.core.windows.net/presentations/random-forests-whatwhy-and-how_andy_liaw.pdf	https://nyhackr.blob.core.windows.net/presentations/random-forests-whatwhy-and-how_andy_liaw.pdf	PROPN
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admet-794	609	1	[	[	X
admet-794	609	2	47	47	NUM
admet-794	609	3	]	]	PUNCT
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admet-794	609	15	c.j	c.j	PROPN
admet-794	609	16	.	.	PROPN
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admet-794	609	18	.	.	PUNCT
admet-794	610	1	classification	classification	NOUN
admet-794	610	2	and	and	CCONJ
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admet-794	610	5	.	.	PUNCT
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admet-794	611	2	&	&	CCONJ
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admet-794	611	4	/	/	SYM
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admet-794	611	6	:	:	PUNCT
admet-794	611	7	boca	boca	PROPN
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admet-794	611	9	,	,	PUNCT
admet-794	611	10	1984	1984	NUM
admet-794	611	11	.	.	PUNCT
admet-794	612	1	[	[	X
admet-794	612	2	48	48	NUM
admet-794	612	3	]	]	X
admet-794	612	4	t.s	t.s	PROPN
admet-794	612	5	.	.	PROPN
admet-794	612	6	schroeter	schroeter	PROPN
admet-794	612	7	,	,	PUNCT
admet-794	612	8	a.	a.	NOUN
admet-794	612	9	schwaighofer	schwaighofer	NOUN
admet-794	612	10	,	,	PUNCT
admet-794	612	11	s.	s.	PROPN
admet-794	612	12	mika	mika	PROPN
admet-794	612	13	,	,	PUNCT
admet-794	612	14	a.t	a.t	PROPN
admet-794	612	15	.	.	PROPN
admet-794	612	16	laak	laak	PROPN
admet-794	612	17	,	,	PUNCT
admet-794	612	18	d.	d.	PROPN
admet-794	612	19	suelzle	suelzle	PROPN
admet-794	612	20	,	,	PUNCT
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admet-794	612	23	,	,	PUNCT
admet-794	612	24	n.	n.	PROPN
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admet-794	612	28	.	.	PUNCT
admet-794	613	1	müller	müller	PROPN
admet-794	613	2	.	.	PUNCT
admet-794	614	1	estimating	estimate	VERB
admet-794	614	2	the	the	DET
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admet-794	614	8	learning	learn	VERB
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admet-794	614	10	models	model	NOUN
admet-794	614	11	:	:	PUNCT
admet-794	614	12	a	a	DET
admet-794	614	13	study	study	NOUN
admet-794	614	14	on	on	ADP
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admet-794	614	17	of	of	ADP
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admet-794	614	21	.	.	PUNCT
admet-794	615	1	j.	j.	PROPN
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admet-794	615	3	.	.	PUNCT
admet-794	615	4	aided	aid	VERB
admet-794	615	5	mol	mol	PROPN
admet-794	615	6	.	.	PUNCT
admet-794	616	1	des	des	PROPN
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admet-794	616	4	(	(	PUNCT
admet-794	616	5	2007	2007	NUM
admet-794	616	6	)	)	PUNCT
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admet-794	616	8	-	-	SYM
admet-794	616	9	498	498	NUM
admet-794	616	10	.	.	PUNCT
admet-794	617	1	[	[	X
admet-794	617	2	49	49	X
admet-794	617	3	]	]	PUNCT
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admet-794	617	6	,	,	PUNCT
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admet-794	617	8	meylan	meylan	PROPN
admet-794	617	9	.	.	PUNCT
admet-794	618	1	physprop	physprop	PROPN
admet-794	618	2	database	database	PROPN
admet-794	618	3	.	.	PUNCT
admet-794	619	1	syracuse	syracuse	PROPN
admet-794	619	2	research	research	PROPN
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admet-794	619	4	.	.	PROPN
admet-794	619	5	,	,	PUNCT
admet-794	619	6	n.	n.	PROPN
admet-794	619	7	syracuse	syracuse	PROPN
admet-794	619	8	,	,	PUNCT
admet-794	619	9	ny	ny	PROPN
admet-794	619	10	,	,	PUNCT
admet-794	619	11	sept	sept	PROPN
admet-794	619	12	.	.	PROPN
admet-794	619	13	1999	1999	NUM
admet-794	619	14	.	.	PUNCT
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admet-794	620	2	(	(	PUNCT
admet-794	620	3	accessed	access	VERB
admet-794	620	4	3	3	NUM
admet-794	620	5	may	may	PROPN
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admet-794	620	7	)	)	PUNCT
admet-794	620	8	.	.	PUNCT
admet-794	621	1	[	[	X
admet-794	621	2	50	50	NUM
admet-794	621	3	]	]	PUNCT
admet-794	621	4	beilstein	beilstein	ADV
admet-794	621	5	organischen	organischen	PROPN
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admet-794	621	7	,	,	PUNCT
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admet-794	621	9	,	,	PUNCT
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admet-794	621	11	-	-	PUNCT
admet-794	621	12	verlag	verlag	PROPN
admet-794	621	13	.	.	PUNCT
admet-794	622	1	4th	4th	ADJ
admet-794	622	2	ed	ed	NOUN
admet-794	622	3	.	.	PUNCT
admet-794	623	1	(	(	PUNCT
admet-794	623	2	online	online	ADJ
admet-794	623	3	:	:	PUNCT
admet-794	623	4	http://www.elsevier.com/online-tools/reaxys	http://www.elsevier.com/online-tools/reaxys	NOUN
admet-794	623	5	)	)	PUNCT
admet-794	623	6	.	.	PUNCT
admet-794	624	1	[	[	X
admet-794	624	2	51	51	NUM
admet-794	624	3	]	]	X
admet-794	624	4	s.h	s.h	PROPN
admet-794	624	5	.	.	NOUN
admet-794	624	6	yalkowsky	yalkowsky	ADJ
admet-794	624	7	,	,	PUNCT
admet-794	624	8	y.	y.	PROPN
admet-794	624	9	he	he	PRON
admet-794	624	10	.	.	PUNCT
admet-794	625	1	the	the	DET
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admet-794	625	3	of	of	ADP
admet-794	625	4	aqueous	aqueous	ADJ
admet-794	625	5	solubility	solubility	NOUN
admet-794	625	6	data	datum	NOUN
admet-794	625	7	.	.	PUNCT
admet-794	626	1	crc	crc	PROPN
admet-794	626	2	press	press	PROPN
admet-794	626	3	,	,	PUNCT
admet-794	626	4	boca	boca	PROPN
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admet-794	626	6	,	,	PUNCT
admet-794	626	7	2003	2003	NUM
admet-794	626	8	.	.	PUNCT
admet-794	627	1	[	[	X
admet-794	627	2	52	52	NUM
admet-794	627	3	]	]	X
admet-794	627	4	j.s	j.s	PROPN
admet-794	627	5	.	.	PUNCT
admet-794	627	6	delaney	delaney	PROPN
admet-794	627	7	.	.	PUNCT
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admet-794	627	9	:	:	PUNCT
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admet-794	627	12	solubility	solubility	NOUN
admet-794	627	13	directly	directly	ADV
admet-794	627	14	from	from	ADP
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admet-794	627	17	.	.	PUNCT
admet-794	628	1	j.	j.	PROPN
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admet-794	628	3	.	.	PUNCT
admet-794	629	1	inf	inf	PROPN
admet-794	629	2	.	.	PUNCT
admet-794	629	3	comput	comput	PROPN
admet-794	629	4	.	.	PUNCT
admet-794	630	1	sci	sci	PROPN
admet-794	630	2	.	.	PROPN
admet-794	631	1	44	44	NUM
admet-794	631	2	(	(	PUNCT
admet-794	631	3	2004	2004	NUM
admet-794	631	4	)	)	PUNCT
admet-794	631	5	1000	1000	NUM
admet-794	631	6	-	-	SYM
admet-794	631	7	1005	1005	NUM
admet-794	631	8	.	.	PUNCT
admet-794	632	1	[	[	X
admet-794	632	2	53	53	NUM
admet-794	632	3	]	]	SYM
admet-794	632	4	moe	moe	X
admet-794	632	5	.	.	PUNCT
admet-794	632	6	chemical	chemical	PROPN
admet-794	632	7	computing	computing	PROPN
admet-794	632	8	group	group	PROPN
admet-794	632	9	inc	inc	PROPN
admet-794	632	10	.	.	PROPN
admet-794	632	11	,	,	PUNCT
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admet-794	632	13	,	,	PUNCT
admet-794	632	14	qc	qc	PROPN
admet-794	632	15	h3a	h3a	X
admet-794	632	16	2r7	2r7	PROPN
admet-794	632	17	,	,	PUNCT
admet-794	632	18	canada	canada	PROPN
admet-794	632	19	.	.	PUNCT
admet-794	633	1	http://www.chemcomp.com	http://www.chemcomp.com	X
admet-794	633	2	(	(	PUNCT
admet-794	633	3	accessed	access	VERB
admet-794	633	4	6	6	NUM
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admet-794	633	7	)	)	PUNCT
admet-794	633	8	.	.	PUNCT
admet-794	634	1	[	[	X
admet-794	634	2	54	54	NUM
admet-794	634	3	]	]	PUNCT
admet-794	634	4	a.	a.	NOUN
admet-794	634	5	llinàs	llinàs	PROPN
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admet-794	634	8	.	.	PROPN
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admet-794	634	10	,	,	PUNCT
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admet-794	634	14	.	.	PUNCT
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admet-794	635	3	:	:	PUNCT
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admet-794	635	8	of	of	ADP
admet-794	635	9	32	32	NUM
admet-794	635	10	molecules	molecule	NOUN
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admet-794	635	12	a	a	DET
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admet-794	635	14	of	of	ADP
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admet-794	635	18	?	?	PUNCT
admet-794	636	1	j.	j.	PROPN
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admet-794	636	3	.	.	PUNCT
admet-794	637	1	inf	inf	PROPN
admet-794	637	2	.	.	PROPN
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admet-794	637	4	.	.	PUNCT
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admet-794	638	2	(	(	PUNCT
admet-794	638	3	2008	2008	NUM
admet-794	638	4	)	)	PUNCT
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admet-794	638	6	-	-	SYM
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admet-794	638	8	.	.	PUNCT
admet-794	639	1	[	[	X
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admet-794	639	3	]	]	X
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admet-794	639	6	,	,	PUNCT
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admet-794	639	8	.	.	PROPN
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admet-794	639	10	,	,	PUNCT
admet-794	639	11	a.n	a.n	PROPN
admet-794	639	12	.	.	PROPN
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admet-794	639	14	,	,	PUNCT
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admet-794	639	17	,	,	PUNCT
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admet-794	639	20	,	,	PUNCT
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admet-794	639	22	.	.	PROPN
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admet-794	640	12	.	.	PUNCT
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admet-794	642	4	.	.	PUNCT
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admet-794	643	2	(	(	PUNCT
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admet-794	643	4	)	)	PUNCT
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admet-794	643	6	-	-	SYM
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admet-794	643	8	.	.	PUNCT
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admet-794	644	17	8(3	8(3	NUM
admet-794	644	18	)	)	PUNCT
admet-794	644	19	(	(	PUNCT
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admet-794	644	21	)	)	PUNCT
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admet-794	644	23	-	-	SYM
admet-794	644	24	206	206	NUM
admet-794	644	25	200	200	NUM
admet-794	644	26	[	[	X
admet-794	644	27	56	56	NUM
admet-794	644	28	]	]	PUNCT
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admet-794	644	30	avdeef	avdeef	PROPN
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admet-794	645	8	-	-	PUNCT
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admet-794	645	13	.	.	PUNCT
admet-794	646	1	admet	admet	PROPN
admet-794	646	2	&	&	CCONJ
admet-794	646	3	dmpk	dmpk	PROPN
admet-794	646	4	3	3	NUM
admet-794	646	5	(	(	PUNCT
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admet-794	646	7	)	)	PUNCT
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admet-794	646	9	-	-	SYM
admet-794	646	10	109	109	NUM
admet-794	646	11	.	.	PUNCT
admet-794	647	1	[	[	X
admet-794	647	2	57	57	NUM
admet-794	647	3	]	]	PUNCT
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admet-794	647	9	,	,	PUNCT
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admet-794	647	12	-	-	PUNCT
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admet-794	647	14	,	,	PUNCT
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admet-794	647	17	.	.	PUNCT
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admet-794	649	1	admet	admet	PROPN
admet-794	649	2	&	&	CCONJ
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admet-794	649	5	(	(	PUNCT
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admet-794	649	7	)	)	PUNCT
admet-794	649	8	48	48	NUM
admet-794	649	9	-	-	SYM
admet-794	649	10	62	62	NUM
admet-794	649	11	.	.	PUNCT
admet-794	650	1	[	[	X
admet-794	650	2	58	58	NUM
admet-794	650	3	]	]	PUNCT
admet-794	650	4	a.	a.	NOUN
admet-794	650	5	avdeef	avdeef	PROPN
admet-794	650	6	,	,	PUNCT
admet-794	650	7	e.	e.	PROPN
admet-794	650	8	fuguet	fuguet	PROPN
admet-794	650	9	,	,	PUNCT
admet-794	650	10	a.	a.	PROPN
admet-794	650	11	llinàs	llinàs	PROPN
admet-794	650	12	,	,	PUNCT
admet-794	650	13	c.	c.	PROPN
admet-794	650	14	ràfols	ràfols	PROPN
admet-794	650	15	,	,	PUNCT
admet-794	650	16	e.	e.	PROPN
admet-794	650	17	bosch	bosch	PROPN
admet-794	650	18	,	,	PUNCT
admet-794	650	19	g.	g.	PROPN
admet-794	650	20	völgyi	völgyi	PROPN
admet-794	650	21	,	,	PUNCT
admet-794	650	22	t.	t.	NOUN
admet-794	650	23	verbić	verbić	PROPN
admet-794	650	24	,	,	PUNCT
admet-794	650	25	e.	e.	PROPN
admet-794	650	26	boldyreva	boldyreva	PROPN
admet-794	650	27	,	,	PUNCT
admet-794	650	28	k.	k.	PROPN
admet-794	650	29	takács	takács	PROPN
admet-794	650	30	-	-	PUNCT
admet-794	650	31	novák	novák	PROPN
admet-794	650	32	.	.	PUNCT
admet-794	650	33	equilibrium	equilibrium	NOUN
admet-794	650	34	solubility	solubility	NOUN
admet-794	650	35	measurement	measurement	NOUN
admet-794	650	36	of	of	ADP
admet-794	650	37	ionizable	ionizable	ADJ
admet-794	650	38	drugs	drug	NOUN
admet-794	650	39	–	–	PUNCT
admet-794	650	40	consensus	consensus	NOUN
admet-794	650	41	recommendations	recommendation	NOUN
admet-794	650	42	for	for	ADP
admet-794	650	43	improving	improve	VERB
admet-794	650	44	data	datum	NOUN
admet-794	650	45	quality	quality	NOUN
admet-794	650	46	.	.	PUNCT
admet-794	651	1	admet	admet	PROPN
admet-794	651	2	&	&	CCONJ
admet-794	651	3	dmpk	dmpk	PROPN
admet-794	651	4	4	4	NUM
admet-794	651	5	(	(	PUNCT
admet-794	651	6	2016	2016	NUM
admet-794	651	7	)	)	PUNCT
admet-794	651	8	117	117	NUM
admet-794	651	9	-	-	SYM
admet-794	651	10	178	178	NUM
admet-794	651	11	.	.	PUNCT
admet-794	652	1	[	[	X
admet-794	652	2	59	59	NUM
admet-794	652	3	]	]	SYM
admet-794	652	4	o.s	o.s	PROPN
admet-794	652	5	.	.	PROPN
admet-794	652	6	marković	marković	PROPN
admet-794	652	7	,	,	PUNCT
admet-794	652	8	m.p	m.p	PROPN
admet-794	652	9	.	.	PROPN
admet-794	652	10	pešić	pešić	PROPN
admet-794	652	11	,	,	PUNCT
admet-794	652	12	a.v	a.v	PROPN
admet-794	652	13	.	.	PROPN
admet-794	652	14	shah	shah	PROPN
admet-794	652	15	,	,	PUNCT
admet-794	652	16	a.t.m	a.t.m	PROPN
admet-794	652	17	.	.	PUNCT
admet-794	653	1	serajuddin	serajuddin	PROPN
admet-794	653	2	,	,	PUNCT
admet-794	653	3	t.z	t.z	PROPN
admet-794	653	4	.	.	PROPN
admet-794	653	5	verbić	verbić	PROPN
admet-794	653	6	,	,	PUNCT
admet-794	653	7	a.	a.	NOUN
admet-794	653	8	avdeef	avdeef	PROPN
admet-794	653	9	.	.	PUNCT
admet-794	654	1	solubility	solubility	NOUN
admet-794	654	2	-	-	PUNCT
admet-794	654	3	ph	ph	NOUN
admet-794	654	4	profile	profile	NOUN
admet-794	654	5	of	of	ADP
admet-794	654	6	desipramine	desipramine	NOUN
admet-794	654	7	hydrochloride	hydrochloride	NOUN
admet-794	654	8	in	in	ADP
admet-794	654	9	saline	saline	ADJ
admet-794	654	10	phosphate	phosphate	NOUN
admet-794	654	11	buffer	buffer	NOUN
admet-794	654	12	:	:	PUNCT
admet-794	654	13	enhanced	enhance	VERB
admet-794	654	14	solubility	solubility	NOUN
admet-794	654	15	due	due	ADP
admet-794	654	16	to	to	ADP
admet-794	654	17	drug	drug	NOUN
admet-794	654	18	-	-	PUNCT
admet-794	654	19	buffer	buffer	NOUN
admet-794	654	20	aggregates	aggregate	NOUN
admet-794	654	21	.	.	PUNCT
admet-794	655	1	eur	eur	PROPN
admet-794	655	2	.	.	PUNCT
admet-794	656	1	j.	j.	PROPN
admet-794	656	2	pharm	pharm	PROPN
admet-794	656	3	.	.	PUNCT
admet-794	657	1	sci	sci	PROPN
admet-794	657	2	.	.	PROPN
admet-794	658	1	133	133	NUM
admet-794	658	2	(	(	PUNCT
admet-794	658	3	2019	2019	NUM
admet-794	658	4	)	)	PUNCT
admet-794	658	5	264–274	264–274	NUM
admet-794	658	6	.	.	PUNCT
admet-794	659	1	[	[	X
admet-794	659	2	60	60	NUM
admet-794	659	3	]	]	PUNCT
admet-794	659	4	c.a.s	c.a.s	PROPN
admet-794	659	5	.	.	PROPN
admet-794	659	6	bergström	bergström	NOUN
admet-794	659	7	,	,	PUNCT
admet-794	659	8	a.	a.	NOUN
admet-794	659	9	avdeef	avdeef	PROPN
admet-794	659	10	.	.	PUNCT
admet-794	660	1	perspectives	perspective	NOUN
admet-794	660	2	in	in	ADP
admet-794	660	3	solubility	solubility	NOUN
admet-794	660	4	measurement	measurement	NOUN
admet-794	660	5	and	and	CCONJ
admet-794	660	6	interpretation	interpretation	NOUN
admet-794	660	7	.	.	PUNCT
admet-794	661	1	admet	admet	PROPN
admet-794	661	2	&	&	CCONJ
admet-794	661	3	dmpk	dmpk	PROPN
admet-794	661	4	7	7	NUM
admet-794	661	5	(	(	PUNCT
admet-794	661	6	2019	2019	NUM
admet-794	661	7	)	)	PUNCT
admet-794	661	8	88	88	NUM
admet-794	661	9	-	-	SYM
admet-794	661	10	105	105	NUM
admet-794	661	11	.	.	PUNCT
admet-794	662	1	[	[	X
admet-794	662	2	61	61	NUM
admet-794	662	3	]	]	PUNCT
admet-794	662	4	a.	a.	NOUN
admet-794	662	5	avdeef	avdeef	PROPN
admet-794	662	6	.	.	PUNCT
admet-794	663	1	absorption	absorption	NOUN
admet-794	663	2	and	and	CCONJ
admet-794	663	3	drug	drug	NOUN
admet-794	663	4	development	development	NOUN
admet-794	663	5	,	,	PUNCT
admet-794	663	6	second	second	ADJ
admet-794	663	7	edition	edition	NOUN
admet-794	663	8	,	,	PUNCT
admet-794	663	9	wiley	wiley	NOUN
admet-794	663	10	-	-	PUNCT
admet-794	663	11	interscience	interscience	PROPN
admet-794	663	12	,	,	PUNCT
admet-794	663	13	hoboken	hoboken	PROPN
admet-794	663	14	nj	nj	PROPN
admet-794	663	15	,	,	PUNCT
admet-794	663	16	2012	2012	NUM
admet-794	663	17	.	.	PUNCT
admet-794	664	1	[	[	X
admet-794	664	2	62	62	NUM
admet-794	664	3	]	]	PUNCT
admet-794	664	4	g.	g.	PROPN
admet-794	664	5	landrum	landrum	PROPN
admet-794	664	6	,	,	PUNCT
admet-794	664	7	r.	r.	PROPN
admet-794	664	8	lewis	lewis	PROPN
admet-794	664	9	,	,	PUNCT
admet-794	664	10	a.	a.	NOUN
admet-794	664	11	palmer	palmer	PROPN
admet-794	664	12	,	,	PUNCT
admet-794	664	13	n.	n.	PROPN
admet-794	664	14	stiefl	stiefl	PROPN
admet-794	664	15	,	,	PUNCT
admet-794	664	16	a.	a.	NOUN
admet-794	664	17	vulpetti	vulpetti	PROPN
admet-794	664	18	.	.	PUNCT
admet-794	665	1	making	make	VERB
admet-794	665	2	sure	sure	ADJ
admet-794	665	3	there	there	PRON
admet-794	665	4	's	be	VERB
admet-794	665	5	a	a	DET
admet-794	665	6	"	"	PUNCT
admet-794	665	7	give	give	NOUN
admet-794	665	8	"	"	PUNCT
admet-794	665	9	associated	associate	VERB
admet-794	665	10	with	with	ADP
admet-794	665	11	the	the	DET
admet-794	665	12	"	"	PUNCT
admet-794	665	13	take	take	NOUN
admet-794	665	14	"	"	PUNCT
admet-794	665	15	:	:	PUNCT
admet-794	665	16	producing	produce	VERB
admet-794	665	17	and	and	CCONJ
admet-794	665	18	using	use	VERB
admet-794	665	19	open	open	ADJ
admet-794	665	20	-	-	PUNCT
admet-794	665	21	source	source	NOUN
admet-794	665	22	software	software	NOUN
admet-794	665	23	in	in	ADP
admet-794	665	24	big	big	ADJ
admet-794	665	25	pharma	pharma	PROPN
admet-794	665	26	.	.	PUNCT
admet-794	666	1	j.	j.	PROPN
admet-794	666	2	cheminformatics	cheminformatics	PROPN
admet-794	666	3	.	.	PUNCT
admet-794	667	1	3	3	NUM
admet-794	667	2	(	(	PUNCT
admet-794	667	3	2011	2011	NUM
admet-794	667	4	)	)	PUNCT
admet-794	667	5	11	11	NUM
admet-794	667	6	;	;	PUNCT
admet-794	668	1	cf	cf	X
admet-794	668	2	.	.	NUM
admet-794	668	3	,	,	PUNCT
admet-794	668	4	http://www.rdkit.org/	http://www.rdkit.org/	X
admet-794	668	5	(	(	PUNCT
admet-794	668	6	accessed	access	VERB
admet-794	668	7	5	5	NUM
admet-794	668	8	may	may	NOUN
admet-794	668	9	2019	2019	NUM
admet-794	668	10	)	)	PUNCT
admet-794	668	11	.	.	PUNCT
admet-794	669	1	[	[	X
admet-794	669	2	63	63	NUM
admet-794	669	3	]	]	X
admet-794	669	4	l.z	l.z	PROPN
admet-794	669	5	.	.	PROPN
admet-794	669	6	benet	benet	PROPN
admet-794	669	7	,	,	PUNCT
admet-794	669	8	f.	f.	PROPN
admet-794	669	9	broccatelli	broccatelli	PROPN
admet-794	669	10	,	,	PUNCT
admet-794	669	11	t.i	t.i	PROPN
admet-794	669	12	.	.	PROPN
admet-794	669	13	oprea	oprea	PROPN
admet-794	669	14	.	.	PUNCT
admet-794	670	1	bddcs	bddcs	PROPN
admet-794	670	2	applied	apply	VERB
admet-794	670	3	to	to	ADP
admet-794	670	4	over	over	ADP
admet-794	670	5	900	900	NUM
admet-794	670	6	drugs	drug	NOUN
admet-794	670	7	.	.	PUNCT
admet-794	671	1	aaps	aap	NOUN
admet-794	671	2	j.	j.	PROPN
admet-794	671	3	13	13	NUM
admet-794	671	4	(	(	PUNCT
admet-794	671	5	2011	2011	NUM
admet-794	671	6	)	)	PUNCT
admet-794	671	7	519	519	NUM
admet-794	671	8	-	-	SYM
admet-794	671	9	547	547	NUM
admet-794	671	10	.	.	PUNCT
admet-794	672	1	[	[	X
admet-794	672	2	64	64	NUM
admet-794	672	3	]	]	X
admet-794	672	4	m.l	m.l	PROPN
admet-794	672	5	.	.	PROPN
admet-794	672	6	andrew	andrew	PROPN
admet-794	672	7	,	,	PUNCT
admet-794	672	8	p.j	p.j	PROPN
admet-794	672	9	.	.	PROPN
admet-794	672	10	weiss	weiss	PROPN
admet-794	672	11	.	.	PUNCT
admet-794	673	1	solubility	solubility	NOUN
admet-794	673	2	of	of	ADP
admet-794	673	3	antibiotics	antibiotic	NOUN
admet-794	673	4	in	in	ADP
admet-794	673	5	twenty	twenty	NUM
admet-794	673	6	-	-	PUNCT
admet-794	673	7	four	four	NUM
admet-794	673	8	solvents	solvent	NOUN
admet-794	673	9	.	.	PUNCT
admet-794	674	1	ii	ii	PROPN
admet-794	674	2	.	.	PUNCT
admet-794	674	3	antibiot	antibiot	PROPN
admet-794	674	4	.	.	PUNCT
admet-794	675	1	chemother	chemother	PROPN
admet-794	675	2	.	.	PUNCT
admet-794	676	1	9	9	NUM
admet-794	676	2	(	(	PUNCT
admet-794	676	3	1959	1959	NUM
admet-794	676	4	)	)	PUNCT
admet-794	676	5	277	277	NUM
admet-794	676	6	-	-	SYM
admet-794	676	7	279	279	NUM
admet-794	676	8	.	.	PUNCT
admet-794	677	1	[	[	X
admet-794	677	2	65	65	NUM
admet-794	677	3	]	]	X
admet-794	677	4	k.	k.	PROPN
admet-794	677	5	florey	florey	PROPN
admet-794	677	6	.	.	PUNCT
admet-794	678	1	thiostrepton	thiostrepton	PROPN
admet-794	678	2	.	.	PUNCT
admet-794	679	1	anal	anal	PROPN
admet-794	679	2	.	.	PUNCT
admet-794	680	1	prof	prof	PROPN
admet-794	680	2	.	.	PUNCT
admet-794	680	3	drug	drug	NOUN
admet-794	680	4	subst	subst	NOUN
admet-794	680	5	.	.	PUNCT
admet-794	680	6	7	7	NUM
admet-794	680	7	(	(	PUNCT
admet-794	680	8	1978	1978	NUM
admet-794	680	9	)	)	PUNCT
admet-794	680	10	423	423	NUM
admet-794	680	11	-	-	SYM
admet-794	680	12	444	444	NUM
admet-794	680	13	.	.	PUNCT
admet-794	681	1	[	[	X
admet-794	681	2	66	66	NUM
admet-794	681	3	]	]	X
admet-794	681	4	j.r	j.r	PROPN
admet-794	681	5	.	.	PROPN
admet-794	681	6	marsh	marsh	PROPN
admet-794	681	7	,	,	PUNCT
admet-794	681	8	p.j	p.j	PROPN
admet-794	681	9	.	.	PROPN
admet-794	681	10	weiss	weiss	PROPN
admet-794	681	11	.	.	PUNCT
admet-794	682	1	solubility	solubility	NOUN
admet-794	682	2	of	of	ADP
admet-794	682	3	antibiotics	antibiotic	NOUN
admet-794	682	4	in	in	ADP
admet-794	682	5	twenty	twenty	NUM
admet-794	682	6	-	-	PUNCT
admet-794	682	7	six	six	NUM
admet-794	682	8	solvents	solvent	NOUN
admet-794	682	9	.	.	PUNCT
admet-794	683	1	iii	iii	PROPN
admet-794	683	2	,	,	PUNCT
admet-794	683	3	j.	j.	PROPN
admet-794	683	4	assoc	assoc	PROPN
admet-794	683	5	.	.	PUNCT
admet-794	684	1	off	off	ADP
admet-794	684	2	.	.	PUNCT
admet-794	685	1	anal	anal	PROPN
admet-794	685	2	.	.	PUNCT
admet-794	685	3	chem	chem	PROPN
admet-794	685	4	.	.	PUNCT
admet-794	686	1	50	50	NUM
admet-794	686	2	(	(	PUNCT
admet-794	686	3	1967	1967	NUM
admet-794	686	4	)	)	PUNCT
admet-794	686	5	457	457	NUM
admet-794	686	6	-	-	SYM
admet-794	686	7	462	462	NUM
admet-794	686	8	.	.	PUNCT
admet-794	687	1	[	[	X
admet-794	687	2	67	67	NUM
admet-794	687	3	]	]	X
admet-794	687	4	g.	g.	PROPN
admet-794	687	5	ismailos	ismailos	PROPN
admet-794	687	6	,	,	PUNCT
admet-794	687	7	c.	c.	NOUN
admet-794	687	8	peppas	peppas	PROPN
admet-794	687	9	,	,	PUNCT
admet-794	687	10	j.	j.	PROPN
admet-794	687	11	dressman	dressman	PROPN
admet-794	687	12	,	,	PUNCT
admet-794	687	13	p.	p.	PROPN
admet-794	687	14	macheras	macheras	PROPN
admet-794	687	15	.	.	PUNCT
admet-794	688	1	unusual	unusual	ADJ
admet-794	688	2	solubility	solubility	NOUN
admet-794	688	3	behavior	behavior	NOUN
admet-794	688	4	of	of	ADP
admet-794	688	5	cyclosporin	cyclosporin	NOUN
admet-794	688	6	a	a	PRON
admet-794	688	7	in	in	ADP
admet-794	688	8	aqueous	aqueous	ADJ
admet-794	688	9	media	medium	NOUN
admet-794	688	10	.	.	PUNCT
admet-794	689	1	j.	j.	PROPN
admet-794	689	2	pharm	pharm	PROPN
admet-794	689	3	.	.	PUNCT
admet-794	690	1	pharmacol	pharmacol	PROPN
admet-794	690	2	.	.	PUNCT
admet-794	691	1	43	43	NUM
admet-794	691	2	(	(	PUNCT
admet-794	691	3	1991	1991	NUM
admet-794	691	4	)	)	PUNCT
admet-794	691	5	287	287	NUM
admet-794	691	6	-	-	SYM
admet-794	691	7	289	289	NUM
admet-794	691	8	.	.	PUNCT
admet-794	692	1	[	[	X
admet-794	692	2	68	68	NUM
admet-794	692	3	]	]	PUNCT
admet-794	692	4	t.	t.	PROPN
admet-794	692	5	loftsson	loftsson	PROPN
admet-794	692	6	,	,	PUNCT
admet-794	692	7	d.	d.	PROPN
admet-794	692	8	hreinsdóttir	hreinsdóttir	PROPN
admet-794	692	9	,	,	PUNCT
admet-794	692	10	m.	m.	NOUN
admet-794	692	11	másson	másson	PROPN
admet-794	692	12	.	.	PUNCT
admet-794	693	1	evaluation	evaluation	NOUN
admet-794	693	2	of	of	ADP
admet-794	693	3	cyclodextrin	cyclodextrin	NOUN
admet-794	693	4	solubilization	solubilization	NOUN
admet-794	693	5	of	of	ADP
admet-794	693	6	drugs	drug	NOUN
admet-794	693	7	.	.	PUNCT
admet-794	694	1	int	int	NOUN
admet-794	694	2	.	.	PUNCT
admet-794	695	1	j.	j.	PROPN
admet-794	695	2	pharm	pharm	PROPN
admet-794	695	3	.	.	PUNCT
admet-794	696	1	302	302	NUM
admet-794	696	2	(	(	PUNCT
admet-794	696	3	2005	2005	NUM
admet-794	696	4	)	)	PUNCT
admet-794	696	5	18	18	NUM
admet-794	696	6	-	-	SYM
admet-794	696	7	28	28	NUM
admet-794	696	8	.	.	PUNCT
admet-794	697	1	[	[	X
admet-794	697	2	69	69	NUM
admet-794	697	3	]	]	X
admet-794	697	4	s.d	s.d	PROPN
admet-794	697	5	.	.	PROPN
admet-794	697	6	mithani	mithani	PROPN
admet-794	697	7	,	,	PUNCT
admet-794	697	8	v.	v.	ADP
admet-794	697	9	bakatselou	bakatselou	PROPN
admet-794	697	10	,	,	PUNCT
admet-794	697	11	c.n	c.n	PROPN
admet-794	697	12	.	.	PROPN
admet-794	697	13	tenhoor	tenhoor	PROPN
admet-794	697	14	,	,	PUNCT
admet-794	698	1	j.b	j.b	PROPN
admet-794	698	2	.	.	PROPN
admet-794	698	3	dressman	dressman	PROPN
admet-794	698	4	.	.	PUNCT
admet-794	699	1	estimation	estimation	NOUN
admet-794	699	2	of	of	ADP
admet-794	699	3	the	the	DET
admet-794	699	4	increase	increase	NOUN
admet-794	699	5	in	in	ADP
admet-794	699	6	solubility	solubility	NOUN
admet-794	699	7	of	of	ADP
admet-794	699	8	drugs	drug	NOUN
admet-794	699	9	as	as	ADP
admet-794	699	10	a	a	DET
admet-794	699	11	function	function	NOUN
admet-794	699	12	of	of	ADP
admet-794	699	13	bile	bile	NOUN
admet-794	699	14	salt	salt	NOUN
admet-794	699	15	concentration	concentration	NOUN
admet-794	699	16	.	.	PUNCT
admet-794	700	1	pharm	pharm	NOUN
admet-794	700	2	.	.	PUNCT
admet-794	701	1	res	re	NOUN
admet-794	701	2	.	.	PROPN
admet-794	701	3	13	13	NUM
admet-794	701	4	(	(	PUNCT
admet-794	701	5	1996	1996	NUM
admet-794	701	6	)	)	PUNCT
admet-794	701	7	163	163	NUM
admet-794	701	8	-	-	SYM
admet-794	701	9	167	167	NUM
admet-794	701	10	.	.	PUNCT
admet-794	702	1	[	[	X
admet-794	702	2	70	70	NUM
admet-794	702	3	]	]	X
admet-794	702	4	s.n	s.n	PROPN
admet-794	702	5	.	.	PROPN
admet-794	702	6	giri	giri	PROPN
admet-794	702	7	,	,	PUNCT
admet-794	702	8	l.r	l.r	PROPN
admet-794	702	9	.	.	PROPN
admet-794	702	10	kartt	kartt	NOUN
admet-794	702	11	.	.	PUNCT
admet-794	703	1	temperature	temperature	NOUN
admet-794	703	2	dependent	dependent	ADJ
admet-794	703	3	aqueous	aqueous	ADJ
admet-794	703	4	solubility	solubility	NOUN
admet-794	703	5	of	of	ADP
admet-794	703	6	actinomycin	actinomycin	PROPN
admet-794	703	7	d.	d.	PROPN
admet-794	703	8	specialia	specialia	PROPN
admet-794	703	9	31	31	NUM
admet-794	703	10	(	(	PUNCT
admet-794	703	11	1975	1975	NUM
admet-794	703	12	)	)	PUNCT
admet-794	703	13	482	482	NUM
admet-794	703	14	-	-	SYM
admet-794	703	15	483	483	NUM
admet-794	703	16	.	.	PUNCT
admet-794	704	1	[	[	X
admet-794	704	2	71	71	NUM
admet-794	704	3	]	]	X
admet-794	704	4	m.s	m.s	PROPN
admet-794	704	5	.	.	PROPN
admet-794	704	6	ali	ali	PROPN
admet-794	704	7	,	,	PUNCT
admet-794	704	8	m.z	m.z	PROPN
admet-794	704	9	.	.	PROPN
admet-794	704	10	hoemann	hoemann	PROPN
admet-794	704	11	mz	mz	PROPN
admet-794	704	12	,	,	PUNCT
admet-794	704	13	aubé	aubé	PROPN
admet-794	704	14	j	j	PROPN
admet-794	704	15	,	,	PUNCT
admet-794	704	16	mitscher	mitscher	X
admet-794	704	17	la	la	PROPN
admet-794	704	18	,	,	PUNCT
admet-794	704	19	georg	georg	NOUN
admet-794	704	20	gi	gi	NOUN
admet-794	704	21	,	,	PUNCT
admet-794	704	22	mccall	mccall	PROPN
admet-794	704	23	r	r	PROPN
admet-794	704	24	,	,	PUNCT
admet-794	704	25	jayasinghe	jayasinghe	PROPN
admet-794	704	26	lr	lr	PROPN
admet-794	704	27	.	.	PROPN
admet-794	704	28	novel	novel	PROPN
admet-794	704	29	cytotoxic	cytotoxic	ADJ
admet-794	704	30	3	3	NUM
admet-794	704	31	-(tert	-(tert	NOUN
admet-794	704	32	-	-	PUNCT
admet-794	704	33	butyl	butyl	NOUN
admet-794	704	34	)	)	PUNCT
admet-794	704	35	3	3	NUM
admet-794	704	36	-diphenyl	-diphenyl	NOUN
admet-794	704	37	analogs	analog	NOUN
admet-794	704	38	of	of	ADP
admet-794	704	39	paclitaxel	paclitaxel	PROPN
admet-794	704	40	and	and	CCONJ
admet-794	704	41	docetaxel	docetaxel	PROPN
admet-794	704	42	.	.	PUNCT
admet-794	705	1	j.	j.	PROPN
admet-794	705	2	med	med	PROPN
admet-794	705	3	.	.	PROPN
admet-794	705	4	chem	chem	PROPN
admet-794	705	5	.	.	PUNCT
admet-794	706	1	38	38	NUM
admet-794	706	2	(	(	PUNCT
admet-794	706	3	1995	1995	NUM
admet-794	706	4	)	)	PUNCT
admet-794	706	5	3821	3821	NUM
admet-794	706	6	-	-	SYM
admet-794	706	7	3828	3828	NUM
admet-794	706	8	.	.	PUNCT
admet-794	707	1	[	[	X
admet-794	707	2	72	72	NUM
admet-794	707	3	]	]	X
admet-794	707	4	r.	r.	PROPN
admet-794	707	5	takano	takano	PROPN
admet-794	707	6	,	,	PUNCT
admet-794	707	7	k.	k.	PROPN
admet-794	707	8	sugano	sugano	PROPN
admet-794	707	9	,	,	PUNCT
admet-794	707	10	a.	a.	PROPN
admet-794	707	11	higashida	higashida	PROPN
admet-794	707	12	,	,	PUNCT
admet-794	707	13	y.	y.	PROPN
admet-794	707	14	hayashi	hayashi	PROPN
admet-794	707	15	,	,	PUNCT
admet-794	707	16	m.	m.	PROPN
admet-794	707	17	machida	machida	PROPN
admet-794	707	18	,	,	PUNCT
admet-794	707	19	y.	y.	PROPN
admet-794	707	20	aso	aso	PROPN
admet-794	707	21	,	,	PUNCT
admet-794	707	22	s.	s.	PROPN
admet-794	707	23	yamashida	yamashida	PROPN
admet-794	707	24	.	.	PUNCT
admet-794	708	1	oral	oral	ADJ
admet-794	708	2	absorption	absorption	NOUN
admet-794	708	3	of	of	ADP
admet-794	708	4	poorly	poorly	ADV
admet-794	708	5	water	water	NOUN
admet-794	708	6	-	-	PUNCT
admet-794	708	7	soluble	soluble	ADJ
admet-794	708	8	drugs	drug	NOUN
admet-794	708	9	:	:	PUNCT
admet-794	708	10	computer	computer	NOUN
admet-794	708	11	simulation	simulation	NOUN
admet-794	708	12	of	of	ADP
admet-794	708	13	fraction	fraction	NOUN
admet-794	708	14	absorbed	absorb	VERB
admet-794	708	15	in	in	ADP
admet-794	708	16	humans	human	NOUN
admet-794	708	17	from	from	ADP
admet-794	708	18	a	a	DET
admet-794	708	19	miniscale	miniscale	ADJ
admet-794	708	20	dissolution	dissolution	NOUN
admet-794	708	21	test	test	NOUN
admet-794	708	22	.	.	PUNCT
admet-794	709	1	pharm	pharm	NOUN
admet-794	709	2	.	.	PUNCT
admet-794	710	1	res	re	NOUN
admet-794	710	2	.	.	PUNCT
admet-794	711	1	23	23	NUM
admet-794	711	2	(	(	PUNCT
admet-794	711	3	2006	2006	NUM
admet-794	711	4	)	)	PUNCT
admet-794	711	5	1144	1144	NUM
admet-794	711	6	-	-	SYM
admet-794	711	7	1156	1156	NUM
admet-794	711	8	.	.	PUNCT
admet-794	712	1	[	[	X
admet-794	712	2	73	73	NUM
admet-794	712	3	]	]	X
admet-794	712	4	g.a	g.a	PROPN
admet-794	712	5	.	.	PROPN
admet-794	712	6	brewer	brewer	PROPN
admet-794	712	7	.	.	PUNCT
admet-794	713	1	gramicidin	gramicidin	NOUN
admet-794	713	2	.	.	PUNCT
admet-794	714	1	anal	anal	PROPN
admet-794	714	2	.	.	PUNCT
admet-794	715	1	prof	prof	PROPN
admet-794	715	2	.	.	PUNCT
admet-794	715	3	drug	drug	NOUN
admet-794	715	4	subst	subst	NOUN
admet-794	715	5	.	.	PUNCT
admet-794	715	6	8	8	NUM
admet-794	715	7	(	(	PUNCT
admet-794	715	8	1979	1979	NUM
admet-794	715	9	)	)	PUNCT
admet-794	715	10	179	179	NUM
admet-794	715	11	-	-	SYM
admet-794	715	12	218	218	NUM
admet-794	715	13	.	.	PUNCT
admet-794	716	1	[	[	X
admet-794	716	2	74	74	NUM
admet-794	716	3	]	]	X
admet-794	716	4	d.	d.	PROPN
admet-794	716	5	pitré	pitré	PROPN
admet-794	716	6	,	,	PUNCT
admet-794	716	7	a.	a.	NOUN
admet-794	716	8	davies	davy	NOUN
admet-794	716	9	,	,	PUNCT
admet-794	716	10	m.	m.	NOUN
admet-794	716	11	grandi	grandi	PROPN
admet-794	716	12	.	.	PUNCT
admet-794	717	1	profile	profile	NOUN
admet-794	717	2	of	of	ADP
admet-794	717	3	iodoxamic	iodoxamic	ADJ
admet-794	717	4	acid	acid	NOUN
admet-794	717	5	.	.	PUNCT
admet-794	718	1	anal	anal	PROPN
admet-794	718	2	.	.	PUNCT
admet-794	719	1	prof	prof	PROPN
admet-794	719	2	.	.	PUNCT
admet-794	719	3	drug	drug	PROPN
admet-794	719	4	subst	subst	PROPN
admet-794	719	5	.	.	PUNCT
admet-794	720	1	excip	excip	NOUN
admet-794	720	2	.	.	PUNCT
admet-794	721	1	20	20	NUM
admet-794	721	2	(	(	PUNCT
admet-794	721	3	1991	1991	NUM
admet-794	721	4	)	)	PUNCT
admet-794	721	5	303335	303335	NUM
admet-794	721	6	.	.	PUNCT
admet-794	722	1	[	[	X
admet-794	722	2	75	75	NUM
admet-794	722	3	]	]	X
admet-794	722	4	n.a	n.a	PROPN
admet-794	722	5	.	.	PROPN
admet-794	722	6	kasim	kasim	PROPN
admet-794	722	7	,	,	PUNCT
admet-794	722	8	m.	m.	NOUN
admet-794	722	9	whitehouse	whitehouse	NOUN
admet-794	722	10	,	,	PUNCT
admet-794	722	11	c.	c.	PROPN
admet-794	722	12	ramachandran	ramachandran	PROPN
admet-794	722	13	,	,	PUNCT
admet-794	722	14	g.l	g.l	PROPN
admet-794	722	15	.	.	PROPN
admet-794	722	16	amidon	amidon	PROPN
admet-794	722	17	.	.	PUNCT
admet-794	723	1	molecular	molecular	ADJ
admet-794	723	2	properties	property	NOUN
admet-794	723	3	of	of	ADP
admet-794	723	4	who	who	PRON
admet-794	723	5	essential	essential	ADJ
admet-794	723	6	drugs	drug	NOUN
admet-794	723	7	and	and	CCONJ
admet-794	723	8	provisional	provisional	ADJ
admet-794	723	9	biopharmaceutical	biopharmaceutical	NOUN
admet-794	723	10	classification	classification	NOUN
admet-794	723	11	.	.	PUNCT
admet-794	724	1	mol	mol	PROPN
admet-794	724	2	.	.	PUNCT
admet-794	725	1	pharmaceutics	pharmaceutic	NOUN
admet-794	725	2	1	1	NUM
admet-794	725	3	(	(	PUNCT
admet-794	725	4	2004	2004	NUM
admet-794	725	5	)	)	PUNCT
admet-794	725	6	85	85	NUM
admet-794	725	7	-	-	SYM
admet-794	725	8	96	96	NUM
admet-794	725	9	.	.	PUNCT
admet-794	726	1	[	[	X
admet-794	726	2	76	76	NUM
admet-794	726	3	]	]	X
admet-794	726	4	b.i	b.i	PROPN
admet-794	726	5	.	.	PROPN
admet-794	726	6	escher	escher	PROPN
admet-794	726	7	,	,	PUNCT
admet-794	726	8	c.	c.	PROPN
admet-794	726	9	berger	berger	PROPN
admet-794	726	10	,	,	PUNCT
admet-794	726	11	n.	n.	PROPN
admet-794	726	12	bramaz	bramaz	PROPN
admet-794	726	13	,	,	PUNCT
admet-794	726	14	j.-h	j.-h	PROPN
admet-794	726	15	.	.	PUNCT
admet-794	727	1	kwon	kwon	PROPN
admet-794	727	2	,	,	PUNCT
admet-794	727	3	m.	m.	NOUN
admet-794	727	4	richter	richter	PROPN
admet-794	727	5	,	,	PUNCT
admet-794	727	6	o.	o.	PROPN
admet-794	727	7	tsinman	tsinman	NOUN
admet-794	727	8	,	,	PUNCT
admet-794	727	9	a.	a.	NOUN
admet-794	727	10	avdeef	avdeef	PROPN
admet-794	727	11	.	.	PUNCT
admet-794	728	1	membrane	membrane	NOUN
admet-794	728	2	-	-	PUNCT
admet-794	728	3	water	water	NOUN
admet-794	728	4	partitioning	partitioning	NOUN
admet-794	728	5	,	,	PUNCT
admet-794	728	6	membrane	membrane	NOUN
admet-794	728	7	permeability	permeability	NOUN
admet-794	728	8	and	and	CCONJ
admet-794	728	9	non	non	ADJ
admet-794	728	10	-	-	ADJ
admet-794	728	11	target	target	ADJ
admet-794	728	12	modes	mode	NOUN
admet-794	728	13	of	of	ADP
admet-794	728	14	action	action	NOUN
admet-794	728	15	in	in	ADP
admet-794	728	16	aquatic	aquatic	ADJ
admet-794	728	17	organisms	organism	NOUN
admet-794	728	18	of	of	ADP
admet-794	728	19	the	the	DET
admet-794	728	20	parasiticides	parasiticide	NOUN
admet-794	728	21	ivermectin	ivermectin	NOUN
admet-794	728	22	,	,	PUNCT
admet-794	728	23	albendazole	albendazole	NOUN
admet-794	728	24	and	and	CCONJ
admet-794	728	25	morantel	morantel	NOUN
admet-794	728	26	.	.	PUNCT
admet-794	729	1	envir	envir	PROPN
admet-794	729	2	.	.	PUNCT
admet-794	730	1	tox	tox	PROPN
admet-794	730	2	.	.	PUNCT
admet-794	730	3	chem	chem	PROPN
admet-794	730	4	.	.	PUNCT
admet-794	731	1	27	27	NUM
admet-794	731	2	(	(	PUNCT
admet-794	731	3	2008	2008	NUM
admet-794	731	4	)	)	PUNCT
admet-794	731	5	909	909	NUM
admet-794	731	6	-	-	SYM
admet-794	731	7	918	918	NUM
admet-794	731	8	.	.	PUNCT
admet-794	732	1	[	[	X
admet-794	732	2	77	77	NUM
admet-794	732	3	]	]	X
admet-794	732	4	r.	r.	PROPN
admet-794	732	5	takano	takano	PROPN
admet-794	732	6	,	,	PUNCT
admet-794	732	7	k.	k.	PROPN
admet-794	732	8	sugano	sugano	PROPN
admet-794	732	9	,	,	PUNCT
admet-794	732	10	y.	y.	PROPN
admet-794	732	11	hayashi	hayashi	PROPN
admet-794	732	12	,	,	PUNCT
admet-794	732	13	m.	m.	PROPN
admet-794	732	14	machida	machida	PROPN
admet-794	732	15	,	,	PUNCT
admet-794	732	16	y.	y.	PROPN
admet-794	732	17	aso	aso	PROPN
admet-794	732	18	,	,	PUNCT
admet-794	732	19	s.	s.	PROPN
admet-794	732	20	yamashita	yamashita	PROPN
admet-794	732	21	.	.	PUNCT
admet-794	733	1	annual	annual	ADJ
admet-794	733	2	meeting	meeting	NOUN
admet-794	733	3	of	of	ADP
admet-794	733	4	the	the	DET
admet-794	733	5	academy	academy	NOUN
admet-794	733	6	of	of	ADP
admet-794	733	7	pharmaceutical	pharmaceutical	NOUN
admet-794	733	8	science	science	NOUN
admet-794	733	9	and	and	CCONJ
admet-794	733	10	technology	technology	NOUN
admet-794	733	11	,	,	PUNCT
admet-794	733	12	japan	japan	PROPN
admet-794	733	13	.	.	PUNCT
admet-794	734	1	tokyo	tokyo	PROPN
admet-794	734	2	(	(	PUNCT
admet-794	734	3	2005	2005	NUM
admet-794	734	4	)	)	PUNCT
admet-794	734	5	.	.	PUNCT
admet-794	735	1	[	[	X
admet-794	735	2	78	78	NUM
admet-794	735	3	]	]	X
admet-794	735	4	d.	d.	PROPN
admet-794	735	5	singh	singh	PROPN
admet-794	735	6	,	,	PUNCT
admet-794	735	7	k.	k.	PROPN
admet-794	735	8	pathak	pathak	PROPN
admet-794	735	9	.	.	PUNCT
admet-794	736	1	hydrogen	hydrogen	NOUN
admet-794	736	2	bond	bond	NOUN
admet-794	736	3	replacement	replacement	NOUN
admet-794	736	4	unearthing	unearth	VERB
admet-794	736	5	a	a	DET
admet-794	736	6	novel	novel	ADJ
admet-794	736	7	molecular	molecular	ADJ
admet-794	736	8	mechanism	mechanism	NOUN
admet-794	736	9	of	of	ADP
admet-794	736	10	surface	surface	NOUN
admet-794	736	11	solid	solid	ADJ
admet-794	736	12	dispersion	dispersion	NOUN
admet-794	736	13	for	for	ADP
admet-794	736	14	enhanced	enhanced	ADJ
admet-794	736	15	solubility	solubility	NOUN
admet-794	736	16	of	of	ADP
admet-794	736	17	a	a	DET
admet-794	736	18	drug	drug	NOUN
admet-794	736	19	for	for	ADP
admet-794	736	20	veterinary	veterinary	ADJ
admet-794	736	21	uses	use	NOUN
admet-794	736	22	.	.	PUNCT
admet-794	737	1	int	int	NOUN
admet-794	737	2	.	.	PUNCT
admet-794	738	1	j.	j.	PROPN
admet-794	738	2	pharm	pharm	PROPN
admet-794	738	3	.	.	PUNCT
admet-794	739	1	441	441	NUM
admet-794	739	2	(	(	PUNCT
admet-794	739	3	2013	2013	NUM
admet-794	739	4	)	)	PUNCT
admet-794	739	5	99	99	NUM
admet-794	739	6	-	-	SYM
admet-794	739	7	110	110	NUM
admet-794	739	8	.	.	PUNCT
admet-794	739	9	http://www.rdkit.org/	http://www.rdkit.org/	PROPN
admet-794	739	10	admet	admet	PROPN
admet-794	739	11	&	&	CCONJ
admet-794	739	12	dmpk	dmpk	PROPN
admet-794	739	13	8(3	8(3	NUM
admet-794	739	14	)	)	PUNCT
admet-794	739	15	(	(	PUNCT
admet-794	739	16	2020	2020	NUM
admet-794	739	17	)	)	PUNCT
admet-794	739	18	180	180	NUM
admet-794	739	19	-	-	SYM
admet-794	739	20	206	206	NUM
admet-794	739	21	can	can	AUX
admet-794	739	22	small	small	ADJ
admet-794	739	23	drugs	drug	NOUN
admet-794	739	24	predict	predict	VERB
admet-794	739	25	log	log	NOUN
admet-794	739	26	s0	s0	PROPN
admet-794	739	27	of	of	ADP
admet-794	739	28	‘	'	PUNCT
admet-794	739	29	beyond	beyond	ADP
admet-794	739	30	rule	rule	NOUN
admet-794	739	31	of	of	ADP
admet-794	739	32	5	5	NUM
admet-794	739	33	’	'	PUNCT
admet-794	739	34	big	big	ADJ
admet-794	739	35	drugs	drug	NOUN
admet-794	739	36	?	?	PUNCT
admet-794	740	1	doi	doi	NOUN
admet-794	740	2	:	:	PUNCT
admet-794	740	3	http://dx.doi.org/10.5599/admet.794	http://dx.doi.org/10.5599/admet.794	ADJ
admet-794	740	4	201	201	NUM
admet-794	740	5	[	[	SYM
admet-794	740	6	79	79	NUM
admet-794	740	7	]	]	X
admet-794	740	8	s.t	s.t	PROPN
admet-794	740	9	.	.	PROPN
admet-794	740	10	anik	anik	PROPN
admet-794	740	11	,	,	PUNCT
admet-794	740	12	d.m	d.m	PROPN
admet-794	740	13	.	.	PUNCT
admet-794	740	14	johnson	johnson	PROPN
admet-794	740	15	.	.	PUNCT
admet-794	741	1	preformulation	preformulation	NOUN
admet-794	741	2	and	and	CCONJ
admet-794	741	3	formulation	formulation	NOUN
admet-794	741	4	considerations	consideration	NOUN
admet-794	741	5	of	of	ADP
admet-794	741	6	peptide	peptide	ADJ
admet-794	741	7	drugs	drug	NOUN
admet-794	741	8	:	:	PUNCT
admet-794	741	9	case	case	NOUN
admet-794	741	10	history	history	NOUN
admet-794	741	11	of	of	ADP
admet-794	741	12	an	an	DET
admet-794	741	13	lhrh	lhrh	NOUN
admet-794	741	14	analog	analog	NOUN
admet-794	741	15	.	.	PUNCT
admet-794	742	1	in	in	ADP
admet-794	742	2	:	:	PUNCT
admet-794	742	3	lee	lee	PROPN
admet-794	742	4	vhl(ed	vhl(ed	PROPN
admet-794	742	5	.	.	PUNCT
admet-794	742	6	)	)	PUNCT
admet-794	742	7	.	.	PUNCT
admet-794	743	1	peptides	peptide	NOUN
admet-794	743	2	and	and	CCONJ
admet-794	743	3	drug	drug	NOUN
admet-794	743	4	delivery	delivery	NOUN
admet-794	743	5	.	.	PUNCT
admet-794	744	1	marcel	marcel	PROPN
admet-794	744	2	dekker	dekker	PROPN
admet-794	744	3	,	,	PUNCT
admet-794	744	4	inc	inc	PROPN
admet-794	744	5	.	.	PROPN
admet-794	744	6	,	,	PUNCT
admet-794	744	7	new	new	PROPN
admet-794	744	8	york	york	PROPN
admet-794	744	9	,	,	PUNCT
admet-794	744	10	1991	1991	NUM
admet-794	744	11	,	,	PUNCT
admet-794	744	12	pp	pp	ADV
admet-794	744	13	769	769	NUM
admet-794	744	14	-	-	PUNCT
admet-794	744	15	784	784	NUM
admet-794	744	16	.	.	PUNCT
admet-794	745	1	[	[	X
admet-794	745	2	80	80	NUM
admet-794	745	3	]	]	X
admet-794	745	4	g.w	g.w	PROPN
admet-794	745	5	.	.	PROPN
admet-794	745	6	michel	michel	PROPN
admet-794	745	7	.	.	PUNCT
admet-794	745	8	nystatin	nystatin	PROPN
admet-794	745	9	.	.	PUNCT
admet-794	746	1	anal	anal	PROPN
admet-794	746	2	.	.	PUNCT
admet-794	747	1	prof	prof	PROPN
admet-794	747	2	.	.	PUNCT
admet-794	747	3	drug	drug	NOUN
admet-794	747	4	subst	subst	NOUN
admet-794	747	5	.	.	PUNCT
admet-794	748	1	6	6	NUM
admet-794	748	2	(	(	PUNCT
admet-794	748	3	1977	1977	NUM
admet-794	748	4	)	)	PUNCT
admet-794	748	5	341	341	NUM
admet-794	748	6	-	-	SYM
admet-794	748	7	422	422	NUM
admet-794	748	8	.	.	PUNCT
admet-794	749	1	[	[	X
admet-794	749	2	81	81	NUM
admet-794	749	3	]	]	PUNCT
admet-794	749	4	f.	f.	NOUN
admet-794	749	5	nachtmann	nachtmann	PROPN
admet-794	749	6	,	,	PUNCT
admet-794	749	7	k.	k.	PROPN
admet-794	749	8	krummen	krummen	PROPN
admet-794	749	9	,	,	PUNCT
admet-794	749	10	f.	f.	PROPN
admet-794	749	11	maxl	maxl	PROPN
admet-794	749	12	,	,	PUNCT
admet-794	749	13	e.	e.	PROPN
admet-794	749	14	riemer	riemer	PROPN
admet-794	749	15	.	.	PUNCT
admet-794	750	1	oxytocin	oxytocin	PROPN
admet-794	750	2	.	.	PUNCT
admet-794	751	1	anal	anal	PROPN
admet-794	751	2	.	.	PUNCT
admet-794	752	1	prof	prof	PROPN
admet-794	752	2	.	.	PUNCT
admet-794	752	3	drug	drug	NOUN
admet-794	752	4	subst	subst	NOUN
admet-794	752	5	.	.	PUNCT
admet-794	753	1	10	10	NUM
admet-794	753	2	(	(	PUNCT
admet-794	753	3	1981	1981	NUM
admet-794	753	4	)	)	PUNCT
admet-794	753	5	563	563	NUM
admet-794	753	6	-	-	SYM
admet-794	753	7	600	600	NUM
admet-794	753	8	.	.	PUNCT
admet-794	754	1	[	[	X
admet-794	754	2	82	82	NUM
admet-794	754	3	]	]	PUNCT
admet-794	754	4	c.a.s	c.a.s	PROPN
admet-794	754	5	.	.	PROPN
admet-794	754	6	bergström	bergström	PROPN
admet-794	754	7	,	,	PUNCT
admet-794	754	8	c.m	c.m	PROPN
admet-794	754	9	.	.	PROPN
admet-794	754	10	wassvik	wassvik	PROPN
admet-794	754	11	,	,	PUNCT
admet-794	754	12	u.	u.	PROPN
admet-794	754	13	norinder	norinder	PROPN
admet-794	754	14	,	,	PUNCT
admet-794	754	15	k.	k.	PROPN
admet-794	754	16	luthman	luthman	PROPN
admet-794	754	17	,	,	PUNCT
admet-794	754	18	p.	p.	PROPN
admet-794	754	19	artursson	artursson	PROPN
admet-794	754	20	.	.	PUNCT
admet-794	755	1	global	global	ADJ
admet-794	755	2	and	and	CCONJ
admet-794	755	3	local	local	ADJ
admet-794	755	4	computational	computational	ADJ
admet-794	755	5	models	model	NOUN
admet-794	755	6	for	for	ADP
admet-794	755	7	aqueous	aqueous	ADJ
admet-794	755	8	solubility	solubility	NOUN
admet-794	755	9	prediction	prediction	NOUN
admet-794	755	10	of	of	ADP
admet-794	755	11	drug	drug	NOUN
admet-794	755	12	-	-	PUNCT
admet-794	755	13	like	like	ADJ
admet-794	755	14	molecules	molecule	NOUN
admet-794	755	15	.	.	PUNCT
admet-794	756	1	j.	j.	PROPN
admet-794	756	2	chem	chem	PROPN
admet-794	756	3	.	.	PUNCT
admet-794	757	1	inf	inf	PROPN
admet-794	757	2	.	.	PUNCT
admet-794	757	3	comput	comput	PROPN
admet-794	757	4	.	.	PUNCT
admet-794	758	1	sci	sci	PROPN
admet-794	758	2	.	.	PROPN
admet-794	759	1	44	44	NUM
admet-794	759	2	(	(	PUNCT
admet-794	759	3	2004	2004	NUM
admet-794	759	4	)	)	PUNCT
admet-794	759	5	1477	1477	NUM
admet-794	759	6	-	-	SYM
admet-794	759	7	1488	1488	NUM
admet-794	759	8	.	.	PUNCT
admet-794	760	1	[	[	X
admet-794	760	2	83	83	NUM
admet-794	760	3	]	]	X
admet-794	760	4	j.	j.	PROPN
admet-794	760	5	lee	lee	PROPN
admet-794	760	6	,	,	PUNCT
admet-794	760	7	s.c	s.c	PROPN
admet-794	760	8	.	.	PROPN
admet-794	760	9	lee	lee	PROPN
admet-794	760	10	,	,	PUNCT
admet-794	760	11	g.	g.	PROPN
admet-794	760	12	acharya	acharya	PROPN
admet-794	760	13	,	,	PUNCT
admet-794	760	14	c.j	c.j	PROPN
admet-794	760	15	.	.	PROPN
admet-794	760	16	chang	chang	PROPN
admet-794	760	17	,	,	PUNCT
admet-794	760	18	k.	k.	PROPN
admet-794	760	19	park	park	PROPN
admet-794	760	20	.	.	PUNCT
admet-794	761	1	hydrotropic	hydrotropic	VERB
admet-794	761	2	solubilization	solubilization	NOUN
admet-794	761	3	of	of	ADP
admet-794	761	4	paclitaxel	paclitaxel	PROPN
admet-794	761	5	:	:	PUNCT
admet-794	761	6	analysis	analysis	NOUN
admet-794	761	7	of	of	ADP
admet-794	761	8	chemical	chemical	ADJ
admet-794	761	9	structures	structure	NOUN
admet-794	761	10	for	for	ADP
admet-794	761	11	hydrotropic	hydrotropic	NOUN
admet-794	761	12	property	property	NOUN
admet-794	761	13	.	.	PUNCT
admet-794	762	1	pharm	pharm	NOUN
admet-794	762	2	.	.	PUNCT
admet-794	763	1	res	re	NOUN
admet-794	763	2	.	.	PROPN
admet-794	764	1	20	20	NUM
admet-794	764	2	(	(	PUNCT
admet-794	764	3	2003	2003	NUM
admet-794	764	4	)	)	PUNCT
admet-794	764	5	1022	1022	NUM
admet-794	764	6	-	-	SYM
admet-794	764	7	1030	1030	NUM
admet-794	764	8	.	.	PUNCT
admet-794	765	1	[	[	X
admet-794	765	2	84	84	NUM
admet-794	765	3	]	]	PUNCT
admet-794	765	4	p.	p.	PROPN
admet-794	765	5	simamora	simamora	PROPN
admet-794	765	6	,	,	PUNCT
admet-794	765	7	j.m	j.m	PROPN
admet-794	765	8	.	.	PROPN
admet-794	765	9	alvarez	alvarez	PROPN
admet-794	765	10	,	,	PUNCT
admet-794	765	11	s.h	s.h	PROPN
admet-794	765	12	.	.	NOUN
admet-794	765	13	yalkowsky	yalkowsky	ADJ
admet-794	765	14	.	.	PUNCT
admet-794	766	1	solubilization	solubilization	NOUN
admet-794	766	2	of	of	ADP
admet-794	766	3	rapamycin	rapamycin	NOUN
admet-794	766	4	.	.	PUNCT
admet-794	767	1	int	int	NOUN
admet-794	767	2	.	.	PUNCT
admet-794	768	1	j.	j.	PROPN
admet-794	768	2	pharm	pharm	PROPN
admet-794	768	3	.	.	PUNCT
admet-794	769	1	213	213	NUM
admet-794	769	2	(	(	PUNCT
admet-794	769	3	2001	2001	NUM
admet-794	769	4	)	)	PUNCT
admet-794	769	5	2529	2529	NUM
admet-794	769	6	.	.	PUNCT
admet-794	770	1	[	[	X
admet-794	770	2	85	85	NUM
admet-794	770	3	]	]	X
admet-794	770	4	b.n	b.n	PROPN
admet-794	770	5	.	.	PROPN
admet-794	770	6	singh	singh	PROPN
admet-794	770	7	.	.	PUNCT
admet-794	771	1	a	a	DET
admet-794	771	2	quantitative	quantitative	ADJ
admet-794	771	3	approach	approach	NOUN
admet-794	771	4	to	to	PART
admet-794	771	5	probe	probe	VERB
admet-794	771	6	the	the	DET
admet-794	771	7	dependence	dependence	NOUN
admet-794	771	8	and	and	CCONJ
admet-794	771	9	correlation	correlation	NOUN
admet-794	771	10	of	of	ADP
admet-794	771	11	food	food	NOUN
admet-794	771	12	-	-	PUNCT
admet-794	771	13	effect	effect	NOUN
admet-794	771	14	with	with	ADP
admet-794	771	15	aqueous	aqueous	ADJ
admet-794	771	16	solubility	solubility	NOUN
admet-794	771	17	,	,	PUNCT
admet-794	771	18	dose	dose	NOUN
admet-794	771	19	/	/	SYM
admet-794	771	20	solubility	solubility	NOUN
admet-794	771	21	ratio	ratio	NOUN
admet-794	771	22	,	,	PUNCT
admet-794	771	23	and	and	CCONJ
admet-794	771	24	partition	partition	NOUN
admet-794	771	25	coefficient	coefficient	NOUN
admet-794	771	26	(	(	PUNCT
admet-794	771	27	log	log	VERB
admet-794	771	28	p	p	X
admet-794	771	29	)	)	PUNCT
admet-794	771	30	for	for	ADP
admet-794	771	31	orally	orally	ADV
admet-794	771	32	active	active	ADJ
admet-794	771	33	drugs	drug	NOUN
admet-794	771	34	administered	administer	VERB
admet-794	771	35	as	as	ADP
admet-794	771	36	immediate	immediate	ADJ
admet-794	771	37	-	-	PUNCT
admet-794	771	38	release	release	NOUN
admet-794	771	39	formulations	formulation	NOUN
admet-794	771	40	,	,	PUNCT
admet-794	771	41	drug	drug	PROPN
admet-794	771	42	dev	dev	PROPN
admet-794	771	43	.	.	PUNCT
admet-794	772	1	res	re	NOUN
admet-794	772	2	.	.	PROPN
admet-794	773	1	65	65	NUM
admet-794	773	2	(	(	PUNCT
admet-794	773	3	2005	2005	NUM
admet-794	773	4	)	)	PUNCT
admet-794	773	5	55	55	NUM
admet-794	773	6	-	-	SYM
admet-794	773	7	75	75	NUM
admet-794	773	8	.	.	PUNCT
admet-794	774	1	[	[	X
admet-794	774	2	86	86	NUM
admet-794	774	3	]	]	X
admet-794	774	4	g.f	g.f	PROPN
admet-794	774	5	.	.	PROPN
admet-794	774	6	plöger	plöger	PROPN
admet-794	774	7	,	,	PUNCT
admet-794	774	8	m.a	m.a	PROPN
admet-794	774	9	.	.	PROPN
admet-794	774	10	hofsäss	hofsäss	PROPN
admet-794	774	11	,	,	PUNCT
admet-794	774	12	j.b	j.b	PROPN
admet-794	774	13	.	.	PROPN
admet-794	774	14	dressman	dressman	PROPN
admet-794	774	15	.	.	PUNCT
admet-794	775	1	solubility	solubility	NOUN
admet-794	775	2	determination	determination	NOUN
admet-794	775	3	of	of	ADP
admet-794	775	4	active	active	ADJ
admet-794	775	5	pharmaceutical	pharmaceutical	ADJ
admet-794	775	6	ingredients	ingredient	NOUN
admet-794	775	7	which	which	PRON
admet-794	775	8	have	have	AUX
admet-794	775	9	been	be	AUX
admet-794	775	10	recently	recently	ADV
admet-794	775	11	added	add	VERB
admet-794	775	12	to	to	ADP
admet-794	775	13	the	the	DET
admet-794	775	14	list	list	NOUN
admet-794	775	15	of	of	ADP
admet-794	775	16	essential	essential	ADJ
admet-794	775	17	medicines	medicine	NOUN
admet-794	775	18	in	in	ADP
admet-794	775	19	the	the	DET
admet-794	775	20	context	context	NOUN
admet-794	775	21	of	of	ADP
admet-794	775	22	the	the	DET
admet-794	775	23	biopharmaceutics	biopharmaceutics	NOUN
admet-794	775	24	classification	classification	NOUN
admet-794	775	25	system	system	NOUN
admet-794	775	26	biowaiver	biowaiver	NOUN
admet-794	775	27	.	.	PUNCT
admet-794	776	1	j.	j.	PROPN
admet-794	776	2	pharm.sci	pharm.sci	PROPN
admet-794	776	3	.	.	PROPN
admet-794	777	1	107	107	NUM
admet-794	777	2	(	(	PUNCT
admet-794	777	3	2018	2018	NUM
admet-794	777	4	)	)	PUNCT
admet-794	777	5	1478	1478	NUM
admet-794	777	6	-	-	SYM
admet-794	777	7	1488	1488	NUM
admet-794	777	8	.	.	PUNCT
admet-794	778	1	[	[	X
admet-794	778	2	87	87	NUM
admet-794	778	3	]	]	X
admet-794	778	4	g.g	g.g	PROPN
admet-794	778	5	.	.	PROPN
admet-794	778	6	gallo	gallo	PROPN
admet-794	778	7	,	,	PUNCT
admet-794	778	8	p.	p.	PROPN
admet-794	778	9	radaelli	radaelli	PROPN
admet-794	778	10	.	.	PUNCT
admet-794	779	1	rifampacin	rifampacin	PROPN
admet-794	779	2	.	.	PUNCT
admet-794	780	1	anal	anal	PROPN
admet-794	780	2	.	.	PUNCT
admet-794	781	1	prof	prof	PROPN
admet-794	781	2	.	.	PUNCT
admet-794	781	3	drug	drug	NOUN
admet-794	781	4	subst	subst	NOUN
admet-794	781	5	.	.	PUNCT
admet-794	781	6	5	5	NUM
admet-794	781	7	(	(	PUNCT
admet-794	781	8	1976	1976	NUM
admet-794	781	9	)	)	PUNCT
admet-794	781	10	467	467	NUM
admet-794	781	11	-	-	SYM
admet-794	781	12	514	514	NUM
admet-794	781	13	.	.	PUNCT
admet-794	782	1	[	[	X
admet-794	782	2	88	88	NUM
admet-794	782	3	]	]	X
admet-794	782	4	g.	g.	PROPN
admet-794	782	5	boman	boman	PROPN
admet-794	782	6	,	,	PUNCT
admet-794	782	7	p.	p.	PROPN
admet-794	782	8	lundgren	lundgren	PROPN
admet-794	782	9	,	,	PUNCT
admet-794	782	10	g.	g.	PROPN
admet-794	782	11	stjernstrom	stjernstrom	PROPN
admet-794	782	12	.	.	PUNCT
admet-794	783	1	mechanism	mechanism	NOUN
admet-794	783	2	of	of	ADP
admet-794	783	3	the	the	DET
admet-794	783	4	inhibitory	inhibitory	ADJ
admet-794	783	5	effects	effect	NOUN
admet-794	783	6	of	of	ADP
admet-794	783	7	pas	pas	NOUN
admet-794	783	8	granules	granule	NOUN
admet-794	783	9	on	on	ADP
admet-794	783	10	the	the	DET
admet-794	783	11	absorption	absorption	NOUN
admet-794	783	12	of	of	ADP
admet-794	783	13	rifampicin	rifampicin	NOUN
admet-794	783	14	:	:	PUNCT
admet-794	783	15	adsorption	adsorption	NOUN
admet-794	783	16	of	of	ADP
admet-794	783	17	rifampicin	rifampicin	VERB
admet-794	783	18	by	by	ADP
admet-794	783	19	an	an	DET
admet-794	783	20	excipient	excipient	ADJ
admet-794	783	21	,	,	PUNCT
admet-794	783	22	bentonite	bentonite	NOUN
admet-794	783	23	.	.	PUNCT
admet-794	784	1	eur	eur	PROPN
admet-794	784	2	.	.	PUNCT
admet-794	785	1	j.	j.	PROPN
admet-794	785	2	clin	clin	PROPN
admet-794	785	3	.	.	PUNCT
admet-794	786	1	pharmacol	pharmacol	PROPN
admet-794	786	2	.	.	PROPN
admet-794	787	1	8	8	NUM
admet-794	787	2	(	(	PUNCT
admet-794	787	3	1975	1975	NUM
admet-794	787	4	)	)	PUNCT
admet-794	787	5	293	293	NUM
admet-794	787	6	-	-	SYM
admet-794	787	7	299	299	NUM
admet-794	787	8	.	.	PUNCT
admet-794	788	1	[	[	X
admet-794	788	2	89	89	NUM
admet-794	788	3	]	]	X
admet-794	788	4	s.q	s.q	PROPN
admet-794	788	5	.	.	PROPN
admet-794	788	6	henwood	henwood	PROPN
admet-794	788	7	,	,	PUNCT
admet-794	788	8	m.m	m.m	PROPN
admet-794	788	9	.	.	PROPN
admet-794	788	10	de	de	PROPN
admet-794	788	11	villiers	villiers	PROPN
admet-794	788	12	,	,	PUNCT
admet-794	788	13	w.	w.	PROPN
admet-794	788	14	liebenberg	liebenberg	PROPN
admet-794	788	15	,	,	PUNCT
admet-794	788	16	a.p	a.p	PROPN
admet-794	788	17	.	.	PROPN
admet-794	788	18	lotter	lotter	PROPN
admet-794	788	19	.	.	PUNCT
admet-794	789	1	solubility	solubility	NOUN
admet-794	789	2	and	and	CCONJ
admet-794	789	3	dissolution	dissolution	NOUN
admet-794	789	4	properties	property	NOUN
admet-794	789	5	of	of	ADP
admet-794	789	6	generic	generic	ADJ
admet-794	789	7	rifampicin	rifampicin	VERB
admet-794	789	8	raw	raw	ADJ
admet-794	789	9	materials	material	NOUN
admet-794	789	10	.	.	PUNCT
admet-794	790	1	drug	drug	PROPN
admet-794	790	2	dev	dev	PROPN
admet-794	790	3	.	.	PUNCT
admet-794	791	1	ind	ind	PROPN
admet-794	791	2	.	.	PUNCT
admet-794	792	1	pharm	pharm	PROPN
admet-794	792	2	.	.	PUNCT
admet-794	793	1	26	26	NUM
admet-794	793	2	(	(	PUNCT
admet-794	793	3	2000	2000	NUM
admet-794	793	4	)	)	PUNCT
admet-794	793	5	403	403	NUM
admet-794	793	6	-	-	SYM
admet-794	793	7	408	408	NUM
admet-794	793	8	.	.	PUNCT
admet-794	794	1	[	[	X
admet-794	794	2	90	90	NUM
admet-794	794	3	]	]	X
admet-794	794	4	t.t	t.t	PROPN
admet-794	794	5	.	.	PROPN
admet-794	794	6	mariappan	mariappan	PROPN
admet-794	794	7	,	,	PUNCT
admet-794	794	8	s.	s.	PROPN
admet-794	794	9	singh	singh	PROPN
admet-794	794	10	.	.	PUNCT
admet-794	795	1	regional	regional	ADJ
admet-794	795	2	gastrointestinal	gastrointestinal	ADJ
admet-794	795	3	permeability	permeability	NOUN
admet-794	795	4	of	of	ADP
admet-794	795	5	rifampicin	rifampicin	VERB
admet-794	795	6	and	and	CCONJ
admet-794	795	7	isoiazid	isoiazid	NOUN
admet-794	795	8	(	(	PUNCT
admet-794	795	9	alone	alone	ADJ
admet-794	795	10	and	and	CCONJ
admet-794	795	11	their	their	PRON
admet-794	795	12	combination	combination	NOUN
admet-794	795	13	)	)	PUNCT
admet-794	795	14	in	in	ADP
admet-794	795	15	the	the	DET
admet-794	795	16	rat	rat	NOUN
admet-794	795	17	.	.	PROPN
admet-794	795	18	int	int	PROPN
admet-794	795	19	.	.	PUNCT
admet-794	796	1	j.	j.	PROPN
admet-794	796	2	tuberc	tuberc	PROPN
admet-794	796	3	.	.	PUNCT
admet-794	797	1	lung	lung	PROPN
admet-794	797	2	dis	dis	PROPN
admet-794	797	3	.	.	PROPN
admet-794	798	1	7	7	NUM
admet-794	798	2	(	(	PUNCT
admet-794	798	3	2003	2003	NUM
admet-794	798	4	)	)	PUNCT
admet-794	798	5	797	797	NUM
admet-794	798	6	-	-	SYM
admet-794	798	7	803	803	NUM
admet-794	798	8	.	.	PUNCT
admet-794	799	1	[	[	X
admet-794	799	2	91	91	NUM
admet-794	799	3	]	]	PUNCT
admet-794	799	4	s.	s.	PROPN
admet-794	799	5	agrawal	agrawal	PROPN
admet-794	799	6	,	,	PUNCT
admet-794	799	7	r.	r.	PROPN
admet-794	799	8	panchagnula	panchagnula	PROPN
admet-794	799	9	.	.	PUNCT
admet-794	800	1	dissolution	dissolution	PROPN
admet-794	800	2	test	test	NOUN
admet-794	800	3	as	as	ADP
admet-794	800	4	a	a	DET
admet-794	800	5	surrogate	surrogate	NOUN
admet-794	800	6	for	for	ADP
admet-794	800	7	quality	quality	NOUN
admet-794	800	8	evaluation	evaluation	NOUN
admet-794	800	9	of	of	ADP
admet-794	800	10	rifampicin	rifampicin	NOUN
admet-794	800	11	containing	contain	VERB
admet-794	800	12	fixed	fix	VERB
admet-794	800	13	dose	dose	NOUN
admet-794	800	14	combination	combination	NOUN
admet-794	800	15	formulations	formulation	NOUN
admet-794	800	16	.	.	PUNCT
admet-794	801	1	int	int	NOUN
admet-794	801	2	.	.	PUNCT
admet-794	802	1	j.	j.	PROPN
admet-794	802	2	pharm	pharm	PROPN
admet-794	802	3	.	.	PUNCT
admet-794	803	1	287	287	NUM
admet-794	803	2	(	(	PUNCT
admet-794	803	3	2004	2004	NUM
admet-794	803	4	)	)	PUNCT
admet-794	803	5	97	97	NUM
admet-794	803	6	-	-	SYM
admet-794	803	7	112	112	NUM
admet-794	803	8	.	.	PUNCT
admet-794	804	1	[	[	X
admet-794	804	2	92	92	NUM
admet-794	804	3	]	]	X
admet-794	804	4	d.	d.	PROPN
admet-794	804	5	evans	evans	PROPN
admet-794	804	6	,	,	PUNCT
admet-794	804	7	s.	s.	PROPN
admet-794	804	8	yalkowsky	yalkowsky	PROPN
admet-794	804	9	,	,	PUNCT
admet-794	804	10	s.	s.	PROPN
admet-794	804	11	wu	wu	PROPN
admet-794	804	12	,	,	PUNCT
admet-794	804	13	d.	d.	PROPN
admet-794	804	14	pereira	pereira	PROPN
admet-794	804	15	,	,	PUNCT
admet-794	804	16	p.	p.	PROPN
admet-794	804	17	fernandes	fernandes	PROPN
admet-794	804	18	.	.	PUNCT
admet-794	805	1	overcoming	overcome	VERB
admet-794	805	2	the	the	DET
admet-794	805	3	challenges	challenge	NOUN
admet-794	805	4	of	of	ADP
admet-794	805	5	low	low	ADJ
admet-794	805	6	drug	drug	NOUN
admet-794	805	7	solubility	solubility	NOUN
admet-794	805	8	in	in	ADP
admet-794	805	9	the	the	DET
admet-794	805	10	intravenous	intravenous	ADJ
admet-794	805	11	formulation	formulation	NOUN
admet-794	805	12	of	of	ADP
admet-794	805	13	solithromycin	solithromycin	PROPN
admet-794	805	14	.	.	PUNCT
admet-794	806	1	j.	j.	PROPN
admet-794	806	2	pharm	pharm	PROPN
admet-794	806	3	.	.	PUNCT
admet-794	807	1	sci	sci	PROPN
admet-794	807	2	.	.	PROPN
admet-794	808	1	107	107	NUM
admet-794	808	2	(	(	PUNCT
admet-794	808	3	2018	2018	NUM
admet-794	808	4	)	)	PUNCT
admet-794	808	5	412	412	NUM
admet-794	808	6	-	-	SYM
admet-794	808	7	418	418	NUM
admet-794	808	8	.	.	PUNCT
admet-794	809	1	[	[	X
admet-794	809	2	93	93	NUM
admet-794	809	3	]	]	PUNCT
admet-794	809	4	m.	m.	NOUN
admet-794	809	5	j.	j.	PROPN
admet-794	809	6	o’neil	o’neil	PROPN
admet-794	809	7	,	,	PUNCT
admet-794	809	8	p.e	p.e	PROPN
admet-794	809	9	.	.	PROPN
admet-794	809	10	heckelman	heckelman	PROPN
admet-794	809	11	,	,	PUNCT
admet-794	809	12	p.h	p.h	PROPN
admet-794	809	13	.	.	PROPN
admet-794	809	14	dobbelaar	dobbelaar	PROPN
admet-794	809	15	,	,	PUNCT
admet-794	809	16	k.j	k.j	PROPN
admet-794	809	17	.	.	PROPN
admet-794	809	18	roman	roman	PROPN
admet-794	809	19	(	(	PUNCT
admet-794	809	20	eds	ed	NOUN
admet-794	809	21	.	.	PUNCT
admet-794	809	22	)	)	PUNCT
admet-794	809	23	.	.	PUNCT
admet-794	810	1	the	the	DET
admet-794	810	2	merck	merck	PROPN
admet-794	810	3	index	index	PROPN
admet-794	810	4	:	:	PUNCT
admet-794	810	5	an	an	DET
admet-794	810	6	encyclopedia	encyclopedia	NOUN
admet-794	810	7	of	of	ADP
admet-794	810	8	chemicals	chemical	NOUN
admet-794	810	9	,	,	PUNCT
admet-794	810	10	drugs	drug	NOUN
admet-794	810	11	,	,	PUNCT
admet-794	810	12	and	and	CCONJ
admet-794	810	13	biologicals	biological	NOUN
admet-794	810	14	,	,	PUNCT
admet-794	810	15	the	the	DET
admet-794	810	16	royal	royal	ADJ
admet-794	810	17	society	society	NOUN
admet-794	810	18	of	of	ADP
admet-794	810	19	chemistry	chemistry	NOUN
admet-794	810	20	,	,	PUNCT
admet-794	810	21	15th	15th	ADJ
admet-794	810	22	ed	ed	NOUN
admet-794	810	23	,	,	PUNCT
admet-794	810	24	2013	2013	NUM
admet-794	810	25	.	.	PUNCT
admet-794	811	1	[	[	X
admet-794	811	2	94	94	X
admet-794	811	3	]	]	X
admet-794	811	4	h.	h.	PROPN
admet-794	811	5	arima	arima	PROPN
admet-794	811	6	,	,	PUNCT
admet-794	811	7	k.	k.	PROPN
admet-794	811	8	yunomae	yunomae	PROPN
admet-794	811	9	,	,	PUNCT
admet-794	811	10	k.	k.	PROPN
admet-794	811	11	miyake	miyake	PROPN
admet-794	811	12	,	,	PUNCT
admet-794	811	13	k.	k.	PROPN
admet-794	811	14	uekama	uekama	PROPN
admet-794	811	15	.	.	PUNCT
admet-794	812	1	comparative	comparative	ADJ
admet-794	812	2	studies	study	NOUN
admet-794	812	3	of	of	ADP
admet-794	812	4	the	the	DET
admet-794	812	5	enhancing	enhance	VERB
admet-794	812	6	effects	effect	NOUN
admet-794	812	7	of	of	ADP
admet-794	812	8	cyclodextrins	cyclodextrin	NOUN
admet-794	812	9	on	on	ADP
admet-794	812	10	the	the	DET
admet-794	812	11	solubility	solubility	NOUN
admet-794	812	12	and	and	CCONJ
admet-794	812	13	oral	oral	ADJ
admet-794	812	14	bioavailability	bioavailability	NOUN
admet-794	812	15	of	of	ADP
admet-794	812	16	tacrolimus	tacrolimus	NOUN
admet-794	812	17	in	in	ADP
admet-794	812	18	rats	rat	NOUN
admet-794	812	19	.	.	PUNCT
admet-794	813	1	j.	j.	PROPN
admet-794	813	2	pharm	pharm	PROPN
admet-794	813	3	.	.	PUNCT
admet-794	814	1	sci	sci	PROPN
admet-794	814	2	.	.	PROPN
admet-794	815	1	90	90	NUM
admet-794	815	2	(	(	PUNCT
admet-794	815	3	2001	2001	NUM
admet-794	815	4	)	)	PUNCT
admet-794	815	5	690	690	NUM
admet-794	815	6	-	-	SYM
admet-794	815	7	701	701	NUM
admet-794	815	8	.	.	PUNCT
admet-794	816	1	[	[	X
admet-794	816	2	95	95	NUM
admet-794	816	3	]	]	X
admet-794	816	4	l.-c	l.-c	NOUN
admet-794	816	5	.	.	PUNCT
admet-794	817	1	dong	dong	PROPN
admet-794	817	2	,	,	PUNCT
admet-794	817	3	k.a.u	k.a.u	PROPN
admet-794	817	4	.	.	PUNCT
admet-794	818	1	co	co	PROPN
admet-794	818	2	,	,	PUNCT
admet-794	818	3	s.	s.	PROPN
admet-794	818	4	li	li	PROPN
admet-794	818	5	,	,	PUNCT
admet-794	818	6	c.	c.	PROPN
admet-794	818	7	pollock	pollock	NOUN
admet-794	818	8	-	-	PUNCT
admet-794	818	9	dove	dove	NOUN
admet-794	818	10	.	.	PUNCT
admet-794	819	1	stabilized	stabilize	VERB
admet-794	819	2	solubility	solubility	NOUN
admet-794	819	3	-	-	PUNCT
admet-794	819	4	enhanced	enhance	VERB
admet-794	819	5	formulations	formulation	NOUN
admet-794	819	6	for	for	ADP
admet-794	819	7	oral	oral	ADJ
admet-794	819	8	delivery	delivery	NOUN
admet-794	819	9	.	.	PUNCT
admet-794	820	1	pct	pct	NOUN
admet-794	820	2	application	application	NOUN
admet-794	820	3	wo	will	AUX
admet-794	820	4	2010/111397	2010/111397	NUM
admet-794	820	5	a1	a1	NOUN
admet-794	820	6	(	(	PUNCT
admet-794	820	7	2010	2010	NUM
admet-794	820	8	)	)	PUNCT
admet-794	820	9	.	.	PUNCT
admet-794	821	1	[	[	X
admet-794	821	2	96	96	NUM
admet-794	821	3	]	]	X
admet-794	821	4	e.v	e.v	PROPN
admet-794	821	5	.	.	PROPN
admet-794	821	6	persson	persson	PROPN
admet-794	821	7	,	,	PUNCT
admet-794	821	8	a.-s	a.-s	PROPN
admet-794	821	9	.	.	PUNCT
admet-794	822	1	gustafsson	gustafsson	PROPN
admet-794	822	2	,	,	PUNCT
admet-794	822	3	a.s	a.s	PROPN
admet-794	822	4	.	.	PROPN
admet-794	822	5	carlsson	carlsson	PROPN
admet-794	822	6	,	,	PUNCT
admet-794	822	7	r.g	r.g	PROPN
admet-794	822	8	.	.	PROPN
admet-794	822	9	nilsson	nilsson	PROPN
admet-794	822	10	,	,	PUNCT
admet-794	822	11	l.	l.	PROPN
admet-794	822	12	knutson	knutson	PROPN
admet-794	822	13	,	,	PUNCT
admet-794	822	14	p.	p.	PROPN
admet-794	822	15	forsell	forsell	PROPN
admet-794	822	16	,	,	PUNCT
admet-794	822	17	g.	g.	PROPN
admet-794	822	18	hanisch	hanisch	PROPN
admet-794	822	19	,	,	PUNCT
admet-794	822	20	h.	h.	PROPN
admet-794	822	21	lennernäs	lennernäs	PROPN
admet-794	822	22	,	,	PUNCT
admet-794	822	23	b.	b.	PROPN
admet-794	822	24	abrahamsson	abrahamsson	PROPN
admet-794	822	25	.	.	PUNCT
admet-794	823	1	the	the	DET
admet-794	823	2	effects	effect	NOUN
admet-794	823	3	of	of	ADP
admet-794	823	4	food	food	NOUN
admet-794	823	5	on	on	ADP
admet-794	823	6	the	the	DET
admet-794	823	7	dissolution	dissolution	NOUN
admet-794	823	8	of	of	ADP
admet-794	823	9	poorly	poorly	ADV
admet-794	823	10	soluble	soluble	ADJ
admet-794	823	11	drugs	drug	NOUN
admet-794	823	12	in	in	ADP
admet-794	823	13	human	human	NOUN
admet-794	823	14	and	and	CCONJ
admet-794	823	15	in	in	ADP
admet-794	823	16	model	model	NOUN
admet-794	823	17	small	small	ADJ
admet-794	823	18	intestinal	intestinal	ADJ
admet-794	823	19	fluids	fluid	NOUN
admet-794	823	20	.	.	PUNCT
admet-794	824	1	pharm	pharm	NOUN
admet-794	824	2	.	.	PUNCT
admet-794	825	1	res	re	NOUN
admet-794	825	2	.	.	PUNCT
admet-794	826	1	22	22	NUM
admet-794	826	2	(	(	PUNCT
admet-794	826	3	2005	2005	NUM
admet-794	826	4	)	)	PUNCT
admet-794	826	5	2141	2141	NUM
admet-794	826	6	-	-	SYM
admet-794	826	7	2151	2151	NUM
admet-794	826	8	.	.	PUNCT
admet-794	827	1	[	[	X
admet-794	827	2	97	97	NUM
admet-794	827	3	]	]	X
admet-794	827	4	p.j	p.j	PROPN
admet-794	827	5	.	.	PROPN
admet-794	827	6	faustino	faustino	PROPN
admet-794	827	7	.	.	PUNCT
admet-794	828	1	report	report	NOUN
admet-794	828	2	to	to	ADP
admet-794	828	3	office	office	NOUN
admet-794	828	4	of	of	ADP
admet-794	828	5	generic	generic	ADJ
admet-794	828	6	drugs	drug	NOUN
admet-794	828	7	.	.	PUNCT
admet-794	829	1	vancomycin	vancomycin	PROPN
admet-794	829	2	solubility	solubility	PROPN
admet-794	829	3	study	study	NOUN
admet-794	829	4	.	.	PUNCT
admet-794	830	1	division	division	NOUN
admet-794	830	2	of	of	ADP
admet-794	830	3	product	product	NOUN
admet-794	830	4	quality	quality	NOUN
admet-794	830	5	research	research	NOUN
admet-794	830	6	office	office	NOUN
admet-794	830	7	of	of	ADP
admet-794	830	8	testing	testing	NOUN
admet-794	830	9	and	and	CCONJ
admet-794	830	10	research	research	NOUN
admet-794	830	11	center	center	NOUN
admet-794	830	12	for	for	ADP
admet-794	830	13	drug	drug	NOUN
admet-794	830	14	evaluation	evaluation	NOUN
admet-794	830	15	and	and	CCONJ
admet-794	830	16	research	research	NOUN
admet-794	830	17	.	.	PUNCT
admet-794	831	1	food	food	NOUN
admet-794	831	2	and	and	CCONJ
admet-794	831	3	drug	drug	NOUN
admet-794	831	4	administration	administration	NOUN
admet-794	831	5	.	.	PUNCT
admet-794	832	1	5	5	NUM
admet-794	832	2	feb	feb	NOUN
admet-794	832	3	2008	2008	NUM
admet-794	832	4	.	.	PUNCT
admet-794	833	1	https://wayback.archive-it.org/7993/20170403212949/https:/www.fda.gov/ucm/groups/fdagov-public/@fdagov-drugs-en/documents/document/ucm082291.pdf	https://wayback.archive-it.org/7993/20170403212949/https:/www.fda.gov/ucm/groups/fdagov-public/@fdagov-drugs-en/documents/document/ucm082291.pdf	PUNCT
admet-794	833	2	[	[	X
admet-794	833	3	98	98	NUM
admet-794	833	4	]	]	X
admet-794	833	5	l.d	l.d	PROPN
admet-794	833	6	.	.	PROPN
admet-794	833	7	hughes	hughes	PROPN
admet-794	833	8	,	,	PUNCT
admet-794	833	9	d.s	d.s	PROPN
admet-794	833	10	.	.	PROPN
admet-794	833	11	palmer	palmer	PROPN
admet-794	833	12	,	,	PUNCT
admet-794	833	13	f.	f.	PROPN
admet-794	833	14	nigsch	nigsch	PROPN
admet-794	833	15	,	,	PUNCT
admet-794	833	16	j.b.o	j.b.o	PROPN
admet-794	833	17	.	.	PUNCT
admet-794	833	18	mitchell	mitchell	PROPN
admet-794	833	19	.	.	PUNCT
admet-794	834	1	why	why	SCONJ
admet-794	834	2	are	be	AUX
admet-794	834	3	some	some	DET
admet-794	834	4	properties	property	NOUN
admet-794	834	5	more	more	ADV
admet-794	834	6	difficult	difficult	ADJ
admet-794	834	7	to	to	PART
admet-794	834	8	predict	predict	VERB
admet-794	834	9	than	than	ADP
admet-794	834	10	others	other	NOUN
admet-794	834	11	?	?	PUNCT
admet-794	835	1	a	a	DET
admet-794	835	2	study	study	NOUN
admet-794	835	3	of	of	ADP
admet-794	835	4	qspr	qspr	NOUN
admet-794	835	5	models	model	NOUN
admet-794	835	6	of	of	ADP
admet-794	835	7	solubility	solubility	NOUN
admet-794	835	8	,	,	PUNCT
admet-794	835	9	melting	melting	NOUN
admet-794	835	10	point	point	NOUN
admet-794	835	11	,	,	PUNCT
admet-794	835	12	and	and	CCONJ
admet-794	835	13	log	log	VERB
admet-794	835	14	p.	p.	PROPN
admet-794	835	15	j.	j.	PROPN
admet-794	835	16	chem	chem	PROPN
admet-794	835	17	.	.	PUNCT
admet-794	836	1	inf	inf	PROPN
admet-794	836	2	.	.	PUNCT
admet-794	836	3	model	model	PROPN
admet-794	836	4	48	48	NUM
admet-794	836	5	(	(	PUNCT
admet-794	836	6	2008	2008	NUM
admet-794	836	7	)	)	PUNCT
admet-794	836	8	220	220	NUM
admet-794	836	9	-	-	SYM
admet-794	836	10	232	232	NUM
admet-794	836	11	.	.	PUNCT
admet-794	837	1	http://dx.doi.org/10.5599/admet.794	http://dx.doi.org/10.5599/admet.794	ADJ
admet-794	837	2	https://wayback.archive-it.org/7993/20170403212949/https:/%1fwww.fda.gov%1f%1f%1f/ucm/groups/fdagov-public/@fdagov-drugs-en/documents/document/ucm082291.pdf	https://wayback.archive-it.org/7993/20170403212949/https:/%1fwww.fda.gov%1f%1f%1f/ucm/groups/fdagov-public/@fdagov-drugs-en/documents/document/ucm082291.pdf	PROPN
admet-794	837	3	https://wayback.archive-it.org/7993/20170403212949/https:/%1fwww.fda.gov%1f%1f%1f/ucm/groups/fdagov-public/@fdagov-drugs-en/documents/document/ucm082291.pdf	https://wayback.archive-it.org/7993/20170403212949/https:/%1fwww.fda.gov%1f%1f%1f/ucm/groups/fdagov-public/@fdagov-drugs-en/documents/document/ucm082291.pdf	PROPN
admet-794	837	4	alex	alex	PROPN
admet-794	837	5	avdeef	avdeef	PROPN
admet-794	837	6	and	and	CCONJ
admet-794	837	7	manfred	manfred	PROPN
admet-794	837	8	kansy	kansy	PROPN
admet-794	837	9	admet	admet	PROPN
admet-794	837	10	&	&	CCONJ
admet-794	837	11	dmpk	dmpk	PROPN
admet-794	837	12	8(3	8(3	NUM
admet-794	837	13	)	)	PUNCT
admet-794	837	14	(	(	PUNCT
admet-794	837	15	2020	2020	NUM
admet-794	837	16	)	)	PUNCT
admet-794	837	17	180	180	NUM
admet-794	837	18	-	-	SYM
admet-794	837	19	206	206	NUM
admet-794	837	20	202	202	NUM
admet-794	838	1	[	[	X
admet-794	838	2	99	99	NUM
admet-794	838	3	]	]	X
admet-794	838	4	j.c	j.c	PROPN
admet-794	838	5	.	.	PROPN
admet-794	838	6	dearden	dearden	PROPN
admet-794	838	7	.	.	PUNCT
admet-794	839	1	the	the	DET
admet-794	839	2	use	use	NOUN
admet-794	839	3	of	of	ADP
admet-794	839	4	topological	topological	ADJ
admet-794	839	5	indices	index	NOUN
admet-794	839	6	in	in	ADP
admet-794	839	7	qsar	qsar	NOUN
admet-794	839	8	and	and	CCONJ
admet-794	839	9	qspr	qspr	NOUN
admet-794	839	10	modeling	modeling	NOUN
admet-794	839	11	.	.	PUNCT
admet-794	840	1	in	in	ADP
admet-794	840	2	:	:	PUNCT
admet-794	840	3	k.	k.	PROPN
admet-794	840	4	roy	roy	PROPN
admet-794	840	5	(	(	PUNCT
admet-794	840	6	ed	ed	NOUN
admet-794	840	7	.	.	PUNCT
admet-794	840	8	)	)	PUNCT
admet-794	840	9	advances	advance	NOUN
admet-794	840	10	in	in	ADP
admet-794	840	11	qsar	qsar	NOUN
admet-794	840	12	modeling	modeling	NOUN
admet-794	840	13	.	.	PUNCT
admet-794	841	1	challenges	challenge	NOUN
admet-794	841	2	and	and	CCONJ
admet-794	841	3	advances	advance	NOUN
admet-794	841	4	in	in	ADP
admet-794	841	5	computational	computational	ADJ
admet-794	841	6	chemistry	chemistry	NOUN
admet-794	841	7	and	and	CCONJ
admet-794	841	8	physics	physics	NOUN
admet-794	841	9	,	,	PUNCT
admet-794	841	10	vol	vol	NOUN
admet-794	841	11	24	24	NUM
admet-794	841	12	.	.	PUNCT
admet-794	841	13	springer	springer	PROPN
admet-794	841	14	,	,	PUNCT
admet-794	841	15	cambridge	cambridge	PROPN
admet-794	841	16	,	,	PUNCT
admet-794	841	17	2017	2017	NUM
admet-794	841	18	,	,	PUNCT
admet-794	841	19	pp	pp	ADJ
admet-794	841	20	.	.	PUNCT
admet-794	842	1	57	57	NUM
admet-794	842	2	-	-	SYM
admet-794	842	3	88	88	NUM
admet-794	842	4	.	.	PUNCT
admet-794	843	1	[	[	X
admet-794	843	2	100	100	NUM
admet-794	843	3	]	]	X
admet-794	843	4	food	food	NOUN
admet-794	843	5	and	and	CCONJ
admet-794	843	6	drug	drug	PROPN
admet-794	843	7	administration	administration	PROPN
admet-794	843	8	(	(	PUNCT
admet-794	843	9	usa	usa	PROPN
admet-794	843	10	):	):	PUNCT
admet-794	843	11	givosiran(givlaari	givosiran(givlaari	PROPN
admet-794	843	12	)	)	PUNCT
admet-794	843	13	,	,	PUNCT
admet-794	843	14	alnylam	alnylam	PROPN
admet-794	843	15	pharmaceutical	pharmaceutical	PROPN
admet-794	843	16	inc	inc	PROPN
admet-794	843	17	.	.	PROPN
admet-794	843	18	nda	nda	PROPN
admet-794	843	19	212194orig1s000	212194orig1s000	NUM
admet-794	843	20	;	;	PUNCT
admet-794	843	21	https://www.accessdata.fda.gov/drugsatfda_docs/nda/2019/212194orig1s000chemr.pdf	https://www.accessdata.fda.gov/drugsatfda_docs/nda/2019/212194orig1s000chemr.pdf	X
admet-794	843	22	.	.	PUNCT
admet-794	844	1	[	[	X
admet-794	844	2	101	101	NUM
admet-794	844	3	]	]	PUNCT
admet-794	844	4	food	food	NOUN
admet-794	844	5	and	and	CCONJ
admet-794	844	6	drug	drug	PROPN
admet-794	844	7	administration	administration	PROPN
admet-794	844	8	(	(	PUNCT
admet-794	844	9	usa	usa	PROPN
admet-794	844	10	):	):	PUNCT
admet-794	844	11	tenapanor(ibsrela	tenapanor(ibsrela	PROPN
admet-794	844	12	)	)	PUNCT
admet-794	844	13	,	,	PUNCT
admet-794	844	14	ardelyx	ardelyx	PROPN
admet-794	844	15	,	,	PUNCT
admet-794	844	16	inc	inc	PROPN
admet-794	844	17	.	.	PROPN
admet-794	844	18	nda	nda	PROPN
admet-794	844	19	211801orig1s000	211801orig1s000	PROPN
admet-794	844	20	;	;	PUNCT
admet-794	844	21	https://www.accessdata.fda.gov/drugsatfda_docs/nda/2019/211801orig1s000chemr.pdf	https://www.accessdata.fda.gov/drugsatfda_docs/nda/2019/211801orig1s000chemr.pdf	PROPN
admet-794	844	22	.	.	PUNCT
admet-794	845	1	[	[	X
admet-794	845	2	102	102	NUM
admet-794	845	3	]	]	PUNCT
admet-794	845	4	m.	m.	NOUN
admet-794	845	5	schäfer	schäfer	NOUN
admet-794	845	6	,	,	PUNCT
admet-794	845	7	t.r	t.r	PROPN
admet-794	845	8	.	.	PROPN
admet-794	845	9	schneider	schneider	PROPN
admet-794	845	10	,	,	PUNCT
admet-794	845	11	g.m	g.m	PROPN
admet-794	845	12	.	.	PROPN
admet-794	845	13	sheldrick	sheldrick	PROPN
admet-794	845	14	.	.	PUNCT
admet-794	846	1	crystal	crystal	NOUN
admet-794	846	2	structure	structure	NOUN
admet-794	846	3	of	of	ADP
admet-794	846	4	vancomycin	vancomycin	PROPN
admet-794	846	5	.	.	PUNCT
admet-794	847	1	structure	structure	NOUN
admet-794	847	2	4	4	NUM
admet-794	847	3	(	(	PUNCT
admet-794	847	4	1996	1996	NUM
admet-794	847	5	)	)	PUNCT
admet-794	847	6	15091515	15091515	NUM
admet-794	847	7	.	.	PUNCT
admet-794	848	1	[	[	X
admet-794	848	2	103	103	NUM
admet-794	848	3	]	]	X
admet-794	848	4	c.	c.	PROPN
admet-794	848	5	ahlneck	ahlneck	PROPN
admet-794	848	6	,	,	PUNCT
admet-794	848	7	g.	g.	PROPN
admet-794	848	8	zografi	zografi	PROPN
admet-794	848	9	.	.	PUNCT
admet-794	849	1	the	the	DET
admet-794	849	2	molecular	molecular	ADJ
admet-794	849	3	basis	basis	NOUN
admet-794	849	4	of	of	ADP
admet-794	849	5	moisture	moisture	NOUN
admet-794	849	6	effects	effect	NOUN
admet-794	849	7	on	on	ADP
admet-794	849	8	the	the	DET
admet-794	849	9	physical	physical	ADJ
admet-794	849	10	and	and	CCONJ
admet-794	849	11	chemical	chemical	NOUN
admet-794	849	12	stability	stability	NOUN
admet-794	849	13	of	of	ADP
admet-794	849	14	drugs	drug	NOUN
admet-794	849	15	in	in	ADP
admet-794	849	16	the	the	DET
admet-794	849	17	solid	solid	ADJ
admet-794	849	18	state	state	NOUN
admet-794	849	19	.	.	PUNCT
admet-794	850	1	int	int	NOUN
admet-794	850	2	.	.	PUNCT
admet-794	851	1	j.	j.	PROPN
admet-794	851	2	pharm	pharm	PROPN
admet-794	851	3	.	.	PUNCT
admet-794	852	1	62	62	NUM
admet-794	852	2	(	(	PUNCT
admet-794	852	3	1990	1990	NUM
admet-794	852	4	)	)	PUNCT
admet-794	852	5	87	87	NUM
admet-794	852	6	-	-	SYM
admet-794	852	7	95	95	NUM
admet-794	852	8	.	.	PUNCT
admet-794	853	1	[	[	X
admet-794	853	2	104	104	X
admet-794	853	3	]	]	X
admet-794	853	4	hancock	hancock	PROPN
admet-794	853	5	bc	bc	PROPN
admet-794	853	6	,	,	PUNCT
admet-794	853	7	zografi	zografi	PROPN
admet-794	853	8	g.	g.	PROPN
admet-794	853	9	the	the	DET
admet-794	853	10	relationship	relationship	NOUN
admet-794	853	11	between	between	ADP
admet-794	853	12	the	the	DET
admet-794	853	13	glass	glass	NOUN
admet-794	853	14	transition	transition	NOUN
admet-794	853	15	temperature	temperature	NOUN
admet-794	853	16	and	and	CCONJ
admet-794	853	17	the	the	DET
admet-794	853	18	water	water	NOUN
admet-794	853	19	content	content	NOUN
admet-794	853	20	of	of	ADP
admet-794	853	21	amorphous	amorphous	ADJ
admet-794	853	22	pharmaceutical	pharmaceutical	ADJ
admet-794	853	23	solids	solid	NOUN
admet-794	853	24	.	.	PUNCT
admet-794	854	1	pharm	pharm	NOUN
admet-794	854	2	.	.	PUNCT
admet-794	855	1	res	re	NOUN
admet-794	855	2	.	.	PROPN
admet-794	856	1	11	11	NUM
admet-794	856	2	(	(	PUNCT
admet-794	856	3	1994	1994	NUM
admet-794	856	4	)	)	PUNCT
admet-794	856	5	471	471	NUM
admet-794	856	6	-	-	SYM
admet-794	856	7	477	477	NUM
admet-794	856	8	.	.	PUNCT
admet-794	857	1	[	[	X
admet-794	857	2	105	105	NUM
admet-794	857	3	]	]	X
admet-794	857	4	a.w	a.w	PROPN
admet-794	857	5	.	.	PROPN
admet-794	857	6	newman	newman	PROPN
admet-794	857	7	,	,	PUNCT
admet-794	857	8	s.m	s.m	PROPN
admet-794	857	9	.	.	PROPN
admet-794	857	10	reutzel	reutzel	NOUN
admet-794	857	11	-	-	PUNCT
admet-794	857	12	edens	eden	NOUN
admet-794	857	13	,	,	PUNCT
admet-794	857	14	g.	g.	PROPN
admet-794	857	15	zografi	zografi	PROPN
admet-794	857	16	.	.	PUNCT
admet-794	858	1	characterization	characterization	NOUN
admet-794	858	2	of	of	ADP
admet-794	858	3	the	the	DET
admet-794	858	4	“	"	PUNCT
admet-794	858	5	hygroscopic	hygroscopic	NOUN
admet-794	858	6	”	"	PUNCT
admet-794	858	7	properties	property	NOUN
admet-794	858	8	of	of	ADP
admet-794	858	9	active	active	ADJ
admet-794	858	10	pharmaceutical	pharmaceutical	ADJ
admet-794	858	11	ingredients	ingredient	NOUN
admet-794	858	12	.	.	PUNCT
admet-794	859	1	j.	j.	PROPN
admet-794	859	2	pharm	pharm	PROPN
admet-794	859	3	.	.	PUNCT
admet-794	860	1	sci	sci	PROPN
admet-794	860	2	.	.	PROPN
admet-794	860	3	97	97	NUM
admet-794	860	4	(	(	PUNCT
admet-794	860	5	2007	2007	NUM
admet-794	860	6	)	)	PUNCT
admet-794	860	7	1047	1047	NUM
admet-794	860	8	-	-	SYM
admet-794	860	9	1059	1059	NUM
admet-794	860	10	.	.	PUNCT
admet-794	861	1	[	[	X
admet-794	861	2	106	106	NUM
admet-794	861	3	]	]	X
admet-794	861	4	a.	a.	PROPN
admet-794	861	5	newman	newman	PROPN
admet-794	861	6	,	,	PUNCT
admet-794	861	7	g.	g.	PROPN
admet-794	861	8	zografi	zografi	PROPN
admet-794	861	9	.	.	PUNCT
admet-794	862	1	commentary	commentary	NOUN
admet-794	862	2	:	:	PUNCT
admet-794	862	3	an	an	DET
admet-794	862	4	examination	examination	NOUN
admet-794	862	5	of	of	ADP
admet-794	862	6	water	water	NOUN
admet-794	862	7	vapor	vapor	NOUN
admet-794	862	8	sorption	sorption	NOUN
admet-794	862	9	by	by	ADP
admet-794	862	10	multicomponent	multicomponent	NOUN
admet-794	862	11	crystalline	crystalline	NOUN
admet-794	862	12	and	and	CCONJ
admet-794	862	13	amorphous	amorphous	ADJ
admet-794	862	14	solids	solid	NOUN
admet-794	862	15	and	and	CCONJ
admet-794	862	16	its	its	PRON
admet-794	862	17	effects	effect	NOUN
admet-794	862	18	on	on	ADP
admet-794	862	19	their	their	PRON
admet-794	862	20	solid	solid	ADJ
admet-794	862	21	-	-	PUNCT
admet-794	862	22	state	state	NOUN
admet-794	862	23	properties	property	NOUN
admet-794	862	24	.	.	PUNCT
admet-794	863	1	j.	j.	PROPN
admet-794	863	2	pharm	pharm	PROPN
admet-794	863	3	.	.	PUNCT
admet-794	864	1	sci	sci	PROPN
admet-794	864	2	.	.	PROPN
admet-794	865	1	108	108	NUM
admet-794	865	2	(	(	PUNCT
admet-794	865	3	2019	2019	NUM
admet-794	865	4	)	)	PUNCT
admet-794	865	5	1061	1061	NUM
admet-794	865	6	-	-	SYM
admet-794	865	7	1080	1080	NUM
admet-794	865	8	.	.	PUNCT
admet-794	866	1	[	[	X
admet-794	866	2	107	107	NUM
admet-794	866	3	]	]	PUNCT
admet-794	866	4	a.	a.	NOUN
admet-794	866	5	avdeef	avdeef	PROPN
admet-794	866	6	.	.	PUNCT
admet-794	867	1	solubility	solubility	NOUN
admet-794	867	2	temperature	temperature	NOUN
admet-794	867	3	dependence	dependence	NOUN
admet-794	867	4	predicted	predict	VERB
admet-794	867	5	from	from	ADP
admet-794	867	6	2d	2d	NUM
admet-794	867	7	structure	structure	NOUN
admet-794	867	8	.	.	PUNCT
admet-794	868	1	admet	admet	PROPN
admet-794	868	2	&	&	CCONJ
admet-794	868	3	dmpk	dmpk	PROPN
admet-794	868	4	3	3	NUM
admet-794	868	5	(	(	PUNCT
admet-794	868	6	2015	2015	NUM
admet-794	868	7	)	)	PUNCT
admet-794	868	8	298	298	NUM
admet-794	868	9	-	-	SYM
admet-794	868	10	344	344	NUM
admet-794	868	11	.	.	PUNCT
admet-794	869	1	[	[	X
admet-794	869	2	108	108	NUM
admet-794	869	3	]	]	X
admet-794	869	4	a.j	a.j	PROPN
admet-794	869	5	.	.	PROPN
admet-794	869	6	hopfinger	hopfinger	PROPN
admet-794	869	7	,	,	PUNCT
admet-794	869	8	e.x	e.x	PROPN
admet-794	869	9	.	.	PROPN
admet-794	869	10	esposito	esposito	PROPN
admet-794	869	11	,	,	PUNCT
admet-794	869	12	a.	a.	PROPN
admet-794	869	13	llinàs	llinàs	PROPN
admet-794	869	14	,	,	PUNCT
admet-794	869	15	r.c	r.c	PROPN
admet-794	869	16	.	.	PROPN
admet-794	869	17	glen	glen	PROPN
admet-794	869	18	,	,	PUNCT
admet-794	869	19	j.m	j.m	PROPN
admet-794	869	20	.	.	PROPN
admet-794	869	21	goodman	goodman	PROPN
admet-794	869	22	.	.	PUNCT
admet-794	870	1	findings	finding	NOUN
admet-794	870	2	of	of	ADP
admet-794	870	3	the	the	DET
admet-794	870	4	challenge	challenge	NOUN
admet-794	870	5	to	to	PART
admet-794	870	6	predict	predict	VERB
admet-794	870	7	aqueous	aqueous	ADJ
admet-794	870	8	solubility	solubility	NOUN
admet-794	870	9	.	.	PUNCT
admet-794	871	1	j.	j.	PROPN
admet-794	871	2	chem	chem	PROPN
admet-794	871	3	.	.	PUNCT
admet-794	872	1	inf	inf	PROPN
admet-794	872	2	.	.	PROPN
admet-794	872	3	model	model	PROPN
admet-794	872	4	.	.	PUNCT
admet-794	873	1	49	49	NUM
admet-794	873	2	(	(	PUNCT
admet-794	873	3	2009	2009	NUM
admet-794	873	4	)	)	PUNCT
admet-794	873	5	1	1	NUM
admet-794	873	6	-	-	SYM
admet-794	873	7	5	5	NUM
admet-794	873	8	.	.	PUNCT
admet-794	874	1	[	[	X
admet-794	874	2	109	109	NUM
admet-794	874	3	]	]	PUNCT
admet-794	874	4	p.	p.	NOUN
admet-794	874	5	labute	labute	NOUN
admet-794	874	6	.	.	PUNCT
admet-794	875	1	a	a	DET
admet-794	875	2	widely	widely	ADV
admet-794	875	3	applicable	applicable	ADJ
admet-794	875	4	set	set	NOUN
admet-794	875	5	of	of	ADP
admet-794	875	6	descriptors	descriptor	NOUN
admet-794	875	7	.	.	PUNCT
admet-794	876	1	j.	j.	PROPN
admet-794	876	2	molec	molec	PROPN
admet-794	876	3	.	.	PUNCT
admet-794	877	1	graph	graph	PROPN
admet-794	877	2	.	.	PUNCT
admet-794	877	3	model	model	NOUN
admet-794	877	4	.	.	PUNCT
admet-794	878	1	18	18	NUM
admet-794	878	2	(	(	PUNCT
admet-794	878	3	2000	2000	NUM
admet-794	878	4	)	)	PUNCT
admet-794	878	5	464	464	NUM
admet-794	878	6	-	-	SYM
admet-794	878	7	477	477	NUM
admet-794	878	8	.	.	PUNCT
admet-794	879	1	[	[	X
admet-794	879	2	110	110	NUM
admet-794	879	3	]	]	X
admet-794	879	4	s.a	s.a	PROPN
admet-794	879	5	.	.	PROPN
admet-794	879	6	wildman	wildman	PROPN
admet-794	879	7	,	,	PUNCT
admet-794	879	8	g.m	g.m	PROPN
admet-794	879	9	.	.	PROPN
admet-794	879	10	crippen	crippen	PROPN
admet-794	879	11	.	.	PUNCT
admet-794	880	1	prediction	prediction	NOUN
admet-794	880	2	of	of	ADP
admet-794	880	3	physicochemical	physicochemical	ADJ
admet-794	880	4	parameters	parameter	NOUN
admet-794	880	5	by	by	ADP
admet-794	880	6	atomic	atomic	ADJ
admet-794	880	7	contributions	contribution	NOUN
admet-794	880	8	.	.	PUNCT
admet-794	881	1	j.	j.	PROPN
admet-794	881	2	chem	chem	PROPN
admet-794	881	3	.	.	PUNCT
admet-794	882	1	inf	inf	PROPN
admet-794	882	2	.	.	PUNCT
admet-794	882	3	comput	comput	PROPN
admet-794	882	4	.	.	PUNCT
admet-794	883	1	sci	sci	PROPN
admet-794	883	2	.	.	PROPN
admet-794	884	1	39	39	NUM
admet-794	884	2	(	(	PUNCT
admet-794	884	3	1999	1999	NUM
admet-794	884	4	)	)	PUNCT
admet-794	884	5	868	868	NUM
admet-794	884	6	-	-	SYM
admet-794	884	7	873	873	NUM
admet-794	884	8	.	.	PUNCT
admet-794	885	1	[	[	X
admet-794	885	2	111	111	NUM
admet-794	885	3	]	]	PUNCT
admet-794	885	4	j.	j.	PROPN
admet-794	885	5	gasteiger	gasteiger	PROPN
admet-794	885	6	,	,	PUNCT
admet-794	885	7	m.	m.	NOUN
admet-794	885	8	marsali	marsali	PROPN
admet-794	885	9	.	.	PUNCT
admet-794	885	10	iterative	iterative	ADJ
admet-794	885	11	partial	partial	ADJ
admet-794	885	12	equalization	equalization	NOUN
admet-794	885	13	of	of	ADP
admet-794	885	14	orbital	orbital	ADJ
admet-794	885	15	electronegativity	electronegativity	NOUN
admet-794	885	16	a	a	DET
admet-794	885	17	rapid	rapid	ADJ
admet-794	885	18	access	access	NOUN
admet-794	885	19	to	to	ADP
admet-794	885	20	atomic	atomic	ADJ
admet-794	885	21	charges	charge	NOUN
admet-794	885	22	.	.	PUNCT
admet-794	886	1	tetrahedron	tetrahedron	NOUN
admet-794	886	2	36	36	NUM
admet-794	886	3	(	(	PUNCT
admet-794	886	4	1980	1980	NUM
admet-794	886	5	)	)	PUNCT
admet-794	886	6	3219	3219	NUM
admet-794	886	7	-	-	SYM
admet-794	886	8	3228	3228	NUM
admet-794	886	9	.	.	PUNCT
admet-794	887	1	[	[	X
admet-794	887	2	112	112	NUM
admet-794	887	3	]	]	X
admet-794	887	4	s.h	s.h	PROPN
admet-794	887	5	.	.	PROPN
admet-794	887	6	bertz	bertz	PROPN
admet-794	887	7	.	.	PUNCT
admet-794	888	1	the	the	DET
admet-794	888	2	first	first	ADJ
admet-794	888	3	general	general	ADJ
admet-794	888	4	index	index	NOUN
admet-794	888	5	of	of	ADP
admet-794	888	6	molecular	molecular	ADJ
admet-794	888	7	complexity	complexity	NOUN
admet-794	888	8	.	.	PUNCT
admet-794	889	1	j.	j.	PROPN
admet-794	889	2	am	am	PROPN
admet-794	889	3	.	.	PUNCT
admet-794	890	1	chem	chem	NOUN
admet-794	890	2	.	.	PUNCT
admet-794	891	1	soc	soc	PROPN
admet-794	891	2	.	.	PUNCT
admet-794	892	1	103	103	NUM
admet-794	892	2	(	(	PUNCT
admet-794	892	3	1981	1981	NUM
admet-794	892	4	)	)	PUNCT
admet-794	892	5	3599	3599	NUM
admet-794	892	6	-	-	SYM
admet-794	892	7	3601	3601	NUM
admet-794	892	8	.	.	PUNCT
admet-794	893	1	[	[	X
admet-794	893	2	113	113	NUM
admet-794	893	3	]	]	X
admet-794	893	4	d.	d.	PROPN
admet-794	893	5	bonchev	bonchev	PROPN
admet-794	893	6	,	,	PUNCT
admet-794	893	7	n.	n.	PROPN
admet-794	893	8	trinajstić	trinajstić	PROPN
admet-794	893	9	.	.	PUNCT
admet-794	894	1	information	information	NOUN
admet-794	894	2	theory	theory	NOUN
admet-794	894	3	,	,	PUNCT
admet-794	894	4	distance	distance	NOUN
admet-794	894	5	matrix	matrix	NOUN
admet-794	894	6	,	,	PUNCT
admet-794	894	7	and	and	CCONJ
admet-794	894	8	molecular	molecular	ADJ
admet-794	894	9	branching	branching	NOUN
admet-794	894	10	.	.	PUNCT
admet-794	895	1	j.	j.	PROPN
admet-794	895	2	chem	chem	PROPN
admet-794	895	3	.	.	PUNCT
admet-794	896	1	phys	phy	NOUN
admet-794	896	2	.	.	PUNCT
admet-794	897	1	67	67	NUM
admet-794	897	2	(	(	PUNCT
admet-794	897	3	1977	1977	NUM
admet-794	897	4	)	)	PUNCT
admet-794	897	5	4517	4517	NUM
admet-794	897	6	-	-	PUNCT
admet-794	897	7	4533	4533	NUM
admet-794	897	8	.	.	PUNCT
admet-794	898	1	[	[	X
admet-794	898	2	114	114	NUM
admet-794	898	3	]	]	X
admet-794	898	4	l.h	l.h	PROPN
admet-794	898	5	.	.	PROPN
admet-794	898	6	hall	hall	PROPN
admet-794	898	7	,	,	PUNCT
admet-794	898	8	l.b	l.b	PROPN
admet-794	898	9	.	.	PROPN
admet-794	898	10	kier	kier	PROPN
admet-794	898	11	.	.	PUNCT
admet-794	899	1	reviews	review	NOUN
admet-794	899	2	of	of	ADP
admet-794	899	3	computational	computational	ADJ
admet-794	899	4	chemistry	chemistry	NOUN
admet-794	899	5	.	.	PUNCT
admet-794	900	1	in	in	ADP
admet-794	900	2	:	:	PUNCT
admet-794	900	3	d.	d.	PROPN
admet-794	900	4	boyd	boyd	PROPN
admet-794	900	5	,	,	PUNCT
admet-794	900	6	k.	k.	PROPN
admet-794	900	7	lipkowitz	lipkowitz	PROPN
admet-794	900	8	(	(	PUNCT
admet-794	900	9	eds	ed	NOUN
admet-794	900	10	.	.	PUNCT
admet-794	900	11	)	)	PUNCT
admet-794	900	12	,	,	PUNCT
admet-794	900	13	vch	vch	PROPN
admet-794	900	14	publishers	publisher	NOUN
admet-794	900	15	,	,	PUNCT
admet-794	900	16	2	2	NUM
admet-794	900	17	(	(	PUNCT
admet-794	900	18	1991	1991	NUM
admet-794	900	19	)	)	PUNCT
admet-794	900	20	367	367	NUM
admet-794	900	21	-	-	SYM
admet-794	900	22	422	422	NUM
admet-794	900	23	.	.	PUNCT
admet-794	901	1	[	[	X
admet-794	901	2	115	115	NUM
admet-794	901	3	]	]	X
admet-794	901	4	l.h	l.h	PROPN
admet-794	901	5	.	.	PROPN
admet-794	901	6	hall	hall	PROPN
admet-794	901	7	,	,	PUNCT
admet-794	901	8	l.b	l.b	PROPN
admet-794	901	9	.	.	PROPN
admet-794	901	10	kier	kier	PROPN
admet-794	901	11	.	.	PUNCT
admet-794	902	1	the	the	DET
admet-794	902	2	nature	nature	NOUN
admet-794	902	3	of	of	ADP
admet-794	902	4	structure	structure	NOUN
admet-794	902	5	–	–	PUNCT
admet-794	902	6	activity	activity	NOUN
admet-794	902	7	relationships	relationship	NOUN
admet-794	902	8	and	and	CCONJ
admet-794	902	9	their	their	PRON
admet-794	902	10	relation	relation	NOUN
admet-794	902	11	to	to	ADP
admet-794	902	12	molecular	molecular	ADJ
admet-794	902	13	connectivity	connectivity	NOUN
admet-794	902	14	.	.	PUNCT
admet-794	903	1	eur	eur	PROPN
admet-794	903	2	.	.	PUNCT
admet-794	904	1	j.	j.	PROPN
admet-794	904	2	med	med	PROPN
admet-794	904	3	.	.	PROPN
admet-794	904	4	chem	chem	PROPN
admet-794	904	5	.	.	PUNCT
admet-794	905	1	chimica	chimica	PROPN
admet-794	905	2	therapeutica	therapeutica	PROPN
admet-794	905	3	.	.	PUNCT
admet-794	906	1	4	4	NUM
admet-794	906	2	(	(	PUNCT
admet-794	906	3	1997	1997	NUM
admet-794	906	4	)	)	PUNCT
admet-794	906	5	307	307	NUM
admet-794	906	6	-	-	SYM
admet-794	906	7	312	312	NUM
admet-794	906	8	.	.	PUNCT
admet-794	907	1	©	©	PROPN
admet-794	907	2	2020	2020	NUM
admet-794	907	3	by	by	ADP
admet-794	907	4	the	the	DET
admet-794	907	5	authors	author	NOUN
admet-794	907	6	;	;	PUNCT
admet-794	907	7	licensee	licensee	PROPN
admet-794	907	8	iapc	iapc	PROPN
admet-794	907	9	,	,	PUNCT
admet-794	907	10	zagreb	zagreb	PROPN
admet-794	907	11	,	,	PUNCT
admet-794	907	12	croatia	croatia	PROPN
admet-794	907	13	.	.	PUNCT
admet-794	908	1	this	this	DET
admet-794	908	2	article	article	NOUN
admet-794	908	3	is	be	AUX
admet-794	908	4	an	an	DET
admet-794	908	5	open	open	ADJ
admet-794	908	6	-	-	PUNCT
admet-794	908	7	access	access	NOUN
admet-794	908	8	article	article	NOUN
admet-794	908	9	distributed	distribute	VERB
admet-794	908	10	under	under	ADP
admet-794	908	11	the	the	DET
admet-794	908	12	terms	term	NOUN
admet-794	908	13	and	and	CCONJ
admet-794	908	14	conditions	condition	NOUN
admet-794	908	15	of	of	ADP
admet-794	908	16	the	the	DET
admet-794	908	17	creative	creative	ADJ
admet-794	908	18	commons	common	NOUN
admet-794	908	19	attribution	attribution	NOUN
admet-794	908	20	license	license	NOUN
admet-794	908	21	(	(	PUNCT
admet-794	908	22	http://creativecommons.org/licenses/by/3.0/	http://creativecommons.org/licenses/by/3.0/	PROPN
admet-794	908	23	)	)	PUNCT
admet-794	908	24	https://www.accessdata.fda.gov/drugsatfda_docs/nda/2019/212194orig1s000chemr.pdf	https://www.accessdata.fda.gov/drugsatfda_docs/nda/2019/212194orig1s000chemr.pdf	PROPN
admet-794	909	1	https://www.accessdata.fda.gov/drugsatfda_docs/nda/2019/212194orig1s000chemr.pdf	https://www.accessdata.fda.gov/drugsatfda_docs/nda/2019/212194orig1s000chemr.pdf	PROPN
admet-794	909	2	https://www.accessdata.fda.gov/drugsatfda_docs/nda/2019/211801orig1s000chemr.pdf	https://www.accessdata.fda.gov/drugsatfda_docs/nda/2019/211801orig1s000chemr.pdf	PROPN
admet-794	909	3	http://creativecommons.org/licenses/by/3.0/	http://creativecommons.org/licenses/by/3.0/	PROPN
admet-794	909	4	admet	admet	PROPN
admet-794	909	5	&	&	CCONJ
admet-794	909	6	dmpk	dmpk	PROPN
admet-794	909	7	8(3	8(3	NUM
admet-794	909	8	)	)	PUNCT
admet-794	909	9	(	(	PUNCT
admet-794	909	10	2020	2020	NUM
admet-794	909	11	)	)	PUNCT
admet-794	909	12	180	180	NUM
admet-794	909	13	-	-	SYM
admet-794	909	14	206	206	NUM
admet-794	909	15	can	can	AUX
admet-794	909	16	small	small	ADJ
admet-794	909	17	drugs	drug	NOUN
admet-794	909	18	predict	predict	VERB
admet-794	909	19	log	log	NOUN
admet-794	909	20	s0	s0	PROPN
admet-794	909	21	of	of	ADP
admet-794	909	22	‘	'	PUNCT
admet-794	909	23	beyond	beyond	ADP
admet-794	909	24	rule	rule	NOUN
admet-794	909	25	of	of	ADP
admet-794	909	26	5	5	NUM
admet-794	909	27	’	'	PUNCT
admet-794	909	28	big	big	ADJ
admet-794	909	29	drugs	drug	NOUN
admet-794	909	30	?	?	PUNCT
admet-794	910	1	doi	doi	NOUN
admet-794	910	2	:	:	PUNCT
admet-794	910	3	http://dx.doi.org/10.5599/admet.794	http://dx.doi.org/10.5599/admet.794	ADJ
admet-794	910	4	203	203	NUM
admet-794	910	5	appendix	appendix	NOUN
admet-794	910	6	underlined	underline	VERB
admet-794	910	7	names	name	NOUN
admet-794	910	8	denote	denote	VERB
admet-794	910	9	compounds	compound	NOUN
admet-794	910	10	whose	whose	DET
admet-794	910	11	crystal	crystal	NOUN
admet-794	910	12	structures	structure	NOUN
admet-794	910	13	have	have	AUX
admet-794	910	14	not	not	PART
admet-794	910	15	been	be	AUX
admet-794	910	16	deposited	deposit	VERB
admet-794	910	17	in	in	ADP
admet-794	910	18	the	the	DET
admet-794	910	19	cambridge	cambridge	PROPN
admet-794	910	20	crystallographic	crystallographic	PROPN
admet-794	910	21	data	data	PROPN
admet-794	910	22	centre	centre	NOUN
admet-794	910	23	.	.	PUNCT
admet-794	911	1	http://dx.doi.org/10.5599/admet.794	http://dx.doi.org/10.5599/admet.794	ADJ
admet-794	911	2	alex	alex	PROPN
admet-794	911	3	avdeef	avdeef	PROPN
admet-794	911	4	and	and	CCONJ
admet-794	911	5	manfred	manfred	PROPN
admet-794	911	6	kansy	kansy	PROPN
admet-794	911	7	admet	admet	PROPN
admet-794	911	8	&	&	CCONJ
admet-794	911	9	dmpk	dmpk	PROPN
admet-794	911	10	8(3	8(3	NUM
admet-794	911	11	)	)	PUNCT
admet-794	911	12	(	(	PUNCT
admet-794	911	13	2020	2020	NUM
admet-794	911	14	)	)	PUNCT
admet-794	911	15	180	180	NUM
admet-794	911	16	-	-	SYM
admet-794	911	17	206	206	NUM
admet-794	911	18	204	204	NUM
admet-794	911	19	admet	admet	NOUN
admet-794	911	20	&	&	CCONJ
admet-794	911	21	dmpk	dmpk	PROPN
admet-794	911	22	8(3	8(3	NUM
admet-794	911	23	)	)	PUNCT
admet-794	911	24	(	(	PUNCT
admet-794	911	25	2020	2020	NUM
admet-794	911	26	)	)	PUNCT
admet-794	911	27	180	180	NUM
admet-794	911	28	-	-	SYM
admet-794	911	29	206	206	NUM
admet-794	911	30	can	can	AUX
admet-794	911	31	small	small	ADJ
admet-794	911	32	drugs	drug	NOUN
admet-794	911	33	predict	predict	VERB
admet-794	911	34	log	log	NOUN
admet-794	911	35	s0	s0	PROPN
admet-794	911	36	of	of	ADP
admet-794	911	37	‘	'	PUNCT
admet-794	911	38	beyond	beyond	ADP
admet-794	911	39	rule	rule	NOUN
admet-794	911	40	of	of	ADP
admet-794	911	41	5	5	NUM
admet-794	911	42	’	'	PUNCT
admet-794	911	43	big	big	ADJ
admet-794	911	44	drugs	drug	NOUN
admet-794	911	45	?	?	PUNCT
admet-794	912	1	doi	doi	NOUN
admet-794	912	2	:	:	PUNCT
admet-794	912	3	http://dx.doi.org/10.5599/admet.794	http://dx.doi.org/10.5599/admet.794	NOUN
admet-794	912	4	205	205	NUM
admet-794	912	5	http://dx.doi.org/10.5599/admet.794	http://dx.doi.org/10.5599/admet.794	ADJ
admet-794	912	6	alex	alex	PROPN
admet-794	912	7	avdeef	avdeef	PROPN
admet-794	912	8	and	and	CCONJ
admet-794	912	9	manfred	manfred	PROPN
admet-794	912	10	kansy	kansy	PROPN
admet-794	912	11	admet	admet	PROPN
admet-794	912	12	&	&	CCONJ
admet-794	912	13	dmpk	dmpk	PROPN
admet-794	912	14	8(3	8(3	NUM
admet-794	912	15	)	)	PUNCT
admet-794	912	16	(	(	PUNCT
admet-794	912	17	2020	2020	NUM
admet-794	912	18	)	)	PUNCT
admet-794	912	19	180	180	NUM
admet-794	912	20	-	-	SYM
admet-794	912	21	206	206	NUM
admet-794	912	22	206	206	NUM
admet-794	912	23	©	©	PROPN
admet-794	912	24	2020	2020	NUM
admet-794	912	25	by	by	ADP
admet-794	912	26	the	the	DET
admet-794	912	27	authors	author	NOUN
admet-794	912	28	;	;	PUNCT
admet-794	912	29	licensee	licensee	PROPN
admet-794	912	30	iapc	iapc	PROPN
admet-794	912	31	,	,	PUNCT
admet-794	912	32	zagreb	zagreb	PROPN
admet-794	912	33	,	,	PUNCT
admet-794	912	34	croatia	croatia	PROPN
admet-794	912	35	.	.	PUNCT
admet-794	913	1	this	this	DET
admet-794	913	2	article	article	NOUN
admet-794	913	3	is	be	AUX
admet-794	913	4	an	an	DET
admet-794	913	5	open	open	ADJ
admet-794	913	6	-	-	PUNCT
admet-794	913	7	access	access	NOUN
admet-794	913	8	article	article	NOUN
admet-794	913	9	distributed	distribute	VERB
admet-794	913	10	under	under	ADP
admet-794	913	11	the	the	DET
admet-794	913	12	terms	term	NOUN
admet-794	913	13	and	and	CCONJ
admet-794	913	14	conditions	condition	NOUN
admet-794	913	15	of	of	ADP
admet-794	913	16	the	the	DET
admet-794	913	17	creative	creative	ADJ
admet-794	913	18	commons	common	NOUN
admet-794	913	19	attribution	attribution	NOUN
admet-794	913	20	license	license	NOUN
admet-794	913	21	(	(	PUNCT
admet-794	913	22	http://creativecommons.org/licenses/by/3.0/	http://creativecommons.org/licenses/by/3.0/	PROPN
admet-794	913	23	)	)	PUNCT
admet-794	913	24	http://creativecommons.org/licenses/by/3.0/	http://creativecommons.org/licenses/by/3.0/	PROPN