id	sid	tid	token	lemma	pos
admet-678	1	1	quantitative	quantitative	ADJ
admet-678	1	2	structure	structure	NOUN
admet-678	1	3	-	-	PUNCT
admet-678	1	4	activity	activity	NOUN
admet-678	1	5	relationship	relationship	NOUN
admet-678	1	6	to	to	PART
admet-678	1	7	elucidate	elucidate	VERB
admet-678	1	8	human	human	ADJ
admet-678	1	9	cyp2a6	cyp2a6	NOUN
admet-678	1	10	inhibition	inhibition	NOUN
admet-678	1	11	by	by	ADP
admet-678	1	12	organosulfur	organosulfur	NOUN
admet-678	1	13	compounds	compound	NOUN
admet-678	1	14	doi	doi	NOUN
admet-678	1	15	:	:	PUNCT
admet-678	1	16	10.5599	10.5599	NUM
admet-678	1	17	/	/	SYM
admet-678	1	18	admet.678	admet.678	NOUN
admet-678	1	19	196	196	NUM
admet-678	1	20	admet	admet	X
admet-678	1	21	&	&	CCONJ
admet-678	1	22	dmpk	dmpk	PROPN
admet-678	1	23	7(3	7(3	NUM
admet-678	1	24	)	)	PUNCT
admet-678	1	25	(	(	PUNCT
admet-678	1	26	2019	2019	NUM
admet-678	1	27	)	)	PUNCT
admet-678	1	28	196	196	NUM
admet-678	1	29	-	-	SYM
admet-678	1	30	209	209	NUM
admet-678	1	31	;	;	PUNCT
admet-678	1	32	doi	doi	NOUN
admet-678	1	33	:	:	PUNCT
admet-678	1	34	http://dx.doi.org/10.5599/admet.678	http://dx.doi.org/10.5599/admet.678	ADJ
admet-678	1	35	open	open	ADJ
admet-678	1	36	access	access	NOUN
admet-678	1	37	:	:	PUNCT
admet-678	1	38	issn	issn	PROPN
admet-678	1	39	:	:	PUNCT
admet-678	1	40	1848	1848	NUM
admet-678	1	41	-	-	SYM
admet-678	1	42	7718	7718	NUM
admet-678	1	43	http://www.pub.iapchem.org/ojs/index.php/admet/index	http://www.pub.iapchem.org/ojs/index.php/admet/index	NOUN
admet-678	1	44	original	original	ADJ
admet-678	1	45	scientific	scientific	ADJ
admet-678	1	46	paper	paper	NOUN
admet-678	1	47	quantitative	quantitative	ADJ
admet-678	1	48	structure	structure	NOUN
admet-678	1	49	-	-	PUNCT
admet-678	1	50	activity	activity	NOUN
admet-678	1	51	relationship	relationship	NOUN
admet-678	1	52	to	to	PART
admet-678	1	53	elucidate	elucidate	VERB
admet-678	1	54	human	human	ADJ
admet-678	1	55	cyp2a6	cyp2a6	NOUN
admet-678	1	56	inhibition	inhibition	NOUN
admet-678	1	57	by	by	ADP
admet-678	1	58	organosulfur	organosulfur	NOUN
admet-678	1	59	compounds	compound	NOUN
admet-678	1	60	daniela	daniela	PROPN
admet-678	1	61	a.	a.	PROPN
admet-678	1	62	ramirez1	ramirez1	PROPN
admet-678	1	63	,	,	PUNCT
admet-678	1	64	eduardo	eduardo	PROPN
admet-678	1	65	j.	j.	PROPN
admet-678	1	66	marchevsky2	marchevsky2	PROPN
admet-678	1	67	,	,	PUNCT
admet-678	1	68	juan	juan	PROPN
admet-678	1	69	m.	m.	PROPN
admet-678	1	70	luco2	luco2	PROPN
admet-678	1	71	,	,	PUNCT
admet-678	1	72	*	*	PUNCT
admet-678	1	73	and	and	CCONJ
admet-678	1	74	alejandra	alejandra	PROPN
admet-678	1	75	b.	b.	PROPN
admet-678	1	76	camargo1	camargo1	PROPN
admet-678	1	77	,	,	PUNCT
admet-678	1	78	*	*	PROPN
admet-678	1	79	1	1	NUM
admet-678	1	80	instituto	instituto	PROPN
admet-678	1	81	de	de	PROPN
admet-678	1	82	biología	biología	PROPN
admet-678	1	83	agrícola	agrícola	PROPN
admet-678	1	84	de	de	PROPN
admet-678	1	85	mendoza	mendoza	PROPN
admet-678	1	86	(	(	PUNCT
admet-678	1	87	ibam	ibam	NOUN
admet-678	1	88	)	)	PUNCT
admet-678	2	1	,	,	PUNCT
admet-678	2	2	consejo	consejo	PROPN
admet-678	2	3	nacional	nacional	PROPN
admet-678	2	4	de	de	PROPN
admet-678	2	5	investigaciones	investigaciones	PROPN
admet-678	2	6	científicas	científicas	VERB
admet-678	2	7	y	y	PROPN
admet-678	2	8	técnicas	técnicas	NOUN
admet-678	2	9	(	(	PUNCT
admet-678	2	10	conicet	conicet	PROPN
admet-678	2	11	)	)	PUNCT
admet-678	2	12	.	.	PUNCT
admet-678	3	1	almirante	almirante	PROPN
admet-678	3	2	brown	brown	PROPN
admet-678	3	3	500	500	NUM
admet-678	3	4	,	,	PUNCT
admet-678	3	5	chacras	chacras	PROPN
admet-678	3	6	de	de	PROPN
admet-678	3	7	coria	coria	PROPN
admet-678	3	8	,	,	PUNCT
admet-678	3	9	mendoza	mendoza	PROPN
admet-678	3	10	,	,	PUNCT
admet-678	3	11	argentina	argentina	PROPN
admet-678	3	12	2	2	NUM
admet-678	3	13	área	área	PROPN
admet-678	3	14	de	de	PROPN
admet-678	3	15	química	química	PROPN
admet-678	3	16	analítica	analítica	PROPN
admet-678	3	17	,	,	PUNCT
admet-678	3	18	facultad	facultad	PROPN
admet-678	3	19	de	de	PROPN
admet-678	3	20	química	química	PROPN
admet-678	3	21	,	,	PUNCT
admet-678	3	22	bioquímica	bioquímica	PROPN
admet-678	3	23	y	y	PROPN
admet-678	3	24	farmacia	farmacia	PROPN
admet-678	3	25	,	,	PUNCT
admet-678	3	26	universidad	universidad	PROPN
admet-678	3	27	nacional	nacional	PROPN
admet-678	3	28	de	de	PROPN
admet-678	3	29	san	san	PROPN
admet-678	3	30	luis	luis	PROPN
admet-678	3	31	,	,	PUNCT
admet-678	3	32	chacabuco	chacabuco	PROPN
admet-678	3	33	y	y	PROPN
admet-678	3	34	pedernera	pedernera	NOUN
admet-678	3	35	5700	5700	NUM
admet-678	3	36	san	san	PROPN
admet-678	3	37	luis	luis	PROPN
admet-678	3	38	,	,	PUNCT
admet-678	3	39	argentina	argentina	PROPN
admet-678	3	40	*	*	PUNCT
admet-678	3	41	corresponding	correspond	VERB
admet-678	3	42	authors	author	NOUN
admet-678	3	43	:	:	PUNCT
admet-678	3	44	dr	dr	PROPN
admet-678	3	45	.	.	PROPN
admet-678	3	46	alejandra	alejandra	PROPN
admet-678	3	47	carmago	carmago	PROPN
admet-678	3	48	,	,	PUNCT
admet-678	3	49	email	email	NOUN
admet-678	3	50	:	:	PUNCT
admet-678	3	51	alebcamargo@gmail.com	alebcamargo@gmail.com	PROPN
admet-678	3	52	;	;	PUNCT
admet-678	3	53	dr	dr	PROPN
admet-678	3	54	.	.	PROPN
admet-678	3	55	juan	juan	PROPN
admet-678	3	56	luco	luco	PROPN
admet-678	3	57	,	,	PUNCT
admet-678	3	58	email	email	NOUN
admet-678	3	59	:	:	PUNCT
admet-678	3	60	jmluco@unsl.edu.ar	jmluco@unsl.edu.ar	PROPN
admet-678	3	61	.	.	PUNCT
admet-678	4	1	received	receive	VERB
admet-678	4	2	:	:	PUNCT
admet-678	4	3	march	march	PROPN
admet-678	4	4	06	06	NUM
admet-678	4	5	,	,	PUNCT
admet-678	4	6	2019	2019	NUM
admet-678	4	7	;	;	PUNCT
admet-678	4	8	revised	revise	VERB
admet-678	4	9	:	:	PUNCT
admet-678	4	10	july	july	PROPN
admet-678	4	11	12	12	NUM
admet-678	4	12	,	,	PUNCT
admet-678	4	13	2019	2019	NUM
admet-678	4	14	;	;	PUNCT
admet-678	4	15	available	available	ADJ
admet-678	4	16	online	online	NOUN
admet-678	4	17	:	:	PUNCT
admet-678	4	18	august	august	PROPN
admet-678	4	19	05	05	NUM
admet-678	4	20	,	,	PUNCT
admet-678	4	21	2019	2019	NUM
admet-678	4	22	abstract	abstract	ADJ
admet-678	4	23	cyp2a6	cyp2a6	PROPN
admet-678	4	24	is	be	AUX
admet-678	4	25	a	a	DET
admet-678	4	26	human	human	ADJ
admet-678	4	27	enzyme	enzyme	NOUN
admet-678	4	28	responsible	responsible	ADJ
admet-678	4	29	for	for	ADP
admet-678	4	30	the	the	DET
admet-678	4	31	metabolic	metabolic	NOUN
admet-678	4	32	elimination	elimination	NOUN
admet-678	4	33	of	of	ADP
admet-678	4	34	nicotine	nicotine	NOUN
admet-678	4	35	,	,	PUNCT
admet-678	4	36	and	and	CCONJ
admet-678	4	37	it	it	PRON
admet-678	4	38	is	be	AUX
admet-678	4	39	also	also	ADV
admet-678	4	40	involved	involve	VERB
admet-678	4	41	in	in	ADP
admet-678	4	42	the	the	DET
admet-678	4	43	activation	activation	NOUN
admet-678	4	44	of	of	ADP
admet-678	4	45	procarcinogenic	procarcinogenic	ADJ
admet-678	4	46	nitrosamines	nitrosamine	NOUN
admet-678	4	47	,	,	PUNCT
admet-678	4	48	especially	especially	ADV
admet-678	4	49	those	those	PRON
admet-678	4	50	present	present	ADJ
admet-678	4	51	in	in	ADP
admet-678	4	52	tobacco	tobacco	NOUN
admet-678	4	53	smoke	smoke	NOUN
admet-678	4	54	.	.	PUNCT
admet-678	5	1	several	several	ADJ
admet-678	5	2	investigations	investigation	NOUN
admet-678	5	3	have	have	AUX
admet-678	5	4	reported	report	VERB
admet-678	5	5	that	that	SCONJ
admet-678	5	6	reducing	reduce	VERB
admet-678	5	7	this	this	DET
admet-678	5	8	enzyme	enzyme	NOUN
admet-678	5	9	activity	activity	NOUN
admet-678	5	10	may	may	AUX
admet-678	5	11	contribute	contribute	VERB
admet-678	5	12	to	to	ADP
admet-678	5	13	anti	anti	ADJ
admet-678	5	14	-	-	ADJ
admet-678	5	15	smoking	smoking	ADJ
admet-678	5	16	therapy	therapy	NOUN
admet-678	5	17	as	as	ADV
admet-678	5	18	well	well	ADV
admet-678	5	19	as	as	ADP
admet-678	5	20	reducing	reduce	VERB
admet-678	5	21	the	the	DET
admet-678	5	22	risk	risk	NOUN
admet-678	5	23	of	of	ADP
admet-678	5	24	promutagens	promutagen	NOUN
admet-678	5	25	in	in	ADP
admet-678	5	26	the	the	DET
admet-678	5	27	body	body	NOUN
admet-678	5	28	.	.	PUNCT
admet-678	6	1	for	for	ADP
admet-678	6	2	these	these	DET
admet-678	6	3	reasons	reason	NOUN
admet-678	6	4	,	,	PUNCT
admet-678	6	5	several	several	ADJ
admet-678	6	6	authors	author	NOUN
admet-678	6	7	investigate	investigate	VERB
admet-678	6	8	selective	selective	ADJ
admet-678	6	9	inhibitors	inhibitor	NOUN
admet-678	6	10	molecules	molecule	NOUN
admet-678	6	11	toward	toward	ADP
admet-678	6	12	this	this	DET
admet-678	6	13	enzyme	enzyme	NOUN
admet-678	6	14	.	.	PUNCT
admet-678	7	1	the	the	DET
admet-678	7	2	aim	aim	NOUN
admet-678	7	3	of	of	ADP
admet-678	7	4	this	this	DET
admet-678	7	5	study	study	NOUN
admet-678	7	6	was	be	AUX
admet-678	7	7	to	to	PART
admet-678	7	8	evaluate	evaluate	VERB
admet-678	7	9	the	the	DET
admet-678	7	10	interactions	interaction	NOUN
admet-678	7	11	between	between	ADP
admet-678	7	12	a	a	DET
admet-678	7	13	set	set	NOUN
admet-678	7	14	of	of	ADP
admet-678	7	15	organosulfur	organosulfur	NOUN
admet-678	7	16	compounds	compound	NOUN
admet-678	7	17	and	and	CCONJ
admet-678	7	18	the	the	DET
admet-678	7	19	cyp2a6	cyp2a6	NOUN
admet-678	7	20	enzyme	enzyme	NOUN
admet-678	7	21	by	by	ADP
admet-678	7	22	a	a	DET
admet-678	7	23	quantitative	quantitative	ADJ
admet-678	7	24	structure	structure	NOUN
admet-678	7	25	-	-	PUNCT
admet-678	7	26	activity	activity	NOUN
admet-678	7	27	relationship	relationship	NOUN
admet-678	7	28	(	(	PUNCT
admet-678	7	29	qsar	qsar	NOUN
admet-678	7	30	)	)	PUNCT
admet-678	7	31	analysis	analysis	NOUN
admet-678	7	32	.	.	PUNCT
admet-678	8	1	the	the	DET
admet-678	8	2	present	present	ADJ
admet-678	8	3	work	work	NOUN
admet-678	8	4	provides	provide	VERB
admet-678	8	5	a	a	DET
admet-678	8	6	better	well	ADJ
admet-678	8	7	understanding	understanding	NOUN
admet-678	8	8	of	of	ADP
admet-678	8	9	the	the	DET
admet-678	8	10	mechanisms	mechanism	NOUN
admet-678	8	11	involved	involve	VERB
admet-678	8	12	,	,	PUNCT
admet-678	8	13	with	with	ADP
admet-678	8	14	the	the	DET
admet-678	8	15	final	final	ADJ
admet-678	8	16	goal	goal	NOUN
admet-678	8	17	of	of	ADP
admet-678	8	18	providing	provide	VERB
admet-678	8	19	information	information	NOUN
admet-678	8	20	for	for	ADP
admet-678	8	21	the	the	DET
admet-678	8	22	future	future	ADJ
admet-678	8	23	design	design	NOUN
admet-678	8	24	of	of	ADP
admet-678	8	25	cyp2a6	cyp2a6	NOUN
admet-678	8	26	inhibitors	inhibitor	NOUN
admet-678	8	27	based	base	VERB
admet-678	8	28	on	on	ADP
admet-678	8	29	dietary	dietary	ADJ
admet-678	8	30	compounds	compound	NOUN
admet-678	8	31	.	.	PUNCT
admet-678	9	1	the	the	DET
admet-678	9	2	reported	report	VERB
admet-678	9	3	activity	activity	NOUN
admet-678	9	4	data	datum	NOUN
admet-678	9	5	were	be	AUX
admet-678	9	6	modeled	model	VERB
admet-678	9	7	by	by	ADP
admet-678	9	8	means	mean	NOUN
admet-678	9	9	of	of	ADP
admet-678	9	10	multiple	multiple	ADJ
admet-678	9	11	regression	regression	NOUN
admet-678	9	12	analysis	analysis	NOUN
admet-678	9	13	(	(	PUNCT
admet-678	9	14	mlr	mlr	NOUN
admet-678	9	15	)	)	PUNCT
admet-678	9	16	and	and	CCONJ
admet-678	9	17	partial	partial	ADJ
admet-678	9	18	least	least	ADJ
admet-678	9	19	-	-	PUNCT
admet-678	9	20	squares	square	NOUN
admet-678	9	21	(	(	PUNCT
admet-678	9	22	pls	pls	INTJ
admet-678	9	23	)	)	PUNCT
admet-678	9	24	techniques	technique	NOUN
admet-678	9	25	.	.	PUNCT
admet-678	10	1	the	the	DET
admet-678	10	2	results	result	NOUN
admet-678	10	3	indicate	indicate	VERB
admet-678	10	4	that	that	SCONJ
admet-678	10	5	hydrophobic	hydrophobic	NOUN
admet-678	10	6	and	and	CCONJ
admet-678	10	7	steric	steric	ADJ
admet-678	10	8	factors	factor	NOUN
admet-678	10	9	govern	govern	VERB
admet-678	10	10	the	the	DET
admet-678	10	11	union	union	NOUN
admet-678	10	12	,	,	PUNCT
admet-678	10	13	while	while	SCONJ
admet-678	10	14	electronic	electronic	ADJ
admet-678	10	15	factors	factor	NOUN
admet-678	10	16	are	be	AUX
admet-678	10	17	strongly	strongly	ADV
admet-678	10	18	involved	involve	VERB
admet-678	10	19	in	in	ADP
admet-678	10	20	the	the	DET
admet-678	10	21	case	case	NOUN
admet-678	10	22	of	of	ADP
admet-678	10	23	monosulfides	monosulfide	NOUN
admet-678	10	24	.	.	PUNCT
admet-678	11	1	keywords	keyword	VERB
admet-678	11	2	quantitative	quantitative	ADJ
admet-678	11	3	structure	structure	NOUN
admet-678	11	4	-	-	PUNCT
admet-678	11	5	activity	activity	NOUN
admet-678	11	6	relationship	relationship	NOUN
admet-678	11	7	(	(	PUNCT
admet-678	11	8	qsar	qsar	NOUN
admet-678	11	9	)	)	PUNCT
admet-678	11	10	;	;	PUNCT
admet-678	12	1	cyp2a6	cyp2a6	NOUN
admet-678	12	2	;	;	PUNCT
admet-678	12	3	inhibitors	inhibitor	NOUN
admet-678	12	4	;	;	PUNCT
admet-678	12	5	organosulfur	organosulfur	NOUN
admet-678	12	6	compounds	compound	VERB
admet-678	12	7	introduction	introduction	NOUN
admet-678	12	8	cytochrome	cytochrome	PROPN
admet-678	12	9	p450s	p450s	PROPN
admet-678	12	10	(	(	PUNCT
admet-678	12	11	cyps	cyps	PROPN
admet-678	12	12	)	)	PUNCT
admet-678	12	13	comprise	comprise	VERB
admet-678	12	14	a	a	DET
admet-678	12	15	superfamily	superfamily	NOUN
admet-678	12	16	of	of	ADP
admet-678	12	17	heme	heme	NOUN
admet-678	12	18	-	-	PUNCT
admet-678	12	19	containing	contain	VERB
admet-678	12	20	enzymes	enzyme	NOUN
admet-678	12	21	responsible	responsible	ADJ
admet-678	12	22	for	for	ADP
admet-678	12	23	the	the	DET
admet-678	12	24	metabolism	metabolism	NOUN
admet-678	12	25	of	of	ADP
admet-678	12	26	numerous	numerous	ADJ
admet-678	12	27	compounds	compound	NOUN
admet-678	12	28	,	,	PUNCT
admet-678	12	29	therefore	therefore	ADV
admet-678	12	30	they	they	PRON
admet-678	12	31	are	be	AUX
admet-678	12	32	important	important	ADJ
admet-678	12	33	objects	object	NOUN
admet-678	12	34	of	of	ADP
admet-678	12	35	study	study	NOUN
admet-678	12	36	mainly	mainly	ADV
admet-678	12	37	in	in	ADP
admet-678	12	38	the	the	DET
admet-678	12	39	areas	area	NOUN
admet-678	12	40	of	of	ADP
admet-678	12	41	pharmacology	pharmacology	NOUN
admet-678	12	42	and	and	CCONJ
admet-678	12	43	toxicology	toxicology	NOUN
admet-678	12	44	[	[	X
admet-678	12	45	23	23	NUM
admet-678	12	46	]	]	PUNCT
admet-678	12	47	.	.	PUNCT
admet-678	13	1	cyps	cyps	PROPN
admet-678	13	2	are	be	AUX
admet-678	13	3	known	know	VERB
admet-678	13	4	for	for	ADP
admet-678	13	5	the	the	DET
admet-678	13	6	diversity	diversity	NOUN
admet-678	13	7	of	of	ADP
admet-678	13	8	reactions	reaction	NOUN
admet-678	13	9	they	they	PRON
admet-678	13	10	catalyze	catalyze	VERB
admet-678	13	11	,	,	PUNCT
admet-678	13	12	as	as	ADV
admet-678	13	13	well	well	ADV
admet-678	13	14	as	as	ADP
admet-678	13	15	,	,	PUNCT
admet-678	13	16	the	the	DET
admet-678	13	17	range	range	NOUN
admet-678	13	18	of	of	ADP
admet-678	13	19	different	different	ADJ
admet-678	13	20	molecules	molecule	NOUN
admet-678	13	21	with	with	ADP
admet-678	13	22	whom	whom	PRON
admet-678	13	23	they	they	PRON
admet-678	13	24	interact	interact	VERB
admet-678	13	25	.	.	PUNCT
admet-678	14	1	cytochrome	cytochrome	PROPN
admet-678	14	2	p450s	p450s	PROPN
admet-678	14	3	are	be	AUX
admet-678	14	4	responsible	responsible	ADJ
admet-678	14	5	for	for	ADP
admet-678	14	6	the	the	DET
admet-678	14	7	majority	majority	NOUN
admet-678	14	8	of	of	ADP
admet-678	14	9	phase	phase	NOUN
admet-678	14	10	i	i	PRON
admet-678	14	11	metabolism	metabolism	NOUN
admet-678	14	12	of	of	ADP
admet-678	14	13	exogenous	exogenous	ADJ
admet-678	14	14	molecules	molecule	NOUN
admet-678	14	15	such	such	ADJ
admet-678	14	16	as	as	ADP
admet-678	14	17	drugs	drug	NOUN
admet-678	14	18	,	,	PUNCT
admet-678	14	19	xenobiotics	xenobiotic	NOUN
admet-678	14	20	,	,	PUNCT
admet-678	14	21	environmental	environmental	ADJ
admet-678	14	22	pollutants	pollutant	NOUN
admet-678	14	23	,	,	PUNCT
admet-678	14	24	dietary	dietary	ADJ
admet-678	14	25	compounds	compound	NOUN
admet-678	14	26	,	,	PUNCT
admet-678	14	27	and	and	CCONJ
admet-678	14	28	endogenous	endogenous	ADJ
admet-678	14	29	molecules	molecule	NOUN
admet-678	14	30	such	such	ADJ
admet-678	14	31	as	as	ADP
admet-678	14	32	steroids	steroid	NOUN
admet-678	14	33	,	,	PUNCT
admet-678	14	34	fatty	fatty	NOUN
admet-678	14	35	acids	acid	NOUN
admet-678	14	36	,	,	PUNCT
admet-678	14	37	and	and	CCONJ
admet-678	14	38	prostaglandins	prostaglandin	NOUN
admet-678	14	39	[	[	X
admet-678	14	40	3,5,10	3,5,10	PROPN
admet-678	14	41	]	]	PUNCT
admet-678	14	42	.	.	PUNCT
admet-678	15	1	the	the	DET
admet-678	15	2	effects	effect	NOUN
admet-678	15	3	of	of	ADP
admet-678	15	4	these	these	DET
admet-678	15	5	transformations	transformation	NOUN
admet-678	15	6	can	can	AUX
admet-678	15	7	be	be	AUX
admet-678	15	8	manifested	manifest	VERB
admet-678	15	9	in	in	ADP
admet-678	15	10	drug	drug	NOUN
admet-678	15	11	bioavailability	bioavailability	NOUN
admet-678	15	12	and	and	CCONJ
admet-678	15	13	toxicity	toxicity	NOUN
admet-678	15	14	,	,	PUNCT
admet-678	15	15	adverse	adverse	ADJ
admet-678	15	16	drugs	drug	NOUN
admet-678	15	17	interactions	interaction	NOUN
admet-678	15	18	,	,	PUNCT
admet-678	15	19	activation	activation	NOUN
admet-678	15	20	of	of	ADP
admet-678	15	21	procarcinogenic	procarcinogenic	ADJ
admet-678	15	22	compounds	compound	NOUN
admet-678	15	23	,	,	PUNCT
admet-678	15	24	and	and	CCONJ
admet-678	15	25	biotransformation	biotransformation	NOUN
admet-678	15	26	of	of	ADP
admet-678	15	27	molecules	molecule	NOUN
admet-678	15	28	for	for	ADP
admet-678	15	29	subsequent	subsequent	ADJ
admet-678	15	30	elimination	elimination	NOUN
admet-678	15	31	[	[	X
admet-678	15	32	8,9	8,9	NUM
admet-678	15	33	]	]	PUNCT
admet-678	15	34	.	.	PUNCT
admet-678	16	1	http://www.pub.iapchem.org/ojs/index.php/admet/index	http://www.pub.iapchem.org/ojs/index.php/admet/index	PROPN
admet-678	16	2	mailto:alebcamargo@gmail.com	mailto:alebcamargo@gmail.com	PROPN
admet-678	16	3	mailto:jmluco@unsl.edu.ar	mailto:jmluco@unsl.edu.ar	PROPN
admet-678	16	4	admet	admet	PROPN
admet-678	16	5	&	&	CCONJ
admet-678	16	6	dmpk	dmpk	PROPN
admet-678	16	7	7(3	7(3	NUM
admet-678	16	8	)	)	PUNCT
admet-678	16	9	(	(	PUNCT
admet-678	16	10	2019	2019	NUM
admet-678	16	11	)	)	PUNCT
admet-678	16	12	196	196	NUM
admet-678	16	13	-	-	SYM
admet-678	16	14	209	209	NUM
admet-678	16	15	organosulfur	organosulfur	NOUN
admet-678	16	16	–	–	PUNCT
admet-678	16	17	cyp2a6	cyp2a6	NOUN
admet-678	16	18	qsar	qsar	NOUN
admet-678	16	19	study	study	NOUN
admet-678	16	20	doi	doi	NOUN
admet-678	16	21	:	:	PUNCT
admet-678	16	22	10.5599	10.5599	NUM
admet-678	16	23	/	/	SYM
admet-678	16	24	admet.678	admet.678	NOUN
admet-678	16	25	197	197	NUM
admet-678	16	26	among	among	ADP
admet-678	16	27	the	the	DET
admet-678	16	28	cyp	cyp	ADJ
admet-678	16	29	enzymes	enzyme	NOUN
admet-678	16	30	,	,	PUNCT
admet-678	16	31	cyp2a6	cyp2a6	PROPN
admet-678	16	32	is	be	AUX
admet-678	16	33	the	the	DET
admet-678	16	34	only	only	ADJ
admet-678	16	35	member	member	NOUN
admet-678	16	36	of	of	ADP
admet-678	16	37	the	the	DET
admet-678	16	38	2a	2a	NUM
admet-678	16	39	subfamily	subfamily	ADV
admet-678	16	40	that	that	PRON
admet-678	16	41	is	be	AUX
admet-678	16	42	expressed	express	VERB
admet-678	16	43	in	in	ADP
admet-678	16	44	humans	human	NOUN
admet-678	16	45	and	and	CCONJ
admet-678	16	46	it	it	PRON
admet-678	16	47	catalyzes	catalyze	VERB
admet-678	16	48	the	the	DET
admet-678	16	49	coumarin	coumarin	NOUN
admet-678	16	50	7	7	NUM
admet-678	16	51	-	-	PUNCT
admet-678	16	52	hydroxylation	hydroxylation	NOUN
admet-678	16	53	reaction	reaction	NOUN
admet-678	16	54	(	(	PUNCT
admet-678	16	55	marker	marker	NOUN
admet-678	16	56	substrate)[5,6,23	substrate)[5,6,23	NOUN
admet-678	16	57	]	]	PUNCT
admet-678	16	58	.	.	PUNCT
admet-678	17	1	the	the	DET
admet-678	17	2	current	current	ADJ
admet-678	17	3	interest	interest	NOUN
admet-678	17	4	in	in	ADP
admet-678	17	5	cyp2a6	cyp2a6	PROPN
admet-678	17	6	,	,	PUNCT
admet-678	17	7	its	its	PRON
admet-678	17	8	polymorphisms	polymorphism	NOUN
admet-678	17	9	and	and	CCONJ
admet-678	17	10	alleles	allele	NOUN
admet-678	17	11	,	,	PUNCT
admet-678	17	12	is	be	AUX
admet-678	17	13	mostly	mostly	ADV
admet-678	17	14	due	due	ADJ
admet-678	17	15	to	to	ADP
admet-678	17	16	its	its	PRON
admet-678	17	17	effects	effect	NOUN
admet-678	17	18	on	on	ADP
admet-678	17	19	tobacco	tobacco	NOUN
admet-678	17	20	addiction	addiction	NOUN
admet-678	17	21	,	,	PUNCT
admet-678	17	22	and	and	CCONJ
admet-678	17	23	the	the	DET
admet-678	17	24	subsequent	subsequent	ADJ
admet-678	17	25	impact	impact	NOUN
admet-678	17	26	on	on	ADP
admet-678	17	27	lung	lung	NOUN
admet-678	17	28	cancer	cancer	NOUN
admet-678	17	29	.	.	PUNCT
admet-678	18	1	accordingly	accordingly	ADV
admet-678	18	2	,	,	PUNCT
admet-678	18	3	two	two	NUM
admet-678	18	4	important	important	ADJ
admet-678	18	5	features	feature	NOUN
admet-678	18	6	are	be	AUX
admet-678	18	7	noteworthy	noteworthy	ADJ
admet-678	18	8	:	:	PUNCT
admet-678	18	9	cyp2a6	cyp2a6	NOUN
admet-678	18	10	is	be	AUX
admet-678	18	11	the	the	DET
admet-678	18	12	major	major	ADJ
admet-678	18	13	catalyst	catalyst	NOUN
admet-678	18	14	of	of	ADP
admet-678	18	15	metabolic	metabolic	NOUN
admet-678	18	16	elimination	elimination	NOUN
admet-678	18	17	of	of	ADP
admet-678	18	18	nicotine	nicotine	NOUN
admet-678	18	19	,	,	PUNCT
admet-678	18	20	and	and	CCONJ
admet-678	18	21	it	it	PRON
admet-678	18	22	is	be	AUX
admet-678	18	23	also	also	ADV
admet-678	18	24	involved	involve	VERB
admet-678	18	25	in	in	ADP
admet-678	18	26	the	the	DET
admet-678	18	27	activation	activation	NOUN
admet-678	18	28	of	of	ADP
admet-678	18	29	procarcinogenic	procarcinogenic	ADJ
admet-678	18	30	nitrosamines	nitrosamine	NOUN
admet-678	18	31	,	,	PUNCT
admet-678	18	32	especially	especially	ADV
admet-678	18	33	those	those	PRON
admet-678	18	34	present	present	ADJ
admet-678	18	35	in	in	ADP
admet-678	18	36	tobacco	tobacco	NOUN
admet-678	18	37	smoke	smoke	NOUN
admet-678	18	38	[	[	X
admet-678	18	39	14	14	NUM
admet-678	18	40	]	]	PUNCT
admet-678	18	41	.	.	PUNCT
admet-678	19	1	on	on	ADP
admet-678	19	2	the	the	DET
admet-678	19	3	other	other	ADJ
admet-678	19	4	side	side	NOUN
admet-678	19	5	,	,	PUNCT
admet-678	19	6	nicotine	nicotine	NOUN
admet-678	19	7	is	be	AUX
admet-678	19	8	the	the	DET
admet-678	19	9	essential	essential	ADJ
admet-678	19	10	component	component	NOUN
admet-678	19	11	that	that	PRON
admet-678	19	12	causes	cause	VERB
admet-678	19	13	tobacco	tobacco	NOUN
admet-678	19	14	dependence	dependence	NOUN
admet-678	19	15	.	.	PUNCT
admet-678	20	1	the	the	DET
admet-678	20	2	pharmacological	pharmacological	NOUN
admet-678	20	3	,	,	PUNCT
admet-678	20	4	as	as	ADV
admet-678	20	5	well	well	ADV
admet-678	20	6	as	as	ADP
admet-678	20	7	,	,	PUNCT
admet-678	20	8	physiological	physiological	ADJ
admet-678	20	9	effects	effect	NOUN
admet-678	20	10	of	of	ADP
admet-678	20	11	smoking	smoking	NOUN
admet-678	20	12	are	be	AUX
admet-678	20	13	due	due	ADJ
admet-678	20	14	to	to	ADP
admet-678	20	15	this	this	DET
admet-678	20	16	alkaloid	alkaloid	NOUN
admet-678	20	17	.	.	PUNCT
admet-678	21	1	pulmonary	pulmonary	ADJ
admet-678	21	2	absorption	absorption	NOUN
admet-678	21	3	of	of	ADP
admet-678	21	4	nicotine	nicotine	NOUN
admet-678	21	5	is	be	AUX
admet-678	21	6	extremely	extremely	ADV
admet-678	21	7	rapid	rapid	ADJ
admet-678	21	8	,	,	PUNCT
admet-678	21	9	and	and	CCONJ
admet-678	21	10	once	once	SCONJ
admet-678	21	11	it	it	PRON
admet-678	21	12	is	be	AUX
admet-678	21	13	absorbed	absorb	VERB
admet-678	21	14	,	,	PUNCT
admet-678	21	15	it	it	PRON
admet-678	21	16	is	be	AUX
admet-678	21	17	rapidly	rapidly	ADV
admet-678	21	18	and	and	CCONJ
admet-678	21	19	extensively	extensively	ADV
admet-678	21	20	metabolized	metabolize	VERB
admet-678	21	21	and	and	CCONJ
admet-678	21	22	eliminated	eliminate	VERB
admet-678	21	23	through	through	ADP
admet-678	21	24	urine	urine	NOUN
admet-678	21	25	.	.	PUNCT
admet-678	22	1	in	in	ADP
admet-678	22	2	general	general	ADJ
admet-678	22	3	,	,	PUNCT
admet-678	22	4	70	70	NUM
admet-678	22	5	-	-	SYM
admet-678	22	6	80	80	NUM
admet-678	22	7	%	%	NOUN
admet-678	22	8	of	of	ADP
admet-678	22	9	its	its	PRON
admet-678	22	10	biotransformation	biotransformation	NOUN
admet-678	22	11	consists	consist	VERB
admet-678	22	12	mainly	mainly	ADV
admet-678	22	13	in	in	ADP
admet-678	22	14	the	the	DET
admet-678	22	15	oxidation	oxidation	NOUN
admet-678	22	16	of	of	ADP
admet-678	22	17	(	(	PUNCT
admet-678	22	18	-)-nicotine	-)-nicotine	NOUN
admet-678	22	19	to	to	PART
admet-678	22	20	form	form	VERB
admet-678	22	21	(	(	PUNCT
admet-678	22	22	-)-cotinine	-)-cotinine	NOUN
admet-678	22	23	mediated	mediate	VERB
admet-678	22	24	by	by	ADP
admet-678	22	25	cyp2a6	cyp2a6	PROPN
admet-678	22	26	.	.	PUNCT
admet-678	23	1	nicotine	nicotine	PROPN
admet-678	23	2	is	be	AUX
admet-678	23	3	also	also	ADV
admet-678	23	4	metabolized	metabolize	VERB
admet-678	23	5	to	to	ADP
admet-678	23	6	nornicotine	nornicotine	ADJ
admet-678	23	7	,	,	PUNCT
admet-678	23	8	via	via	ADP
admet-678	23	9	ndemethylation	ndemethylation	NOUN
admet-678	23	10	.	.	PUNCT
admet-678	24	1	in	in	ADP
admet-678	24	2	humans	human	NOUN
admet-678	24	3	,	,	PUNCT
admet-678	24	4	2	2	NUM
admet-678	24	5	-	-	SYM
admet-678	24	6	3	3	NUM
admet-678	24	7	%	%	NOUN
admet-678	24	8	of	of	ADP
admet-678	24	9	nicotine	nicotine	NOUN
admet-678	24	10	is	be	AUX
admet-678	24	11	excreted	excrete	VERB
admet-678	24	12	as	as	ADP
admet-678	24	13	nornicotine	nornicotine	ADJ
admet-678	24	14	in	in	ADP
admet-678	24	15	24	24	NUM
admet-678	24	16	h	h	NOUN
admet-678	24	17	urine	urine	NOUN
admet-678	24	18	[	[	X
admet-678	24	19	5,20,21	5,20,21	NUM
admet-678	24	20	]	]	PUNCT
admet-678	24	21	.	.	PUNCT
admet-678	25	1	several	several	ADJ
admet-678	25	2	nicotine	nicotine	ADJ
admet-678	25	3	preparations	preparation	NOUN
admet-678	25	4	have	have	AUX
admet-678	25	5	been	be	AUX
admet-678	25	6	developed	develop	VERB
admet-678	25	7	as	as	ADP
admet-678	25	8	a	a	DET
admet-678	25	9	medication	medication	NOUN
admet-678	25	10	to	to	PART
admet-678	25	11	assist	assist	VERB
admet-678	25	12	in	in	ADP
admet-678	25	13	smoking	smoking	NOUN
admet-678	25	14	cessation	cessation	NOUN
admet-678	25	15	;	;	PUNCT
admet-678	25	16	also	also	ADV
admet-678	25	17	other	other	ADJ
admet-678	25	18	therapies	therapy	NOUN
admet-678	25	19	and	and	CCONJ
admet-678	25	20	treatments	treatment	NOUN
admet-678	25	21	have	have	AUX
admet-678	25	22	been	be	AUX
admet-678	25	23	proposed	propose	VERB
admet-678	25	24	to	to	PART
admet-678	25	25	reduce	reduce	VERB
admet-678	25	26	tobacco	tobacco	NOUN
admet-678	25	27	consumption	consumption	NOUN
admet-678	25	28	,	,	PUNCT
admet-678	25	29	among	among	ADP
admet-678	25	30	them	they	PRON
admet-678	25	31	,	,	PUNCT
admet-678	25	32	we	we	PRON
admet-678	25	33	can	can	AUX
admet-678	25	34	name	name	VERB
admet-678	25	35	the	the	DET
admet-678	25	36	use	use	NOUN
admet-678	25	37	of	of	ADP
admet-678	25	38	nicotine	nicotine	NOUN
admet-678	25	39	patches	patch	NOUN
admet-678	25	40	,	,	PUNCT
admet-678	25	41	dopamine	dopamine	NOUN
admet-678	25	42	uptake	uptake	ADJ
admet-678	25	43	inhibitor	inhibitor	NOUN
admet-678	25	44	(	(	PUNCT
admet-678	25	45	bupropion	bupropion	NOUN
admet-678	25	46	)	)	PUNCT
admet-678	25	47	,	,	PUNCT
admet-678	25	48	consumption	consumption	NOUN
admet-678	25	49	of	of	ADP
admet-678	25	50	tricyclic	tricyclic	ADJ
admet-678	25	51	antidepressants	antidepressant	NOUN
admet-678	25	52	and	and	CCONJ
admet-678	25	53	buspirone	buspirone	PROPN
admet-678	25	54	anxiolytic	anxiolytic	NOUN
admet-678	25	55	.	.	PUNCT
admet-678	26	1	however	however	ADV
admet-678	26	2	,	,	PUNCT
admet-678	26	3	the	the	DET
admet-678	26	4	previous	previous	ADJ
admet-678	26	5	therapies	therapy	NOUN
admet-678	26	6	are	be	AUX
admet-678	26	7	of	of	ADP
admet-678	26	8	limited	limited	ADJ
admet-678	26	9	use	use	NOUN
admet-678	26	10	because	because	SCONJ
admet-678	26	11	of	of	ADP
admet-678	26	12	the	the	DET
admet-678	26	13	secondary	secondary	ADJ
admet-678	26	14	effects	effect	NOUN
admet-678	26	15	that	that	PRON
admet-678	26	16	come	come	VERB
admet-678	26	17	with	with	ADP
admet-678	26	18	them	they	PRON
admet-678	26	19	and	and	CCONJ
admet-678	26	20	due	due	ADP
admet-678	26	21	to	to	ADP
admet-678	26	22	a	a	DET
admet-678	26	23	low	low	ADJ
admet-678	26	24	proven	prove	VERB
admet-678	26	25	success	success	NOUN
admet-678	26	26	(	(	PUNCT
admet-678	26	27	below	below	ADP
admet-678	26	28	40	40	NUM
admet-678	26	29	%	%	NOUN
admet-678	26	30	)	)	PUNCT
admet-678	26	31	,	,	PUNCT
admet-678	26	32	for	for	ADP
admet-678	26	33	this	this	DET
admet-678	26	34	reasons	reason	NOUN
admet-678	26	35	alternative	alternative	ADJ
admet-678	26	36	treatments	treatment	NOUN
admet-678	26	37	are	be	AUX
admet-678	26	38	encouraged	encourage	VERB
admet-678	26	39	[	[	PUNCT
admet-678	26	40	22	22	NUM
admet-678	26	41	]	]	PUNCT
admet-678	26	42	.	.	PUNCT
admet-678	27	1	with	with	ADP
admet-678	27	2	this	this	DET
admet-678	27	3	goal	goal	NOUN
admet-678	27	4	,	,	PUNCT
admet-678	27	5	several	several	ADJ
admet-678	27	6	investigations	investigation	NOUN
admet-678	27	7	have	have	AUX
admet-678	27	8	shown	show	VERB
admet-678	27	9	that	that	SCONJ
admet-678	27	10	the	the	DET
admet-678	27	11	inhibition	inhibition	NOUN
admet-678	27	12	of	of	ADP
admet-678	27	13	cyp2a6	cyp2a6	NOUN
admet-678	27	14	by	by	ADP
admet-678	27	15	different	different	ADJ
admet-678	27	16	chemical	chemical	NOUN
admet-678	27	17	compounds	compound	NOUN
admet-678	27	18	may	may	AUX
admet-678	27	19	represent	represent	VERB
admet-678	27	20	a	a	DET
admet-678	27	21	potential	potential	ADJ
admet-678	27	22	supplement	supplement	NOUN
admet-678	27	23	to	to	ADP
admet-678	27	24	antismoking	antismoke	VERB
admet-678	27	25	therapy	therapy	NOUN
admet-678	27	26	[	[	X
admet-678	27	27	12	12	NUM
admet-678	27	28	]	]	PUNCT
admet-678	27	29	.	.	PUNCT
admet-678	28	1	the	the	DET
admet-678	28	2	efficiency	efficiency	NOUN
admet-678	28	3	of	of	ADP
admet-678	28	4	cyp2a6	cyp2a6	NOUN
admet-678	28	5	-	-	PUNCT
admet-678	28	6	mediated	mediate	VERB
admet-678	28	7	biotransformation	biotransformation	NOUN
admet-678	28	8	of	of	ADP
admet-678	28	9	nicotine	nicotine	NOUN
admet-678	28	10	is	be	AUX
admet-678	28	11	associated	associate	VERB
admet-678	28	12	with	with	ADP
admet-678	28	13	nicotine	nicotine	ADJ
admet-678	28	14	blood	blood	NOUN
admet-678	28	15	levels	level	NOUN
admet-678	28	16	for	for	ADP
admet-678	28	17	keeping	keep	VERB
admet-678	28	18	the	the	DET
admet-678	28	19	addiction	addiction	NOUN
admet-678	28	20	liability	liability	NOUN
admet-678	28	21	.	.	PUNCT
admet-678	29	1	potent	potent	ADJ
admet-678	29	2	and	and	CCONJ
admet-678	29	3	specific	specific	ADJ
admet-678	29	4	inhibitors	inhibitor	NOUN
admet-678	29	5	of	of	ADP
admet-678	29	6	cyp2a6	cyp2a6	NOUN
admet-678	29	7	might	might	AUX
admet-678	29	8	increase	increase	VERB
admet-678	29	9	nicotine	nicotine	VERB
admet-678	29	10	half	half	ADJ
admet-678	29	11	-	-	PUNCT
admet-678	29	12	life	life	NOUN
admet-678	29	13	elimination	elimination	NOUN
admet-678	29	14	time	time	NOUN
admet-678	29	15	.	.	PUNCT
admet-678	30	1	consequently	consequently	ADV
admet-678	30	2	,	,	PUNCT
admet-678	30	3	the	the	DET
admet-678	30	4	inhibition	inhibition	NOUN
admet-678	30	5	of	of	ADP
admet-678	30	6	cyp2a6	cyp2a6	NOUN
admet-678	30	7	results	result	NOUN
admet-678	30	8	in	in	ADP
admet-678	30	9	a	a	DET
admet-678	30	10	diminished	diminished	ADJ
admet-678	30	11	desire	desire	NOUN
admet-678	30	12	to	to	PART
admet-678	30	13	smoke	smoke	VERB
admet-678	30	14	and	and	CCONJ
admet-678	30	15	a	a	DET
admet-678	30	16	reduced	reduced	ADJ
admet-678	30	17	consumption	consumption	NOUN
admet-678	30	18	of	of	ADP
admet-678	30	19	toxic	toxic	ADJ
admet-678	30	20	or	or	CCONJ
admet-678	30	21	carcinogenic	carcinogenic	ADJ
admet-678	30	22	components	component	NOUN
admet-678	30	23	of	of	ADP
admet-678	30	24	cigarette	cigarette	NOUN
admet-678	30	25	smoke	smoke	NOUN
admet-678	30	26	[	[	X
admet-678	30	27	17	17	NUM
admet-678	30	28	]	]	PUNCT
admet-678	30	29	.	.	PUNCT
admet-678	31	1	moreover	moreover	ADV
admet-678	31	2	,	,	PUNCT
admet-678	31	3	the	the	DET
admet-678	31	4	administration	administration	NOUN
admet-678	31	5	of	of	ADP
admet-678	31	6	chemicals	chemical	NOUN
admet-678	31	7	that	that	PRON
admet-678	31	8	strongly	strongly	ADV
admet-678	31	9	and	and	CCONJ
admet-678	31	10	specifically	specifically	ADV
admet-678	31	11	inhibit	inhibit	VERB
admet-678	31	12	the	the	DET
admet-678	31	13	cyp2a6	cyp2a6	NOUN
admet-678	31	14	activity	activity	NOUN
admet-678	31	15	might	might	AUX
admet-678	31	16	also	also	ADV
admet-678	31	17	result	result	VERB
admet-678	31	18	in	in	ADP
admet-678	31	19	a	a	DET
admet-678	31	20	reduction	reduction	NOUN
admet-678	31	21	of	of	ADP
admet-678	31	22	mutagens	mutagen	NOUN
admet-678	31	23	in	in	ADP
admet-678	31	24	the	the	DET
admet-678	31	25	body	body	NOUN
admet-678	31	26	,	,	PUNCT
admet-678	31	27	since	since	SCONJ
admet-678	31	28	the	the	DET
admet-678	31	29	n	n	CCONJ
admet-678	31	30	-	-	PUNCT
admet-678	31	31	nitrosamines	nitrosamine	NOUN
admet-678	31	32	activation	activation	NOUN
admet-678	31	33	does	do	AUX
admet-678	31	34	not	not	PART
admet-678	31	35	occur	occur	VERB
admet-678	31	36	when	when	SCONJ
admet-678	31	37	this	this	DET
admet-678	31	38	enzyme	enzyme	NOUN
admet-678	31	39	is	be	AUX
admet-678	31	40	altered	alter	VERB
admet-678	31	41	[	[	PUNCT
admet-678	31	42	5	5	NUM
admet-678	31	43	]	]	PUNCT
admet-678	31	44	.	.	PUNCT
admet-678	32	1	numerous	numerous	ADJ
admet-678	32	2	compounds	compound	NOUN
admet-678	32	3	have	have	AUX
admet-678	32	4	been	be	AUX
admet-678	32	5	proposed	propose	VERB
admet-678	32	6	and	and	CCONJ
admet-678	32	7	tested	test	VERB
admet-678	32	8	as	as	ADP
admet-678	32	9	cyp2a6	cyp2a6	NOUN
admet-678	32	10	inhibitors	inhibitor	NOUN
admet-678	32	11	,	,	PUNCT
admet-678	32	12	among	among	ADP
admet-678	32	13	them	they	PRON
admet-678	32	14	methoxsalen	methoxsalen	ADJ
admet-678	32	15	,	,	PUNCT
admet-678	32	16	(	(	PUNCT
admet-678	32	17	r)-(+)-menthofuran	r)-(+)-menthofuran	ADJ
admet-678	32	18	,	,	PUNCT
admet-678	32	19	and	and	CCONJ
admet-678	32	20	tranylcypromine	tranylcypromine	NOUN
admet-678	32	21	can	can	AUX
admet-678	32	22	be	be	AUX
admet-678	32	23	mentioned	mention	VERB
admet-678	32	24	.	.	PUNCT
admet-678	33	1	even	even	ADV
admet-678	33	2	though	though	SCONJ
admet-678	33	3	they	they	PRON
admet-678	33	4	have	have	AUX
admet-678	33	5	shown	show	VERB
admet-678	33	6	strong	strong	ADJ
admet-678	33	7	inhibitory	inhibitory	ADJ
admet-678	33	8	effects	effect	NOUN
admet-678	33	9	,	,	PUNCT
admet-678	33	10	methoxsalen	methoxsalen	ADJ
admet-678	33	11	and	and	CCONJ
admet-678	33	12	tranylcypromine	tranylcypromine	NOUN
admet-678	33	13	also	also	ADV
admet-678	33	14	inhibited	inhibit	VERB
admet-678	33	15	other	other	ADJ
admet-678	33	16	forms	form	NOUN
admet-678	33	17	of	of	ADP
admet-678	33	18	cyp	cyp	ADJ
admet-678	33	19	[	[	X
admet-678	33	20	5	5	NUM
admet-678	33	21	]	]	PUNCT
admet-678	33	22	.	.	PUNCT
admet-678	34	1	on	on	ADP
admet-678	34	2	the	the	DET
admet-678	34	3	other	other	ADJ
admet-678	34	4	hand	hand	NOUN
admet-678	34	5	,	,	PUNCT
admet-678	34	6	in	in	ADP
admet-678	34	7	silico	silico	NOUN
admet-678	34	8	studies	study	NOUN
admet-678	34	9	,	,	PUNCT
admet-678	34	10	such	such	ADJ
admet-678	34	11	as	as	ADP
admet-678	34	12	qsar	qsar	NOUN
admet-678	34	13	models	model	NOUN
admet-678	34	14	,	,	PUNCT
admet-678	34	15	serve	serve	VERB
admet-678	34	16	to	to	PART
admet-678	34	17	predict	predict	VERB
admet-678	34	18	and	and	CCONJ
admet-678	34	19	explain	explain	VERB
admet-678	34	20	molecular	molecular	ADJ
admet-678	34	21	properties	property	NOUN
admet-678	34	22	and/or	and/or	CCONJ
admet-678	34	23	biological	biological	ADJ
admet-678	34	24	activities	activity	NOUN
admet-678	34	25	from	from	ADP
admet-678	34	26	the	the	DET
admet-678	34	27	structure	structure	NOUN
admet-678	34	28	of	of	ADP
admet-678	34	29	chemical	chemical	ADJ
admet-678	34	30	compounds	compound	NOUN
admet-678	34	31	reducing	reduce	VERB
admet-678	34	32	the	the	DET
admet-678	34	33	number	number	NOUN
admet-678	34	34	of	of	ADP
admet-678	34	35	tests	test	NOUN
admet-678	34	36	,	,	PUNCT
admet-678	34	37	thereby	thereby	ADV
admet-678	34	38	resulting	result	VERB
admet-678	34	39	in	in	ADP
admet-678	34	40	a	a	DET
admet-678	34	41	quick	quick	ADJ
admet-678	34	42	and	and	CCONJ
admet-678	34	43	simple	simple	ADJ
admet-678	34	44	alternative	alternative	NOUN
admet-678	34	45	for	for	ADP
admet-678	34	46	designing	design	VERB
admet-678	34	47	new	new	ADJ
admet-678	34	48	drugs	drug	NOUN
admet-678	34	49	with	with	ADP
admet-678	34	50	a	a	DET
admet-678	34	51	desirable	desirable	ADJ
admet-678	34	52	effect	effect	NOUN
admet-678	34	53	.	.	PUNCT
admet-678	35	1	in	in	ADP
admet-678	35	2	this	this	DET
admet-678	35	3	sense	sense	NOUN
admet-678	35	4	,	,	PUNCT
admet-678	35	5	some	some	DET
admet-678	35	6	authors	author	NOUN
admet-678	35	7	have	have	AUX
admet-678	35	8	carried	carry	VERB
admet-678	35	9	out	out	ADP
admet-678	35	10	in	in	ADP
admet-678	35	11	silico	silico	NOUN
admet-678	35	12	studies	study	NOUN
admet-678	35	13	to	to	PART
admet-678	35	14	predict	predict	VERB
admet-678	35	15	selective	selective	ADJ
admet-678	35	16	cyp2a6	cyp2a6	NOUN
admet-678	35	17	inhibitors	inhibitor	NOUN
admet-678	35	18	based	base	VERB
admet-678	35	19	on	on	ADP
admet-678	35	20	a	a	DET
admet-678	35	21	series	series	NOUN
admet-678	35	22	of	of	ADP
admet-678	35	23	nicotine	nicotine	ADJ
admet-678	35	24	derivatives	derivative	NOUN
admet-678	35	25	[	[	X
admet-678	35	26	17	17	NUM
admet-678	35	27	]	]	PUNCT
admet-678	35	28	,	,	PUNCT
admet-678	35	29	naphthalene	naphthalene	NOUN
admet-678	35	30	and	and	CCONJ
admet-678	35	31	non	non	ADJ
admet-678	35	32	-	-	ADJ
admet-678	35	33	naphthalene	naphthalene	ADJ
admet-678	35	34	derivatives	derivative	NOUN
admet-678	35	35	[	[	X
admet-678	35	36	11,15	11,15	NUM
admet-678	35	37	]	]	X
admet-678	35	38	,	,	PUNCT
admet-678	35	39	or	or	CCONJ
admet-678	35	40	based	base	VERB
admet-678	35	41	on	on	ADP
admet-678	35	42	virtual	virtual	ADJ
admet-678	35	43	screening	screening	NOUN
admet-678	35	44	of	of	ADP
admet-678	35	45	a	a	DET
admet-678	35	46	large	large	ADJ
admet-678	35	47	number	number	NOUN
admet-678	35	48	of	of	ADP
admet-678	35	49	compounds	compound	NOUN
admet-678	35	50	[	[	X
admet-678	35	51	13	13	NUM
admet-678	35	52	]	]	PUNCT
admet-678	35	53	.	.	PUNCT
admet-678	36	1	to	to	ADP
admet-678	36	2	date	date	NOUN
admet-678	36	3	,	,	PUNCT
admet-678	36	4	all	all	DET
admet-678	36	5	the	the	DET
admet-678	36	6	studied	study	VERB
admet-678	36	7	in	in	ADP
admet-678	36	8	silico	silico	NOUN
admet-678	36	9	inhibitors	inhibitor	NOUN
admet-678	36	10	are	be	AUX
admet-678	36	11	from	from	ADP
admet-678	36	12	synthetic	synthetic	ADJ
admet-678	36	13	origin	origin	NOUN
admet-678	36	14	.	.	PUNCT
admet-678	37	1	however	however	ADV
admet-678	37	2	,	,	PUNCT
admet-678	37	3	it	it	PRON
admet-678	37	4	has	have	AUX
admet-678	37	5	been	be	AUX
admet-678	37	6	proved	prove	VERB
admet-678	37	7	that	that	SCONJ
admet-678	37	8	some	some	DET
admet-678	37	9	sulfide	sulfide	NOUN
admet-678	37	10	and	and	CCONJ
admet-678	37	11	disulfide	disulfide	NOUN
admet-678	37	12	compounds	compound	NOUN
admet-678	37	13	present	present	ADJ
admet-678	37	14	in	in	ADP
admet-678	37	15	allium	allium	NOUN
admet-678	37	16	vegetables	vegetable	NOUN
admet-678	37	17	,	,	PUNCT
admet-678	37	18	inhibit	inhibit	VERB
admet-678	37	19	cyp	cyp	ADJ
admet-678	37	20	activity	activity	NOUN
admet-678	37	21	.	.	PUNCT
admet-678	38	1	in	in	ADP
admet-678	38	2	this	this	DET
admet-678	38	3	sense	sense	NOUN
admet-678	38	4	,	,	PUNCT
admet-678	38	5	the	the	DET
admet-678	38	6	anticarcinogenic	anticarcinogenic	ADJ
admet-678	38	7	and	and	CCONJ
admet-678	38	8	antitumorigenic	antitumorigenic	ADJ
admet-678	38	9	effects	effect	NOUN
admet-678	38	10	of	of	ADP
admet-678	38	11	garlic	garlic	NOUN
admet-678	38	12	in	in	ADP
admet-678	38	13	rodents	rodent	NOUN
admet-678	38	14	have	have	AUX
admet-678	38	15	been	be	AUX
admet-678	38	16	attributed	attribute	VERB
admet-678	38	17	to	to	ADP
admet-678	38	18	modulation	modulation	NOUN
admet-678	38	19	of	of	ADP
admet-678	38	20	cyp	cyp	ADJ
admet-678	38	21	activity	activity	NOUN
admet-678	38	22	for	for	ADP
admet-678	38	23	some	some	DET
admet-678	38	24	oscs	osc	NOUN
admet-678	38	25	such	such	ADJ
admet-678	38	26	as	as	ADP
admet-678	38	27	diallyl	diallyl	NOUN
admet-678	38	28	sulfide	sulfide	NOUN
admet-678	38	29	(	(	PUNCT
admet-678	38	30	das	das	PROPN
admet-678	38	31	)	)	PUNCT
admet-678	38	32	,	,	PUNCT
admet-678	38	33	diallyl	diallyl	NOUN
admet-678	38	34	disulfide	disulfide	NOUN
admet-678	38	35	(	(	PUNCT
admet-678	38	36	dads	dad	NOUN
admet-678	38	37	)	)	PUNCT
admet-678	38	38	and	and	CCONJ
admet-678	38	39	allyl	allyl	ADJ
admet-678	38	40	methyl	methyl	NOUN
admet-678	38	41	sulfide	sulfide	NOUN
admet-678	38	42	(	(	PUNCT
admet-678	38	43	ams	am	NOUN
admet-678	38	44	)	)	PUNCT
admet-678	39	1	[	[	X
admet-678	39	2	7,16	7,16	NOUN
admet-678	39	3	]	]	X
admet-678	39	4	.	.	PUNCT
admet-678	40	1	fujita	fujita	PROPN
admet-678	40	2	and	and	CCONJ
admet-678	40	3	kamataki	kamataki	PROPN
admet-678	40	4	,	,	PUNCT
admet-678	40	5	(	(	PUNCT
admet-678	40	6	2001	2001	NUM
admet-678	40	7	)	)	PUNCT
admet-678	41	1	[	[	X
admet-678	41	2	5	5	NUM
admet-678	41	3	]	]	PUNCT
admet-678	41	4	studied	study	VERB
admet-678	41	5	the	the	DET
admet-678	41	6	inhibition	inhibition	NOUN
admet-678	41	7	of	of	ADP
admet-678	41	8	cyp2a6	cyp2a6	NOUN
admet-678	41	9	by	by	ADP
admet-678	41	10	determining	determine	VERB
admet-678	41	11	the	the	DET
admet-678	41	12	ability	ability	NOUN
admet-678	41	13	of	of	ADP
admet-678	41	14	22	22	NUM
admet-678	41	15	organosulfur	organosulfur	NOUN
admet-678	41	16	compounds	compound	NOUN
admet-678	41	17	to	to	PART
admet-678	41	18	inhibit	inhibit	VERB
admet-678	41	19	coumarin	coumarin	NOUN
admet-678	41	20	7hydroxylase	7hydroxylase	NUM
admet-678	41	21	activity	activity	NOUN
admet-678	41	22	.	.	PUNCT
admet-678	42	1	based	base	VERB
admet-678	42	2	on	on	ADP
admet-678	42	3	these	these	DET
admet-678	42	4	experimental	experimental	ADJ
admet-678	42	5	values	value	NOUN
admet-678	42	6	,	,	PUNCT
admet-678	42	7	we	we	PRON
admet-678	42	8	carried	carry	VERB
admet-678	42	9	out	out	ADP
admet-678	42	10	a	a	DET
admet-678	42	11	quantitative	quantitative	ADJ
admet-678	42	12	structure	structure	NOUN
admet-678	42	13	-	-	PUNCT
admet-678	42	14	activity	activity	NOUN
admet-678	42	15	relationship	relationship	NOUN
admet-678	42	16	(	(	PUNCT
admet-678	42	17	qsar	qsar	NOUN
admet-678	42	18	)	)	PUNCT
admet-678	42	19	analysis	analysis	NOUN
admet-678	42	20	to	to	PART
admet-678	42	21	evaluate	evaluate	VERB
admet-678	42	22	these	these	DET
admet-678	42	23	inhibitors	inhibitor	NOUN
admet-678	42	24	-	-	PUNCT
admet-678	42	25	enzyme	enzyme	NOUN
admet-678	42	26	interactions	interaction	NOUN
admet-678	42	27	in	in	ADP
admet-678	42	28	order	order	NOUN
admet-678	42	29	to	to	PART
admet-678	42	30	obtain	obtain	VERB
admet-678	42	31	a	a	DET
admet-678	42	32	wider	wide	ADJ
admet-678	42	33	vision	vision	NOUN
admet-678	42	34	into	into	ADP
admet-678	42	35	the	the	DET
admet-678	42	36	mechanisms	mechanism	NOUN
admet-678	42	37	involved	involve	VERB
admet-678	42	38	.	.	PUNCT
admet-678	43	1	in	in	ADP
admet-678	43	2	turn	turn	NOUN
admet-678	43	3	,	,	PUNCT
admet-678	43	4	a	a	DET
admet-678	43	5	potential	potential	ADJ
admet-678	43	6	selective	selective	ADJ
admet-678	43	7	inhibitor	inhibitor	NOUN
admet-678	43	8	of	of	ADP
admet-678	43	9	cyp2a6	cyp2a6	PROPN
admet-678	43	10	based	base	VERB
admet-678	43	11	on	on	ADP
admet-678	43	12	naturally	naturally	ADV
admet-678	43	13	occurring	occur	VERB
admet-678	43	14	compounds	compound	NOUN
admet-678	43	15	can	can	AUX
admet-678	43	16	be	be	AUX
admet-678	43	17	proposed	propose	VERB
admet-678	43	18	.	.	PUNCT
admet-678	44	1	the	the	DET
admet-678	44	2	reported	report	VERB
admet-678	44	3	activity	activity	NOUN
admet-678	44	4	data	datum	NOUN
admet-678	44	5	were	be	AUX
admet-678	44	6	modeled	model	VERB
admet-678	44	7	by	by	ADP
admet-678	44	8	means	mean	NOUN
admet-678	44	9	of	of	ADP
admet-678	44	10	multiple	multiple	ADJ
admet-678	44	11	d.a	d.a	PROPN
admet-678	44	12	.	.	PROPN
admet-678	44	13	ramirez	ramirez	PROPN
admet-678	44	14	et	et	PROPN
admet-678	44	15	al	al	PROPN
admet-678	44	16	.	.	PROPN
admet-678	44	17	admet	admet	PROPN
admet-678	44	18	&	&	CCONJ
admet-678	44	19	dmpk	dmpk	PROPN
admet-678	44	20	7(3	7(3	NUM
admet-678	44	21	)	)	PUNCT
admet-678	44	22	(	(	PUNCT
admet-678	44	23	2019	2019	NUM
admet-678	44	24	)	)	PUNCT
admet-678	44	25	196	196	NUM
admet-678	44	26	-	-	SYM
admet-678	44	27	209	209	NUM
admet-678	44	28	198	198	NUM
admet-678	44	29	regression	regression	NOUN
admet-678	44	30	analysis	analysis	NOUN
admet-678	44	31	(	(	PUNCT
admet-678	44	32	mlr	mlr	NOUN
admet-678	44	33	)	)	PUNCT
admet-678	44	34	and	and	CCONJ
admet-678	44	35	partial	partial	ADJ
admet-678	44	36	least	least	ADJ
admet-678	44	37	-	-	PUNCT
admet-678	44	38	squares	square	NOUN
admet-678	44	39	(	(	PUNCT
admet-678	44	40	pls	pls	INTJ
admet-678	44	41	)	)	PUNCT
admet-678	44	42	techniques	technique	NOUN
admet-678	44	43	.	.	PUNCT
admet-678	45	1	for	for	ADP
admet-678	45	2	the	the	DET
admet-678	45	3	quantitative	quantitative	ADJ
admet-678	45	4	description	description	NOUN
admet-678	45	5	of	of	ADP
admet-678	45	6	the	the	DET
admet-678	45	7	analyzed	analyze	VERB
admet-678	45	8	structures	structure	NOUN
admet-678	45	9	,	,	PUNCT
admet-678	45	10	different	different	ADJ
admet-678	45	11	quantum	quantum	ADJ
admet-678	45	12	chemical	chemical	NOUN
admet-678	45	13	indices	index	NOUN
admet-678	45	14	(	(	PUNCT
admet-678	45	15	am1	am1	PROPN
admet-678	45	16	)	)	PUNCT
admet-678	45	17	and	and	CCONJ
admet-678	45	18	physicochemical	physicochemical	ADJ
admet-678	45	19	parameters	parameter	NOUN
admet-678	45	20	were	be	AUX
admet-678	45	21	calculated	calculate	VERB
admet-678	45	22	.	.	PUNCT
admet-678	46	1	non	non	ADJ
admet-678	46	2	-	-	ADJ
admet-678	46	3	empirical	empirical	ADJ
admet-678	46	4	descriptors	descriptor	NOUN
admet-678	46	5	,	,	PUNCT
admet-678	46	6	such	such	ADJ
admet-678	46	7	as	as	ADP
admet-678	46	8	topological	topological	ADJ
admet-678	46	9	and	and	CCONJ
admet-678	46	10	geometrical	geometrical	ADJ
admet-678	46	11	,	,	PUNCT
admet-678	46	12	were	be	AUX
admet-678	46	13	also	also	ADV
admet-678	46	14	used	use	VERB
admet-678	46	15	as	as	ADP
admet-678	46	16	descriptive	descriptive	ADJ
admet-678	46	17	variables	variable	NOUN
admet-678	46	18	.	.	PUNCT
admet-678	47	1	finally	finally	ADV
admet-678	47	2	,	,	PUNCT
admet-678	47	3	the	the	DET
admet-678	47	4	obtained	obtain	VERB
admet-678	47	5	results	result	NOUN
admet-678	47	6	provided	provide	VERB
admet-678	47	7	an	an	DET
admet-678	47	8	explanation	explanation	NOUN
admet-678	47	9	about	about	ADP
admet-678	47	10	which	which	PRON
admet-678	47	11	are	be	AUX
admet-678	47	12	the	the	DET
admet-678	47	13	main	main	ADJ
admet-678	47	14	features	feature	NOUN
admet-678	47	15	and	and	CCONJ
admet-678	47	16	parameters	parameter	NOUN
admet-678	47	17	of	of	ADP
admet-678	47	18	oscs	oscs	NOUN
admet-678	47	19	(	(	PUNCT
admet-678	47	20	lipophilicity	lipophilicity	NOUN
admet-678	47	21	,	,	PUNCT
admet-678	47	22	steric	steric	ADJ
admet-678	47	23	and	and	CCONJ
admet-678	47	24	electronic	electronic	ADJ
admet-678	47	25	features	feature	NOUN
admet-678	47	26	)	)	PUNCT
admet-678	47	27	that	that	PRON
admet-678	47	28	contribute	contribute	VERB
admet-678	47	29	to	to	ADP
admet-678	47	30	an	an	DET
admet-678	47	31	optimal	optimal	ADJ
admet-678	47	32	inhibitory	inhibitory	ADJ
admet-678	47	33	activity	activity	NOUN
admet-678	47	34	on	on	ADP
admet-678	47	35	cyp2a6	cyp2a6	PROPN
admet-678	47	36	.	.	PUNCT
admet-678	48	1	materials	material	NOUN
admet-678	48	2	and	and	CCONJ
admet-678	48	3	methods	method	NOUN
admet-678	48	4	biological	biological	ADJ
admet-678	48	5	and	and	CCONJ
admet-678	48	6	chemical	chemical	NOUN
admet-678	48	7	data	datum	NOUN
admet-678	48	8	the	the	DET
admet-678	48	9	chemical	chemical	NOUN
admet-678	48	10	structures	structure	NOUN
admet-678	48	11	along	along	ADP
admet-678	48	12	with	with	ADP
admet-678	48	13	observed	observed	ADJ
admet-678	48	14	activity	activity	NOUN
admet-678	48	15	data	datum	NOUN
admet-678	48	16	of	of	ADP
admet-678	48	17	the	the	DET
admet-678	48	18	compounds	compound	NOUN
admet-678	48	19	used	use	VERB
admet-678	48	20	in	in	ADP
admet-678	48	21	this	this	DET
admet-678	48	22	study	study	NOUN
admet-678	48	23	are	be	AUX
admet-678	48	24	shown	show	VERB
admet-678	48	25	in	in	ADP
admet-678	48	26	table	table	NOUN
admet-678	48	27	1	1	NUM
admet-678	48	28	.	.	PUNCT
admet-678	49	1	the	the	DET
admet-678	49	2	inhibitory	inhibitory	ADJ
admet-678	49	3	activity	activity	NOUN
admet-678	49	4	data	datum	NOUN
admet-678	49	5	on	on	ADP
admet-678	49	6	cyp2a6	cyp2a6	PROPN
admet-678	49	7	were	be	AUX
admet-678	49	8	obtained	obtain	VERB
admet-678	49	9	from	from	ADP
admet-678	49	10	fujita	fujita	PROPN
admet-678	49	11	and	and	CCONJ
admet-678	49	12	kamataki	kamataki	PROPN
admet-678	49	13	,	,	PUNCT
admet-678	49	14	(	(	PUNCT
admet-678	49	15	2001	2001	NUM
admet-678	49	16	)	)	PUNCT
admet-678	50	1	[	[	X
admet-678	50	2	5	5	NUM
admet-678	50	3	]	]	PUNCT
admet-678	50	4	,	,	PUNCT
admet-678	50	5	and	and	CCONJ
admet-678	50	6	it	it	PRON
admet-678	50	7	was	be	AUX
admet-678	50	8	expressed	express	VERB
admet-678	50	9	as	as	ADP
admet-678	50	10	percentage	percentage	NOUN
admet-678	50	11	of	of	ADP
admet-678	50	12	residual	residual	ADJ
admet-678	50	13	activity	activity	NOUN
admet-678	50	14	(	(	PUNCT
admet-678	50	15	ra%	ra%	NOUN
admet-678	50	16	)	)	PUNCT
admet-678	50	17	when	when	SCONJ
admet-678	50	18	using	use	VERB
admet-678	50	19	10	10	NUM
admet-678	50	20	µm	µm	NOUN
admet-678	50	21	of	of	ADP
admet-678	50	22	each	each	DET
admet-678	50	23	inhibitor	inhibitor	NOUN
admet-678	50	24	and	and	CCONJ
admet-678	50	25	2.5	2.5	NUM
admet-678	50	26	µm	µm	NOUN
admet-678	50	27	of	of	ADP
admet-678	50	28	coumarin	coumarin	NOUN
admet-678	50	29	.	.	PUNCT
admet-678	51	1	in	in	ADP
admet-678	51	2	order	order	NOUN
admet-678	51	3	to	to	PART
admet-678	51	4	evaluate	evaluate	VERB
admet-678	51	5	whether	whether	SCONJ
admet-678	51	6	the	the	DET
admet-678	51	7	biological	biological	ADJ
admet-678	51	8	data	datum	NOUN
admet-678	51	9	comes	come	VERB
admet-678	51	10	from	from	ADP
admet-678	51	11	a	a	DET
admet-678	51	12	normal	normal	ADJ
admet-678	51	13	distribution	distribution	NOUN
admet-678	51	14	,	,	PUNCT
admet-678	51	15	the	the	DET
admet-678	51	16	standardized	standardized	ADJ
admet-678	51	17	skewness	skewness	NOUN
admet-678	51	18	and	and	CCONJ
admet-678	51	19	kurtosis	kurtosis	VERB
admet-678	51	20	values	value	NOUN
admet-678	51	21	were	be	AUX
admet-678	51	22	calculated	calculate	VERB
admet-678	51	23	for	for	ADP
admet-678	51	24	ra%	ra%	NOUN
admet-678	51	25	(	(	PUNCT
admet-678	51	26	n=22	n=22	PROPN
admet-678	51	27	)	)	PUNCT
admet-678	51	28	.	.	PUNCT
admet-678	52	1	structural	structural	ADJ
admet-678	52	2	descriptors	descriptor	VERB
admet-678	52	3	a	a	DET
admet-678	52	4	set	set	NOUN
admet-678	52	5	of	of	ADP
admet-678	52	6	molecular	molecular	ADJ
admet-678	52	7	descriptors	descriptor	NOUN
admet-678	52	8	were	be	AUX
admet-678	52	9	calculated	calculate	VERB
admet-678	52	10	to	to	PART
admet-678	52	11	characterize	characterize	VERB
admet-678	52	12	the	the	DET
admet-678	52	13	compounds	compound	NOUN
admet-678	52	14	under	under	ADP
admet-678	52	15	study	study	NOUN
admet-678	52	16	.	.	PUNCT
admet-678	53	1	as	as	ADP
admet-678	53	2	for	for	ADP
admet-678	53	3	indicators	indicator	NOUN
admet-678	53	4	of	of	ADP
admet-678	53	5	molecular	molecular	ADJ
admet-678	53	6	size	size	NOUN
admet-678	53	7	,	,	PUNCT
admet-678	53	8	the	the	DET
admet-678	53	9	following	follow	VERB
admet-678	53	10	were	be	AUX
admet-678	53	11	considered	consider	VERB
admet-678	53	12	:	:	PUNCT
admet-678	53	13	molar	molar	ADJ
admet-678	53	14	volume	volume	NOUN
admet-678	53	15	(	(	PUNCT
admet-678	53	16	vm	vm	NOUN
admet-678	53	17	)	)	PUNCT
admet-678	53	18	,	,	PUNCT
admet-678	53	19	molecular	molecular	ADJ
admet-678	53	20	weight	weight	NOUN
admet-678	53	21	(	(	PUNCT
admet-678	53	22	mw	mw	NOUN
admet-678	53	23	)	)	PUNCT
admet-678	53	24	,	,	PUNCT
admet-678	53	25	and	and	CCONJ
admet-678	53	26	molar	molar	ADJ
admet-678	53	27	refractivity	refractivity	NOUN
admet-678	53	28	(	(	PUNCT
admet-678	53	29	mr	mr	PROPN
admet-678	53	30	)	)	PUNCT
admet-678	53	31	.	.	PUNCT
admet-678	54	1	to	to	PART
admet-678	54	2	explain	explain	VERB
admet-678	54	3	lipophilicity	lipophilicity	NOUN
admet-678	54	4	effects	effect	NOUN
admet-678	54	5	,	,	PUNCT
admet-678	54	6	several	several	ADJ
admet-678	54	7	calculated	calculate	VERB
admet-678	54	8	partition	partition	NOUN
admet-678	54	9	coefficients	coefficient	NOUN
admet-678	54	10	were	be	AUX
admet-678	54	11	obtained	obtain	VERB
admet-678	54	12	by	by	ADP
admet-678	54	13	using	use	VERB
admet-678	54	14	alogps	alogps	PROPN
admet-678	54	15	2.1	2.1	NUM
admet-678	54	16	software	software	NOUN
admet-678	54	17	(	(	PUNCT
admet-678	54	18	log	log	NOUN
admet-678	54	19	pexp	pexp	NOUN
admet-678	54	20	,	,	PUNCT
admet-678	54	21	alogps	alogps	PROPN
admet-678	54	22	,	,	PUNCT
admet-678	54	23	ia	ia	PROPN
admet-678	54	24	log	log	VERB
admet-678	54	25	p	p	NOUN
admet-678	54	26	,	,	PUNCT
admet-678	54	27	cosmofrag	cosmofrag	PROPN
admet-678	54	28	,	,	PUNCT
admet-678	54	29	milog	milog	NOUN
admet-678	54	30	p	p	NOUN
admet-678	54	31	,	,	PUNCT
admet-678	54	32	kowwin	kowwin	PROPN
admet-678	54	33	and	and	CCONJ
admet-678	54	34	xlogp	xlogp	PROPN
admet-678	54	35	)	)	PUNCT
admet-678	54	36	.	.	PUNCT
admet-678	55	1	another	another	DET
admet-678	55	2	group	group	NOUN
admet-678	55	3	of	of	ADP
admet-678	55	4	structural	structural	ADJ
admet-678	55	5	descriptors	descriptor	NOUN
admet-678	55	6	included	include	VERB
admet-678	55	7	quantum	quantum	ADJ
admet-678	55	8	chemical	chemical	NOUN
admet-678	55	9	indices	index	NOUN
admet-678	55	10	obtained	obtain	VERB
admet-678	55	11	by	by	ADP
admet-678	55	12	hyperchem	hyperchem	NOUN
admet-678	55	13	package	package	NOUN
admet-678	55	14	(	(	PUNCT
admet-678	55	15	release	release	VERB
admet-678	55	16	7.5	7.5	NUM
admet-678	55	17	for	for	ADP
admet-678	55	18	windows	window	NOUN
admet-678	55	19	)	)	PUNCT
admet-678	55	20	.	.	PUNCT
admet-678	56	1	three	three	NUM
admet-678	56	2	-	-	PUNCT
admet-678	56	3	dimensional	dimensional	ADJ
admet-678	56	4	molecular	molecular	ADJ
admet-678	56	5	structures	structure	NOUN
admet-678	56	6	were	be	AUX
admet-678	56	7	built	build	VERB
admet-678	56	8	using	use	VERB
admet-678	56	9	the	the	DET
admet-678	56	10	mm+	mm+	ADJ
admet-678	56	11	molecular	molecular	ADJ
admet-678	56	12	mechanics	mechanic	NOUN
admet-678	56	13	potential	potential	ADJ
admet-678	56	14	-	-	PUNCT
admet-678	56	15	energy	energy	NOUN
admet-678	56	16	function	function	NOUN
admet-678	56	17	.	.	PUNCT
admet-678	57	1	in	in	ADP
admet-678	57	2	a	a	DET
admet-678	57	3	follow	follow	VERB
admet-678	57	4	-	-	PUNCT
admet-678	57	5	up	up	ADP
admet-678	57	6	procedure	procedure	NOUN
admet-678	57	7	,	,	PUNCT
admet-678	57	8	complete	complete	ADJ
admet-678	57	9	optimization	optimization	NOUN
admet-678	57	10	of	of	ADP
admet-678	57	11	the	the	DET
admet-678	57	12	geometrical	geometrical	ADJ
admet-678	57	13	parameters	parameter	NOUN
admet-678	57	14	was	be	AUX
admet-678	57	15	carried	carry	VERB
admet-678	57	16	out	out	ADP
admet-678	57	17	by	by	ADP
admet-678	57	18	using	use	VERB
admet-678	57	19	the	the	DET
admet-678	57	20	am1	am1	PROPN
admet-678	57	21	method	method	NOUN
admet-678	57	22	,	,	PUNCT
admet-678	57	23	implemented	implement	VERB
admet-678	57	24	in	in	ADP
admet-678	57	25	the	the	DET
admet-678	57	26	standard	standard	ADJ
admet-678	57	27	version	version	NOUN
admet-678	57	28	of	of	ADP
admet-678	57	29	mopac	mopac	NOUN
admet-678	57	30	6.0	6.0	NUM
admet-678	57	31	.	.	PUNCT
admet-678	58	1	the	the	DET
admet-678	58	2	following	follow	VERB
admet-678	58	3	indices	index	NOUN
admet-678	58	4	obtained	obtain	VERB
admet-678	58	5	from	from	ADP
admet-678	58	6	molecular	molecular	ADJ
admet-678	58	7	orbital	orbital	ADJ
admet-678	58	8	calculations	calculation	NOUN
admet-678	58	9	were	be	AUX
admet-678	58	10	considered	consider	VERB
admet-678	58	11	:	:	PUNCT
admet-678	58	12	total	total	ADJ
admet-678	58	13	energy	energy	NOUN
admet-678	58	14	(	(	PUNCT
admet-678	58	15	etotal	etotal	ADJ
admet-678	58	16	)	)	PUNCT
admet-678	58	17	,	,	PUNCT
admet-678	58	18	heat	heat	NOUN
admet-678	58	19	of	of	ADP
admet-678	58	20	formation	formation	NOUN
admet-678	58	21	(	(	PUNCT
admet-678	58	22	¢hf	¢hf	NOUN
admet-678	58	23	)	)	PUNCT
admet-678	58	24	,	,	PUNCT
admet-678	58	25	energy	energy	NOUN
admet-678	58	26	of	of	ADP
admet-678	58	27	highest	high	ADJ
admet-678	58	28	occupied	occupy	VERB
admet-678	58	29	molecular	molecular	ADJ
admet-678	58	30	orbital	orbital	ADJ
admet-678	58	31	(	(	PUNCT
admet-678	58	32	homo	homo	NOUN
admet-678	58	33	)	)	PUNCT
admet-678	58	34	,	,	PUNCT
admet-678	58	35	energy	energy	NOUN
admet-678	58	36	of	of	ADP
admet-678	58	37	lowest	low	ADJ
admet-678	58	38	unoccupied	unoccupied	ADJ
admet-678	58	39	molecular	molecular	ADJ
admet-678	58	40	orbital	orbital	ADJ
admet-678	58	41	(	(	PUNCT
admet-678	58	42	lumo	lumo	NOUN
admet-678	58	43	)	)	PUNCT
admet-678	58	44	,	,	PUNCT
admet-678	58	45	dipole	dipole	NOUN
admet-678	58	46	moment	moment	NOUN
admet-678	58	47	(	(	PUNCT
admet-678	58	48	µ	µ	NOUN
admet-678	58	49	)	)	PUNCT
admet-678	58	50	,	,	PUNCT
admet-678	58	51	absolute	absolute	ADJ
admet-678	58	52	total	total	ADJ
admet-678	58	53	charge	charge	NOUN
admet-678	58	54	(	(	PUNCT
admet-678	58	55	qtotal	qtotal	ADJ
admet-678	58	56	)	)	PUNCT
admet-678	58	57	,	,	PUNCT
admet-678	58	58	the	the	DET
admet-678	58	59	most	most	ADV
admet-678	58	60	positive	positive	ADJ
admet-678	58	61	and	and	CCONJ
admet-678	58	62	the	the	DET
admet-678	58	63	most	most	ADV
admet-678	58	64	negative	negative	ADJ
admet-678	58	65	absolute	absolute	ADJ
admet-678	58	66	charges	charge	NOUN
admet-678	58	67	(	(	PUNCT
admet-678	58	68	qp	qp	PROPN
admet-678	58	69	,	,	PUNCT
admet-678	58	70	max	max	PROPN
admet-678	58	71	,	,	PUNCT
admet-678	58	72	qn	qn	PROPN
admet-678	58	73	,	,	PUNCT
admet-678	58	74	max	max	PROPN
admet-678	58	75	)	)	PUNCT
admet-678	58	76	,	,	PUNCT
admet-678	58	77	and	and	CCONJ
admet-678	58	78	the	the	DET
admet-678	58	79	positive	positive	ADJ
admet-678	58	80	and	and	CCONJ
admet-678	58	81	negative	negative	ADJ
admet-678	58	82	relative	relative	ADJ
admet-678	58	83	charge	charge	NOUN
admet-678	58	84	(	(	PUNCT
admet-678	58	85	rncg	rncg	NOUN
admet-678	58	86	,	,	PUNCT
admet-678	58	87	rpcg	rpcg	PROPN
admet-678	58	88	)	)	PUNCT
admet-678	58	89	.	.	PUNCT
admet-678	59	1	the	the	DET
admet-678	59	2	last	last	ADJ
admet-678	59	3	group	group	NOUN
admet-678	59	4	of	of	ADP
admet-678	59	5	descriptors	descriptor	NOUN
admet-678	59	6	considered	consider	VERB
admet-678	59	7	in	in	ADP
admet-678	59	8	this	this	DET
admet-678	59	9	study	study	NOUN
admet-678	59	10	included	include	VERB
admet-678	59	11	various	various	ADJ
admet-678	59	12	geometrical	geometrical	ADJ
admet-678	59	13	and	and	CCONJ
admet-678	59	14	topological	topological	ADJ
admet-678	59	15	indices	index	NOUN
admet-678	59	16	:	:	PUNCT
admet-678	59	17	the	the	DET
admet-678	59	18	wiener	wiener	NOUN
admet-678	59	19	index	index	NOUN
admet-678	59	20	,	,	PUNCT
admet-678	59	21	the	the	DET
admet-678	59	22	valence	valence	NOUN
admet-678	59	23	and	and	CCONJ
admet-678	59	24	connectivity	connectivity	NOUN
admet-678	59	25	molecular	molecular	ADJ
admet-678	59	26	indices	index	NOUN
admet-678	59	27	,	,	PUNCT
admet-678	59	28	the	the	DET
admet-678	59	29	kappa	kappa	PROPN
admet-678	59	30	shape	shape	NOUN
admet-678	59	31	indices	index	NOUN
admet-678	59	32	,	,	PUNCT
admet-678	59	33	and	and	CCONJ
admet-678	59	34	several	several	ADJ
admet-678	59	35	geometrical	geometrical	ADJ
admet-678	59	36	indices	index	NOUN
admet-678	59	37	calculated	calculate	VERB
admet-678	59	38	from	from	ADP
admet-678	59	39	the	the	DET
admet-678	59	40	optimized	optimize	VERB
admet-678	59	41	distance	distance	NOUN
admet-678	59	42	matrix	matrix	NOUN
admet-678	59	43	am1	am1	NOUN
admet-678	59	44	by	by	ADP
admet-678	59	45	using	use	VERB
admet-678	59	46	dragon	dragon	NOUN
admet-678	59	47	software	software	NOUN
admet-678	59	48	(	(	PUNCT
admet-678	59	49	v	v	ADP
admet-678	59	50	3.0	3.0	NUM
admet-678	59	51	)	)	PUNCT
admet-678	59	52	.	.	PUNCT
admet-678	60	1	a	a	DET
admet-678	60	2	stepwise	stepwise	ADJ
admet-678	60	3	multiple	multiple	ADJ
admet-678	60	4	regression	regression	NOUN
admet-678	60	5	procedure	procedure	NOUN
admet-678	60	6	,	,	PUNCT
admet-678	60	7	based	base	VERB
admet-678	60	8	on	on	ADP
admet-678	60	9	the	the	DET
admet-678	60	10	algorithms	algorithms	NOUN
admet-678	60	11	forwardselection	forwardselection	NOUN
admet-678	60	12	and	and	CCONJ
admet-678	60	13	backward	backward	ADJ
admet-678	60	14	-	-	PUNCT
admet-678	60	15	elimination	elimination	NOUN
admet-678	60	16	,	,	PUNCT
admet-678	60	17	was	be	AUX
admet-678	60	18	used	use	VERB
admet-678	60	19	for	for	ADP
admet-678	60	20	the	the	DET
admet-678	60	21	inclusion	inclusion	NOUN
admet-678	60	22	or	or	CCONJ
admet-678	60	23	rejection	rejection	NOUN
admet-678	60	24	of	of	ADP
admet-678	60	25	descriptors	descriptor	NOUN
admet-678	60	26	in	in	ADP
admet-678	60	27	the	the	DET
admet-678	60	28	screened	screen	VERB
admet-678	60	29	models	model	NOUN
admet-678	60	30	.	.	PUNCT
admet-678	61	1	statistical	statistical	ADJ
admet-678	61	2	methods	method	NOUN
admet-678	61	3	partial	partial	ADJ
admet-678	61	4	least	least	ADJ
admet-678	61	5	squares	square	NOUN
admet-678	61	6	projections	projection	NOUN
admet-678	61	7	in	in	ADP
admet-678	61	8	latent	latent	NOUN
admet-678	61	9	variables	variable	NOUN
admet-678	61	10	(	(	PUNCT
admet-678	61	11	pls	pls	INTJ
admet-678	61	12	)	)	PUNCT
admet-678	61	13	together	together	ADV
admet-678	61	14	with	with	ADP
admet-678	61	15	multiple	multiple	ADJ
admet-678	61	16	regression	regression	NOUN
admet-678	61	17	analysis	analysis	NOUN
admet-678	61	18	(	(	PUNCT
admet-678	61	19	mlr	mlr	NOUN
admet-678	61	20	)	)	PUNCT
admet-678	61	21	were	be	AUX
admet-678	61	22	the	the	DET
admet-678	61	23	selected	select	VERB
admet-678	61	24	methods	method	NOUN
admet-678	61	25	to	to	PART
admet-678	61	26	search	search	VERB
admet-678	61	27	for	for	ADP
admet-678	61	28	relationships	relationship	NOUN
admet-678	61	29	between	between	ADP
admet-678	61	30	the	the	DET
admet-678	61	31	biological	biological	ADJ
admet-678	61	32	activity	activity	NOUN
admet-678	61	33	data	datum	NOUN
admet-678	61	34	and	and	CCONJ
admet-678	61	35	the	the	DET
admet-678	61	36	structural	structural	ADJ
admet-678	61	37	descriptors	descriptor	NOUN
admet-678	61	38	.	.	PUNCT
admet-678	62	1	the	the	DET
admet-678	62	2	determination	determination	NOUN
admet-678	62	3	of	of	ADP
admet-678	62	4	the	the	DET
admet-678	62	5	significant	significant	ADJ
admet-678	62	6	number	number	NOUN
admet-678	62	7	of	of	ADP
admet-678	62	8	pls	pls	PROPN
admet-678	62	9	components	component	NOUN
admet-678	62	10	was	be	AUX
admet-678	62	11	made	make	VERB
admet-678	62	12	by	by	ADP
admet-678	62	13	crossvalidation	crossvalidation	NOUN
admet-678	62	14	[	[	X
admet-678	62	15	1,19	1,19	NUM
admet-678	62	16	]	]	PUNCT
admet-678	62	17	.	.	PUNCT
admet-678	63	1	pls	pls	VERB
admet-678	63	2	analysis	analysis	NOUN
admet-678	63	3	was	be	AUX
admet-678	63	4	carried	carry	VERB
admet-678	63	5	out	out	ADP
admet-678	63	6	using	use	VERB
admet-678	63	7	the	the	DET
admet-678	63	8	simca	simca	NOUN
admet-678	63	9	-	-	PUNCT
admet-678	63	10	p	p	PROPN
admet-678	63	11	7.01	7.01	NUM
admet-678	63	12	software	software	NOUN
admet-678	63	13	obtained	obtain	VERB
admet-678	63	14	from	from	ADP
admet-678	63	15	umetri	umetri	PROPN
admet-678	63	16	ab	ab	PROPN
admet-678	63	17	,	,	PUNCT
admet-678	63	18	umea	umea	ADJ
admet-678	63	19	,	,	PUNCT
admet-678	63	20	sweden	sweden	ADJ
admet-678	63	21	,	,	PUNCT
admet-678	63	22	and	and	CCONJ
admet-678	63	23	mlr	mlr	NOUN
admet-678	63	24	analysis	analysis	NOUN
admet-678	63	25	was	be	AUX
admet-678	63	26	performed	perform	VERB
admet-678	63	27	using	use	VERB
admet-678	63	28	the	the	DET
admet-678	63	29	7.0	7.0	NUM
admet-678	63	30	version	version	NOUN
admet-678	63	31	of	of	ADP
admet-678	63	32	statgraphics	statgraphic	NOUN
admet-678	63	33	plus	plus	CCONJ
admet-678	63	34	software	software	NOUN
admet-678	63	35	.	.	PUNCT
admet-678	64	1	prior	prior	ADV
admet-678	64	2	conducting	conduct	VERB
admet-678	64	3	the	the	DET
admet-678	64	4	pls-1	pls-1	ADJ
admet-678	64	5	analysis	analysis	NOUN
admet-678	64	6	for	for	ADP
admet-678	64	7	each	each	DET
admet-678	64	8	one	one	NUM
admet-678	64	9	of	of	ADP
admet-678	64	10	the	the	DET
admet-678	64	11	classes	class	NOUN
admet-678	64	12	,	,	PUNCT
admet-678	64	13	all	all	DET
admet-678	64	14	the	the	DET
admet-678	64	15	variables	variable	NOUN
admet-678	64	16	were	be	AUX
admet-678	64	17	auto	auto	NOUN
admet-678	64	18	-	-	PUNCT
admet-678	64	19	scaled	scale	VERB
admet-678	64	20	to	to	ADP
admet-678	64	21	zero	zero	NUM
admet-678	64	22	mean	mean	NOUN
admet-678	64	23	and	and	CCONJ
admet-678	64	24	unit	unit	NOUN
admet-678	64	25	variance	variance	NOUN
admet-678	64	26	.	.	PUNCT
admet-678	65	1	this	this	DET
admet-678	65	2	transformation	transformation	NOUN
admet-678	65	3	assures	assure	VERB
admet-678	65	4	data	datum	NOUN
admet-678	65	5	standardization	standardization	NOUN
admet-678	65	6	and	and	CCONJ
admet-678	65	7	allows	allow	VERB
admet-678	65	8	to	to	PART
admet-678	65	9	give	give	VERB
admet-678	65	10	each	each	DET
admet-678	65	11	descriptor	descriptor	NOUN
admet-678	65	12	equal	equal	ADJ
admet-678	65	13	importance	importance	NOUN
admet-678	65	14	in	in	ADP
admet-678	65	15	the	the	DET
admet-678	65	16	pls	pls	NOUN
admet-678	65	17	analysis	analysis	NOUN
admet-678	65	18	.	.	PUNCT
admet-678	66	1	to	to	PART
admet-678	66	2	avoid	avoid	VERB
admet-678	66	3	overestimations	overestimation	NOUN
admet-678	66	4	or	or	CCONJ
admet-678	66	5	misunderstanding	misunderstand	VERB
admet-678	66	6	interpretation	interpretation	NOUN
admet-678	66	7	of	of	ADP
admet-678	66	8	the	the	DET
admet-678	66	9	resulting	result	VERB
admet-678	66	10	models	model	NOUN
admet-678	66	11	,	,	PUNCT
admet-678	66	12	pairs	pair	NOUN
admet-678	66	13	of	of	ADP
admet-678	66	14	variables	variable	NOUN
admet-678	66	15	with	with	ADP
admet-678	66	16	r	r	NOUN
admet-678	66	17	≥	≥	NUM
admet-678	66	18	0.75	0.75	NUM
admet-678	66	19	were	be	AUX
admet-678	66	20	classified	classify	VERB
admet-678	66	21	as	as	ADP
admet-678	66	22	intercorrelating	intercorrelate	VERB
admet-678	66	23	admet	admet	PROPN
admet-678	66	24	&	&	CCONJ
admet-678	66	25	dmpk	dmpk	PROPN
admet-678	66	26	7(3	7(3	NUM
admet-678	66	27	)	)	PUNCT
admet-678	66	28	(	(	PUNCT
admet-678	66	29	2019	2019	NUM
admet-678	66	30	)	)	PUNCT
admet-678	66	31	196	196	NUM
admet-678	66	32	-	-	SYM
admet-678	66	33	209	209	NUM
admet-678	66	34	organosulfur	organosulfur	NOUN
admet-678	66	35	–	–	PUNCT
admet-678	66	36	cyp2a6	cyp2a6	NOUN
admet-678	66	37	qsar	qsar	NOUN
admet-678	66	38	study	study	NOUN
admet-678	66	39	doi	doi	NOUN
admet-678	66	40	:	:	PUNCT
admet-678	66	41	10.5599	10.5599	NUM
admet-678	66	42	/	/	SYM
admet-678	66	43	admet.678	admet.678	PROPN
admet-678	66	44	199	199	NUM
admet-678	66	45	ones	one	NOUN
admet-678	66	46	,	,	PUNCT
admet-678	66	47	and	and	CCONJ
admet-678	66	48	only	only	ADV
admet-678	66	49	one	one	NUM
admet-678	66	50	of	of	ADP
admet-678	66	51	these	these	PRON
admet-678	66	52	was	be	AUX
admet-678	66	53	included	include	VERB
admet-678	66	54	in	in	ADP
admet-678	66	55	the	the	DET
admet-678	66	56	screened	screen	VERB
admet-678	66	57	model	model	NOUN
admet-678	66	58	.	.	PUNCT
admet-678	67	1	the	the	DET
admet-678	67	2	predictive	predictive	ADJ
admet-678	67	3	ability	ability	NOUN
admet-678	67	4	of	of	ADP
admet-678	67	5	the	the	DET
admet-678	67	6	model	model	NOUN
admet-678	67	7	was	be	AUX
admet-678	67	8	evaluated	evaluate	VERB
admet-678	67	9	by	by	ADP
admet-678	67	10	the	the	DET
admet-678	67	11	crossvalidation	crossvalidation	NOUN
admet-678	67	12	coefficient	coefficient	NOUN
admet-678	67	13	(	(	PUNCT
admet-678	67	14	q2	q2	NOUN
admet-678	67	15	)	)	PUNCT
admet-678	67	16	,	,	PUNCT
admet-678	67	17	which	which	PRON
admet-678	67	18	is	be	AUX
admet-678	67	19	based	base	VERB
admet-678	67	20	on	on	ADP
admet-678	67	21	the	the	DET
admet-678	67	22	prediction	prediction	NOUN
admet-678	67	23	error	error	NOUN
admet-678	67	24	sum	sum	NOUN
admet-678	67	25	of	of	ADP
admet-678	67	26	squares	square	NOUN
admet-678	67	27	(	(	PUNCT
admet-678	67	28	press	press	NOUN
admet-678	67	29	)	)	PUNCT
admet-678	67	30	.	.	PUNCT
admet-678	68	1	the	the	DET
admet-678	68	2	press	press	NOUN
admet-678	68	3	statistic	statistic	NOUN
admet-678	68	4	is	be	AUX
admet-678	68	5	computed	compute	VERB
admet-678	68	6	as	as	ADP
admet-678	68	7	the	the	DET
admet-678	68	8	squared	square	VERB
admet-678	68	9	differences	difference	NOUN
admet-678	68	10	between	between	ADP
admet-678	68	11	observed	observed	ADJ
admet-678	68	12	and	and	CCONJ
admet-678	68	13	predicted	predict	VERB
admet-678	68	14	values	value	NOUN
admet-678	68	15	when	when	SCONJ
admet-678	68	16	the	the	DET
admet-678	68	17	observations	observation	NOUN
admet-678	68	18	are	be	AUX
admet-678	68	19	kept	keep	VERB
admet-678	68	20	out	out	ADP
admet-678	68	21	of	of	ADP
admet-678	68	22	the	the	DET
admet-678	68	23	derived	derive	VERB
admet-678	68	24	model	model	NOUN
admet-678	68	25	.	.	PUNCT
admet-678	69	1	this	this	DET
admet-678	69	2	procedure	procedure	NOUN
admet-678	69	3	is	be	AUX
admet-678	69	4	repeated	repeat	VERB
admet-678	69	5	several	several	ADJ
admet-678	69	6	times	time	NOUN
admet-678	69	7	until	until	SCONJ
admet-678	69	8	every	every	DET
admet-678	69	9	observation	observation	NOUN
admet-678	69	10	has	have	AUX
admet-678	69	11	been	be	AUX
admet-678	69	12	kept	keep	VERB
admet-678	69	13	out	out	ADP
admet-678	69	14	once	once	ADV
admet-678	69	15	,	,	PUNCT
admet-678	69	16	and	and	CCONJ
admet-678	69	17	only	only	ADV
admet-678	69	18	once	once	ADV
admet-678	69	19	.	.	PUNCT
admet-678	70	1	results	result	VERB
admet-678	70	2	multiple	multiple	ADJ
admet-678	70	3	regression	regression	NOUN
admet-678	70	4	analysis	analysis	NOUN
admet-678	70	5	mlr	mlr	NOUN
admet-678	70	6	was	be	AUX
admet-678	70	7	performed	perform	VERB
admet-678	70	8	on	on	ADP
admet-678	70	9	the	the	DET
admet-678	70	10	22	22	NUM
admet-678	70	11	oscs	oscs	NOUN
admet-678	70	12	described	describe	VERB
admet-678	70	13	in	in	ADP
admet-678	70	14	table	table	NOUN
admet-678	70	15	1	1	NUM
admet-678	70	16	,	,	PUNCT
admet-678	70	17	whereas	whereas	SCONJ
admet-678	70	18	table	table	NOUN
admet-678	70	19	2	2	NUM
admet-678	70	20	shows	show	VERB
admet-678	70	21	the	the	DET
admet-678	70	22	molecular	molecular	ADJ
admet-678	70	23	descriptors	descriptor	NOUN
admet-678	70	24	included	include	VERB
admet-678	70	25	in	in	ADP
admet-678	70	26	the	the	DET
admet-678	70	27	selected	select	VERB
admet-678	70	28	models	model	NOUN
admet-678	70	29	.	.	PUNCT
admet-678	71	1	table	table	NOUN
admet-678	71	2	1	1	NUM
admet-678	71	3	.	.	PUNCT
admet-678	72	1	cyp2a6	cyp2a6	VERB
admet-678	72	2	inhibitory	inhibitory	ADJ
admet-678	72	3	activity	activity	NOUN
admet-678	72	4	data	datum	NOUN
admet-678	72	5	of	of	ADP
admet-678	72	6	organosulfur	organosulfur	NOUN
admet-678	72	7	compounds	compound	NOUN
admet-678	72	8	n	n	CCONJ
admet-678	72	9	°	°	PROPN
admet-678	72	10	name	name	NOUN
admet-678	72	11	chemical	chemical	NOUN
admet-678	72	12	structure	structure	NOUN
admet-678	72	13	residual	residual	ADJ
admet-678	72	14	activity	activity	NOUN
admet-678	72	15	%	%	NOUN
admet-678	72	16	1	1	NUM
admet-678	72	17	dimethyl	dimethyl	NOUN
admet-678	72	18	sulfide	sulfide	NOUN
admet-678	72	19	ch3	ch3	PROPN
admet-678	72	20	s	s	PROPN
admet-678	72	21	ch3	ch3	PROPN
admet-678	72	22	98.4	98.4	NUM
admet-678	72	23	2	2	NUM
admet-678	72	24	dimethyl	dimethyl	NOUN
admet-678	72	25	disulfide	disulfide	PROPN
admet-678	72	26	ch3	ch3	PROPN
admet-678	72	27	s	s	PART
admet-678	72	28	s	s	PROPN
admet-678	72	29	ch3	ch3	PROPN
admet-678	72	30	94.1	94.1	NUM
admet-678	72	31	3	3	NUM
admet-678	72	32	diethyl	diethyl	NOUN
admet-678	72	33	sulfide	sulfide	NOUN
admet-678	72	34	s	s	PART
admet-678	72	35	ch3ch3	ch3ch3	ADJ
admet-678	72	36	89.4	89.4	NUM
admet-678	72	37	4	4	NUM
admet-678	72	38	diethyl	diethyl	NOUN
admet-678	72	39	disulfide	disulfide	NOUN
admet-678	72	40	s	s	PROPN
admet-678	72	41	s	s	PROPN
admet-678	72	42	ch3	ch3	PROPN
admet-678	72	43	ch3	ch3	PROPN
admet-678	72	44	79.6	79.6	NUM
admet-678	72	45	5	5	NUM
admet-678	72	46	di	di	NOUN
admet-678	72	47	-	-	PUNCT
admet-678	72	48	n	n	CCONJ
admet-678	72	49	-	-	PUNCT
admet-678	72	50	propyl	propyl	ADJ
admet-678	72	51	sulfide	sulfide	NOUN
admet-678	72	52	s	s	PART
admet-678	72	53	ch3ch3	ch3ch3	ADJ
admet-678	72	54	83.4	83.4	NUM
admet-678	72	55	6	6	NUM
admet-678	72	56	di	di	NOUN
admet-678	72	57	-	-	PUNCT
admet-678	72	58	n	n	CCONJ
admet-678	72	59	-	-	PUNCT
admet-678	72	60	propyl	propyl	ADJ
admet-678	72	61	disulfide	disulfide	NOUN
admet-678	72	62	s	s	PART
admet-678	72	63	sch3	sch3	PROPN
admet-678	72	64	ch3	ch3	PROPN
admet-678	72	65	39.5	39.5	NUM
admet-678	72	66	7	7	NUM
admet-678	72	67	di	di	NOUN
admet-678	72	68	-	-	PUNCT
admet-678	72	69	n	n	CCONJ
admet-678	72	70	-	-	PUNCT
admet-678	72	71	butyl	butyl	NOUN
admet-678	72	72	sulfide	sulfide	NOUN
admet-678	72	73	sch3	sch3	PROPN
admet-678	72	74	ch3	ch3	PROPN
admet-678	72	75	82.0	82.0	NUM
admet-678	72	76	8	8	NUM
admet-678	72	77	di	di	NOUN
admet-678	72	78	-	-	PUNCT
admet-678	72	79	n	n	CCONJ
admet-678	72	80	-	-	PUNCT
admet-678	72	81	butyl	butyl	NOUN
admet-678	72	82	disulfide	disulfide	NOUN
admet-678	72	83	s	s	PART
admet-678	72	84	s	s	PROPN
admet-678	72	85	ch3	ch3	PROPN
admet-678	72	86	ch3	ch3	PROPN
admet-678	72	87	43.9	43.9	NUM
admet-678	72	88	9	9	NUM
admet-678	72	89	di	di	NOUN
admet-678	72	90	-	-	PUNCT
admet-678	72	91	n	n	CCONJ
admet-678	72	92	-	-	PUNCT
admet-678	72	93	amyl	amyl	NOUN
admet-678	72	94	sulfide	sulfide	NOUN
admet-678	72	95	s	s	PART
admet-678	72	96	ch3	ch3	PROPN
admet-678	72	97	ch3	ch3	PROPN
admet-678	72	98	88.8	88.8	NUM
admet-678	72	99	10	10	NUM
admet-678	72	100	di	di	NOUN
admet-678	72	101	-	-	PUNCT
admet-678	72	102	n	n	CCONJ
admet-678	72	103	-	-	PUNCT
admet-678	72	104	amyl	amyl	NOUN
admet-678	72	105	disulfide	disulfide	NOUN
admet-678	72	106	s	s	PART
admet-678	72	107	s	s	PROPN
admet-678	72	108	ch3	ch3	PROPN
admet-678	72	109	ch3	ch3	PROPN
admet-678	72	110	66.3	66.3	NUM
admet-678	72	111	11	11	NUM
admet-678	72	112	diallyl	diallyl	NOUN
admet-678	72	113	sulfide	sulfide	NOUN
admet-678	72	114	s	s	PART
admet-678	72	115	ch2ch2	ch2ch2	NOUN
admet-678	72	116	91.3	91.3	NUM
admet-678	72	117	12	12	NUM
admet-678	72	118	diallyl	diallyl	NOUN
admet-678	72	119	disulfide	disulfide	PROPN
admet-678	72	120	s	s	PROPN
admet-678	72	121	sch2	sch2	PROPN
admet-678	72	122	ch2	ch2	PROPN
admet-678	72	123	46.2	46.2	NUM
admet-678	72	124	13	13	NUM
admet-678	72	125	allyl	allyl	NOUN
admet-678	72	126	methyl	methyl	NOUN
admet-678	72	127	sulfide	sulfide	NOUN
admet-678	72	128	s	s	PART
admet-678	72	129	ch3ch2	ch3ch2	NOUN
admet-678	72	130	97.6	97.6	NUM
admet-678	72	131	14	14	NUM
admet-678	72	132	allyl	allyl	ADJ
admet-678	72	133	n	n	CCONJ
admet-678	72	134	-	-	PUNCT
admet-678	72	135	propyl	propyl	ADJ
admet-678	72	136	sulfide	sulfide	NOUN
admet-678	72	137	s	s	PART
admet-678	72	138	ch2	ch2	PROPN
admet-678	72	139	ch3	ch3	PROPN
admet-678	72	140	94.2	94.2	NUM
admet-678	72	141	15	15	NUM
admet-678	72	142	allyl	allyl	NOUN
admet-678	72	143	phenyl	phenyl	NOUN
admet-678	72	144	sulfide	sulfide	NOUN
admet-678	72	145	ch2	ch2	PROPN
admet-678	72	146	s	s	PART
admet-678	72	147	32.8	32.8	NUM
admet-678	72	148	16	16	NUM
admet-678	72	149	diphenyl	diphenyl	NOUN
admet-678	72	150	sulfide	sulfide	NOUN
admet-678	72	151	s	s	PART
admet-678	72	152	46.1	46.1	NUM
admet-678	72	153	17	17	NUM
admet-678	72	154	diphenyl	diphenyl	NOUN
admet-678	72	155	disulfide	disulfide	NOUN
admet-678	72	156	s	s	PROPN
admet-678	72	157	s	s	NOUN
admet-678	72	158	65.7	65.7	NUM
admet-678	72	159	d.a	d.a	NOUN
admet-678	72	160	.	.	PUNCT
admet-678	73	1	ramirez	ramirez	PROPN
admet-678	73	2	et	et	PROPN
admet-678	73	3	al	al	PROPN
admet-678	73	4	.	.	PROPN
admet-678	73	5	admet	admet	PROPN
admet-678	73	6	&	&	CCONJ
admet-678	73	7	dmpk	dmpk	PROPN
admet-678	73	8	7(3	7(3	NUM
admet-678	73	9	)	)	PUNCT
admet-678	73	10	(	(	PUNCT
admet-678	73	11	2019	2019	NUM
admet-678	73	12	)	)	PUNCT
admet-678	73	13	196	196	NUM
admet-678	73	14	-	-	SYM
admet-678	73	15	209	209	NUM
admet-678	73	16	200	200	NUM
admet-678	73	17	n	n	CCONJ
admet-678	73	18	°	°	PROPN
admet-678	73	19	name	name	NOUN
admet-678	73	20	chemical	chemical	NOUN
admet-678	73	21	structure	structure	NOUN
admet-678	73	22	residual	residual	ADJ
admet-678	73	23	activity	activity	NOUN
admet-678	73	24	%	%	NOUN
admet-678	73	25	18	18	NUM
admet-678	73	26	phenyl	phenyl	NOUN
admet-678	73	27	ciclopropyl	ciclopropyl	NOUN
admet-678	73	28	sulfide	sulfide	NOUN
admet-678	73	29	s	s	PART
admet-678	73	30	42.1	42.1	NUM
admet-678	73	31	19	19	NUM
admet-678	73	32	difurfuryl	difurfuryl	NOUN
admet-678	73	33	disulfide	disulfide	NOUN
admet-678	74	1	s	s	PART
admet-678	74	2	s	s	NOUN
admet-678	74	3	o	o	NOUN
admet-678	74	4	o	o	NOUN
admet-678	74	5	69.1	69.1	NUM
admet-678	74	6	20	20	NUM
admet-678	74	7	4,4’-dipyridyl	4,4’-dipyridyl	NOUN
admet-678	74	8	disulfide	disulfide	NOUN
admet-678	75	1	n	n	PRON
admet-678	75	2	s	s	NOUN
admet-678	75	3	s	s	X
admet-678	75	4	n	n	PROPN
admet-678	75	5	97.0	97.0	NUM
admet-678	75	6	21	21	NUM
admet-678	75	7	4,4’-dipyridyl	4,4’-dipyridyl	NOUN
admet-678	75	8	sulfide	sulfide	NOUN
admet-678	75	9	n	n	NOUN
admet-678	75	10	s	s	NOUN
admet-678	75	11	n	n	ADV
admet-678	75	12	3.22	3.22	NUM
admet-678	75	13	22	22	NUM
admet-678	75	14	2,2’-dipyridyl	2,2’-dipyridyl	NUM
admet-678	75	15	disulfide	disulfide	NOUN
admet-678	75	16	n	n	PRON
admet-678	75	17	s	s	NOUN
admet-678	75	18	s	s	X
admet-678	75	19	n	n	PRON
admet-678	75	20	2.26	2.26	NUM
admet-678	75	21	table	table	NOUN
admet-678	75	22	2	2	NUM
admet-678	75	23	.	.	PUNCT
admet-678	76	1	molecular	molecular	ADJ
admet-678	76	2	descriptors	descriptor	NOUN
admet-678	76	3	a	a	PRON
admet-678	76	4	for	for	ADP
admet-678	76	5	the	the	DET
admet-678	76	6	compounds	compound	NOUN
admet-678	76	7	described	describe	VERB
admet-678	76	8	in	in	ADP
admet-678	76	9	table	table	NOUN
admet-678	76	10	1	1	NUM
admet-678	76	11	n	n	CCONJ
admet-678	76	12	°	°	PRON
admet-678	76	13	ra%	ra%	NOUN
admet-678	76	14	clogp	clogp	ADJ
admet-678	76	15	ehomo	ehomo	PROPN
admet-678	76	16	elumo	elumo	PROPN
admet-678	76	17	µ	µ	X
admet-678	76	18	ldip	ldip	NOUN
admet-678	76	19	rpcg	rpcg	ADJ
admet-678	76	20	rncg	rncg	NOUN
admet-678	76	21	e1u	e1u	ADP
admet-678	76	22	e3u	e3u	NOUN
admet-678	76	23	spam	spam	VERB
admet-678	76	24	asp	asp	PROPN
admet-678	76	25	qmean	qmean	PROPN
admet-678	76	26	1	1	NUM
admet-678	76	27	98.400	98.400	NUM
admet-678	76	28	0.845	0.845	NUM
admet-678	76	29	-8.882	-8.882	NUM
admet-678	76	30	0.457	0.457	NUM
admet-678	76	31	1.961	1.961	NUM
admet-678	76	32	0.251	0.251	NUM
admet-678	76	33	0.200	0.200	NUM
admet-678	76	34	0.484	0.484	NUM
admet-678	76	35	0.707	0.707	NUM
admet-678	76	36	0.444	0.444	NUM
admet-678	76	37	0.517	0.517	NUM
admet-678	76	38	0.237	0.237	NUM
admet-678	76	39	0.093	0.093	NUM
admet-678	76	40	2	2	NUM
admet-678	76	41	94.100	94.100	NUM
admet-678	76	42	0.845	0.845	NUM
admet-678	76	43	-9.399	-9.399	NOUN
admet-678	76	44	-1.978	-1.978	PROPN
admet-678	76	45	2.569	2.569	NUM
admet-678	76	46	0.249	0.249	NUM
admet-678	76	47	0.193	0.193	NUM
admet-678	76	48	0.473	0.473	NUM
admet-678	76	49	0.724	0.724	NUM
admet-678	76	50	0.449	0.449	NUM
admet-678	76	51	0.545	0.545	NUM
admet-678	76	52	0.235	0.235	NUM
admet-678	76	53	0.095	0.095	NUM
admet-678	76	54	3	3	NUM
admet-678	76	55	89.400	89.400	NUM
admet-678	76	56	1.817	1.817	NUM
admet-678	76	57	-8.856	-8.856	NUM
admet-678	76	58	0.362	0.362	NUM
admet-678	76	59	1.941	1.941	NUM
admet-678	77	1	0.154	0.154	NUM
admet-678	77	2	0.118	0.118	NUM
admet-678	77	3	0.282	0.282	NUM
admet-678	77	4	0.654	0.654	NUM
admet-678	77	5	0.533	0.533	NUM
admet-678	77	6	0.488	0.488	NUM
admet-678	77	7	0.665	0.665	NUM
admet-678	77	8	0.076	0.076	NUM
admet-678	77	9	4	4	NUM
admet-678	77	10	79.600	79.600	NUM
admet-678	77	11	1.817	1.817	NUM
admet-678	77	12	-9.352	-9.352	NOUN
admet-678	77	13	-1.976	-1.976	PUNCT
admet-678	77	14	2.646	2.646	NUM
admet-678	77	15	0.160	0.160	NUM
admet-678	77	16	0.132	0.132	NUM
admet-678	77	17	0.289	0.289	NUM
admet-678	77	18	0.676	0.676	NUM
admet-678	77	19	0.484	0.484	NUM
admet-678	77	20	0.504	0.504	NUM
admet-678	77	21	0.521	0.521	NUM
admet-678	77	22	0.078	0.078	NUM
admet-678	77	23	5	5	NUM
admet-678	77	24	83.400	83.400	NUM
admet-678	77	25	2.604	2.604	NUM
admet-678	77	26	-8.857	-8.857	NUM
admet-678	77	27	0.353	0.353	NUM
admet-678	77	28	1.910	1.910	NUM
admet-678	77	29	0.146	0.146	NUM
admet-678	77	30	0.090	0.090	NUM
admet-678	77	31	0.216	0.216	NUM
admet-678	77	32	0.632	0.632	NUM
admet-678	77	33	0.571	0.571	NUM
admet-678	77	34	0.480	0.480	NUM
admet-678	77	35	0.765	0.765	NUM
admet-678	77	36	0.074	0.074	NUM
admet-678	77	37	6	6	NUM
admet-678	77	38	39.500	39.500	NUM
admet-678	77	39	2.604	2.604	NUM
admet-678	77	40	-9.351	-9.351	NOUN
admet-678	77	41	-1.996	-1.996	NUM
admet-678	77	42	2.660	2.660	NUM
admet-678	77	43	0.151	0.151	NUM
admet-678	77	44	0.103	0.103	NUM
admet-678	77	45	0.230	0.230	NUM
admet-678	77	46	0.677	0.677	NUM
admet-678	77	47	0.358	0.358	NUM
admet-678	77	48	0.489	0.489	NUM
admet-678	77	49	0.547	0.547	NUM
admet-678	77	50	0.075	0.075	NUM
admet-678	77	51	7	7	NUM
admet-678	77	52	82.000	82.000	NUM
admet-678	77	53	3.291	3.291	NUM
admet-678	77	54	-8.861	-8.861	NUM
admet-678	77	55	0.342	0.342	SYM
admet-678	77	56	1.886	1.886	NUM
admet-678	77	57	0.134	0.134	NUM
admet-678	77	58	0.071	0.071	NUM
admet-678	77	59	0.170	0.170	NUM
admet-678	77	60	0.612	0.612	NUM
admet-678	77	61	0.593	0.593	NUM
admet-678	77	62	0.475	0.475	NUM
admet-678	77	63	0.875	0.875	NUM
admet-678	77	64	0.073	0.073	NUM
admet-678	77	65	8	8	NUM
admet-678	77	66	43.900	43.900	NUM
admet-678	77	67	3.291	3.291	NUM
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admet-678	77	69	-1.999	-1.999	PUNCT
admet-678	77	70	2.676	2.676	NUM
admet-678	77	71	0.139	0.139	NUM
admet-678	77	72	0.083	0.083	NUM
admet-678	77	73	0.183	0.183	NUM
admet-678	77	74	0.642	0.642	NUM
admet-678	77	75	0.367	0.367	NUM
admet-678	77	76	0.477	0.477	NUM
admet-678	77	77	0.659	0.659	NUM
admet-678	77	78	0.074	0.074	NUM
admet-678	77	79	9	9	NUM
admet-678	77	80	88.800	88.800	NUM
admet-678	77	81	3.911	3.911	NUM
admet-678	77	82	-8.865	-8.865	NUM
admet-678	77	83	0.337	0.337	NUM
admet-678	77	84	1.881	1.881	NUM
admet-678	77	85	0.129	0.129	NUM
admet-678	77	86	0.059	0.059	NUM
admet-678	77	87	0.141	0.141	NUM
admet-678	77	88	0.605	0.605	NUM
admet-678	77	89	0.606	0.606	NUM
admet-678	77	90	0.472	0.472	NUM
admet-678	77	91	0.900	0.900	NUM
admet-678	77	92	0.072	0.072	NUM
admet-678	77	93	10	10	NUM
admet-678	77	94	66.300	66.300	NUM
admet-678	77	95	3.911	3.911	NUM
admet-678	77	96	-9.354	-9.354	X
admet-678	77	97	-2.002	-2.002	NUM
admet-678	77	98	2.677	2.677	NUM
admet-678	77	99	0.133	0.133	NUM
admet-678	77	100	0.069	0.069	NUM
admet-678	77	101	0.153	0.153	NUM
admet-678	77	102	0.643	0.643	NUM
admet-678	77	103	0.374	0.374	NUM
admet-678	77	104	0.473	0.473	NUM
admet-678	77	105	0.681	0.681	NUM
admet-678	77	106	0.073	0.073	NUM
admet-678	77	107	11	11	NUM
admet-678	77	108	91.300	91.300	NUM
admet-678	77	109	2.352	2.352	NUM
admet-678	77	110	-8.901	-8.901	PUNCT
admet-678	77	111	-0.068	-0.068	X
admet-678	77	112	2.004	2.004	NUM
admet-678	77	113	0.153	0.153	NUM
admet-678	77	114	0.133	0.133	NUM
admet-678	77	115	0.169	0.169	NUM
admet-678	77	116	0.594	0.594	NUM
admet-678	77	117	0.348	0.348	NUM
admet-678	77	118	0.525	0.525	NUM
admet-678	77	119	0.763	0.763	NUM
admet-678	77	120	0.100	0.100	NUM
admet-678	77	121	12	12	NUM
admet-678	77	122	46.200	46.200	NUM
admet-678	77	123	2.352	2.352	NUM
admet-678	77	124	-9.313	-9.313	PUNCT
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admet-678	77	126	2.650	2.650	NUM
admet-678	77	127	0.157	0.157	NUM
admet-678	77	128	0.127	0.127	NUM
admet-678	77	129	0.171	0.171	NUM
admet-678	77	130	0.626	0.626	NUM
admet-678	77	131	0.294	0.294	NUM
admet-678	77	132	0.515	0.515	NUM
admet-678	77	133	0.346	0.346	NUM
admet-678	77	134	0.102	0.102	NUM
admet-678	77	135	13	13	NUM
admet-678	77	136	97.600	97.600	NUM
admet-678	77	137	1.672	1.672	NUM
admet-678	77	138	-8.894	-8.894	NOUN
admet-678	77	139	0.146	0.146	NUM
admet-678	77	140	1.987	1.987	NUM
admet-678	77	141	0.187	0.187	NUM
admet-678	77	142	0.178	0.178	NUM
admet-678	77	143	0.314	0.314	NUM
admet-678	77	144	0.590	0.590	NUM
admet-678	77	145	0.310	0.310	NUM
admet-678	77	146	0.527	0.527	NUM
admet-678	77	147	0.604	0.604	NUM
admet-678	77	148	0.098	0.098	NUM
admet-678	77	149	14	14	NUM
admet-678	77	150	94.200	94.200	NUM
admet-678	77	151	2.459	2.459	NUM
admet-678	77	152	-8.880	-8.880	NUM
admet-678	77	153	0.108	0.108	NUM
admet-678	77	154	1.958	1.958	NUM
admet-678	77	155	0.150	0.150	NUM
admet-678	77	156	0.139	0.139	NUM
admet-678	77	157	0.209	0.209	NUM
admet-678	77	158	0.594	0.594	NUM
admet-678	77	159	0.353	0.353	NUM
admet-678	77	160	0.518	0.518	NUM
admet-678	77	161	0.778	0.778	NUM
admet-678	77	162	0.086	0.086	NUM
admet-678	77	163	15	15	NUM
admet-678	77	164	32.800	32.800	NUM
admet-678	77	165	3.437	3.437	NUM
admet-678	77	166	-8.566	-8.566	NOUN
admet-678	77	167	-0.076	-0.076	NUM
admet-678	77	168	1.649	1.649	NUM
admet-678	77	169	0.140	0.140	NUM
admet-678	77	170	0.113	0.113	NUM
admet-678	77	171	0.161	0.161	NUM
admet-678	77	172	0.574	0.574	NUM
admet-678	77	173	0.227	0.227	NUM
admet-678	77	174	0.514	0.514	NUM
admet-678	77	175	0.642	0.642	NUM
admet-678	77	176	0.105	0.105	NUM
admet-678	77	177	16	16	NUM
admet-678	77	178	46.100	46.100	NUM
admet-678	77	179	4.412	4.412	NUM
admet-678	77	180	-8.371	-8.371	SYM
admet-678	77	181	-0.142	-0.142	PUNCT
admet-678	77	182	1.265	1.265	NUM
admet-678	77	183	0.127	0.127	NUM
admet-678	77	184	0.130	0.130	NUM
admet-678	77	185	0.127	0.127	NUM
admet-678	77	186	0.613	0.613	NUM
admet-678	77	187	0.000	0.000	NUM
admet-678	77	188	0.474	0.474	NUM
admet-678	77	189	0.615	0.615	NUM
admet-678	77	190	0.110	0.110	NUM
admet-678	77	191	17	17	NUM
admet-678	77	192	65.700	65.700	NUM
admet-678	77	193	4.412	4.412	NUM
admet-678	77	194	-8.960	-8.960	PUNCT
admet-678	77	195	-2.164	-2.164	NOUN
admet-678	77	196	2.495	2.495	NUM
admet-678	77	197	0.139	0.139	NUM
admet-678	77	198	0.096	0.096	NUM
admet-678	77	199	0.188	0.188	NUM
admet-678	77	200	0.624	0.624	NUM
admet-678	77	201	0.331	0.331	NUM
admet-678	77	202	0.477	0.477	NUM
admet-678	77	203	0.484	0.484	NUM
admet-678	77	204	0.105	0.105	NUM
admet-678	77	205	18	18	NUM
admet-678	77	206	42.100	42.100	NUM
admet-678	77	207	3.527	3.527	NUM
admet-678	77	208	-8.557	-8.557	NOUN
admet-678	77	209	0.086	0.086	NUM
admet-678	77	210	1.627	1.627	NUM
admet-678	77	211	0.158	0.158	NUM
admet-678	77	212	0.105	0.105	NUM
admet-678	77	213	0.217	0.217	NUM
admet-678	77	214	0.618	0.618	NUM
admet-678	77	215	0.172	0.172	NUM
admet-678	77	216	0.467	0.467	NUM
admet-678	77	217	0.524	0.524	NUM
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admet-678	77	219	19	19	NUM
admet-678	77	220	69.100	69.100	NUM
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admet-678	78	5	0.627	0.627	NUM
admet-678	78	6	0.376	0.376	NUM
admet-678	78	7	0.519	0.519	NUM
admet-678	78	8	0.749	0.749	NUM
admet-678	78	9	0.101	0.101	NUM
admet-678	78	10	20	20	NUM
admet-678	78	11	97.000	97.000	NUM
admet-678	78	12	1.406	1.406	NUM
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admet-678	78	15	5.911	5.911	NUM
admet-678	78	16	0.140	0.140	NUM
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admet-678	78	18	0.158	0.158	NUM
admet-678	78	19	0.602	0.602	NUM
admet-678	78	20	0.248	0.248	NUM
admet-678	78	21	0.498	0.498	NUM
admet-678	78	22	0.471	0.471	NUM
admet-678	78	23	0.105	0.105	NUM
admet-678	78	24	21	21	NUM
admet-678	78	25	3.220	3.220	NUM
admet-678	78	26	1.406	1.406	NUM
admet-678	78	27	-9.007	-9.007	NOUN
admet-678	78	28	-0.667	-0.667	ADP
admet-678	78	29	0.321	0.321	NUM
admet-678	78	30	0.135	0.135	NUM
admet-678	78	31	0.160	0.160	NUM
admet-678	78	32	0.133	0.133	NUM
admet-678	78	33	0.620	0.620	NUM
admet-678	78	34	0.000	0.000	NUM
admet-678	78	35	0.487	0.487	NUM
admet-678	78	36	0.630	0.630	NUM
admet-678	78	37	0.113	0.113	NUM
admet-678	78	38	22	22	NUM
admet-678	78	39	2.260	2.260	NUM
admet-678	78	40	1.406	1.406	NUM
admet-678	78	41	-9.573	-9.573	NOUN
admet-678	78	42	-2.627	-2.627	PUNCT
admet-678	78	43	0.150	0.150	NUM
admet-678	78	44	0.121	0.121	NUM
admet-678	78	45	0.111	0.111	NUM
admet-678	78	46	0.160	0.160	NUM
admet-678	78	47	0.602	0.602	NUM
admet-678	78	48	0.248	0.248	NUM
admet-678	78	49	0.500	0.500	NUM
admet-678	78	50	0.534	0.534	NUM
admet-678	78	51	0.108	0.108	NUM
admet-678	78	52	a	a	PRON
admet-678	78	53	for	for	ADP
admet-678	78	54	an	an	DET
admet-678	78	55	explanation	explanation	NOUN
admet-678	78	56	of	of	ADP
admet-678	78	57	the	the	DET
admet-678	78	58	symbols	symbol	NOUN
admet-678	78	59	,	,	PUNCT
admet-678	78	60	refer	refer	VERB
admet-678	78	61	to	to	ADP
admet-678	78	62	the	the	DET
admet-678	78	63	text	text	NOUN
admet-678	78	64	first	first	ADV
admet-678	78	65	,	,	PUNCT
admet-678	78	66	in	in	ADP
admet-678	78	67	order	order	NOUN
admet-678	78	68	to	to	PART
admet-678	78	69	evaluate	evaluate	VERB
admet-678	78	70	the	the	DET
admet-678	78	71	data	datum	NOUN
admet-678	78	72	set	set	VERB
admet-678	78	73	distribution	distribution	NOUN
admet-678	78	74	the	the	DET
admet-678	78	75	standardized	standardized	ADJ
admet-678	78	76	skewness	skewness	NOUN
admet-678	78	77	and	and	CCONJ
admet-678	78	78	kurtosis	kurtosis	VERB
admet-678	78	79	values	value	NOUN
admet-678	78	80	were	be	AUX
admet-678	78	81	calculated	calculate	VERB
admet-678	78	82	for	for	ADP
admet-678	78	83	ra%	ra%	NOUN
admet-678	78	84	(	(	PUNCT
admet-678	78	85	n=22	n=22	PROPN
admet-678	78	86	)	)	PUNCT
admet-678	78	87	.	.	PUNCT
admet-678	79	1	skewness	skewness	NOUN
admet-678	79	2	is	be	AUX
admet-678	79	3	a	a	DET
admet-678	79	4	measure	measure	NOUN
admet-678	79	5	of	of	ADP
admet-678	79	6	symmetry	symmetry	NOUN
admet-678	79	7	,	,	PUNCT
admet-678	79	8	or	or	CCONJ
admet-678	79	9	more	more	ADV
admet-678	79	10	precisely	precisely	ADV
admet-678	79	11	,	,	PUNCT
admet-678	79	12	the	the	DET
admet-678	79	13	lack	lack	NOUN
admet-678	79	14	of	of	ADP
admet-678	79	15	symmetry	symmetry	NOUN
admet-678	79	16	;	;	PUNCT
admet-678	79	17	admet	admet	PROPN
admet-678	79	18	&	&	CCONJ
admet-678	79	19	dmpk	dmpk	PROPN
admet-678	79	20	7(3	7(3	NUM
admet-678	79	21	)	)	PUNCT
admet-678	79	22	(	(	PUNCT
admet-678	79	23	2019	2019	NUM
admet-678	79	24	)	)	PUNCT
admet-678	79	25	196	196	NUM
admet-678	79	26	-	-	SYM
admet-678	79	27	209	209	NUM
admet-678	79	28	organosulfur	organosulfur	NOUN
admet-678	79	29	–	–	PUNCT
admet-678	79	30	cyp2a6	cyp2a6	NOUN
admet-678	79	31	qsar	qsar	NOUN
admet-678	79	32	study	study	NOUN
admet-678	79	33	doi	doi	NOUN
admet-678	79	34	:	:	PUNCT
admet-678	79	35	10.5599	10.5599	NUM
admet-678	79	36	/	/	SYM
admet-678	79	37	admet.678	admet.678	NOUN
admet-678	79	38	201	201	NUM
admet-678	79	39	and	and	CCONJ
admet-678	79	40	kurtosis	kurtosis	NOUN
admet-678	79	41	indicates	indicate	VERB
admet-678	79	42	whether	whether	SCONJ
admet-678	79	43	the	the	DET
admet-678	79	44	data	data	NOUN
admet-678	79	45	distribution	distribution	NOUN
admet-678	79	46	is	be	AUX
admet-678	79	47	heavy	heavy	ADV
admet-678	79	48	-	-	PUNCT
admet-678	79	49	tailed	tail	VERB
admet-678	79	50	or	or	CCONJ
admet-678	79	51	light	light	ADJ
admet-678	79	52	-	-	PUNCT
admet-678	79	53	tailed	tail	VERB
admet-678	79	54	relative	relative	NOUN
admet-678	79	55	to	to	ADP
admet-678	79	56	a	a	DET
admet-678	79	57	normal	normal	ADJ
admet-678	79	58	distribution	distribution	NOUN
admet-678	79	59	.	.	PUNCT
admet-678	80	1	in	in	ADP
admet-678	80	2	other	other	ADJ
admet-678	80	3	words	word	NOUN
admet-678	80	4	,	,	PUNCT
admet-678	80	5	data	datum	NOUN
admet-678	80	6	sets	set	NOUN
admet-678	80	7	with	with	ADP
admet-678	80	8	high	high	ADJ
admet-678	80	9	kurtosis	kurtosis	NOUN
admet-678	80	10	tend	tend	VERB
admet-678	80	11	to	to	PART
admet-678	80	12	have	have	VERB
admet-678	80	13	heavy	heavy	ADJ
admet-678	80	14	tails	tail	NOUN
admet-678	80	15	,	,	PUNCT
admet-678	80	16	or	or	CCONJ
admet-678	80	17	outliers	outlier	NOUN
admet-678	80	18	.	.	PUNCT
admet-678	81	1	the	the	DET
admet-678	81	2	obtained	obtain	VERB
admet-678	81	3	results	result	NOUN
admet-678	81	4	considering	consider	VERB
admet-678	81	5	ra%	ra%	NOUN
admet-678	81	6	were	be	AUX
admet-678	81	7	-1.5517	-1.5517	PUNCT
admet-678	81	8	and	and	CCONJ
admet-678	81	9	-0.2634	-0.2634	VERB
admet-678	81	10	for	for	ADP
admet-678	81	11	the	the	DET
admet-678	81	12	standardized	standardized	ADJ
admet-678	81	13	skewness	skewness	NOUN
admet-678	81	14	and	and	CCONJ
admet-678	81	15	kurtosis	kurtosis	VERB
admet-678	81	16	values	value	NOUN
admet-678	81	17	,	,	PUNCT
admet-678	81	18	respectively	respectively	ADV
admet-678	81	19	.	.	PUNCT
admet-678	82	1	values	value	NOUN
admet-678	82	2	outside	outside	ADP
admet-678	82	3	-2	-2	INTJ
admet-678	82	4	to	to	ADP
admet-678	82	5	+2	+2	PROPN
admet-678	82	6	range	range	NOUN
admet-678	82	7	indicate	indicate	VERB
admet-678	82	8	significant	significant	ADJ
admet-678	82	9	departures	departure	NOUN
admet-678	82	10	from	from	ADP
admet-678	82	11	normality	normality	NOUN
admet-678	82	12	.	.	PUNCT
admet-678	83	1	in	in	ADP
admet-678	83	2	this	this	DET
admet-678	83	3	case	case	NOUN
admet-678	83	4	,	,	PUNCT
admet-678	83	5	the	the	DET
admet-678	83	6	obtained	obtain	VERB
admet-678	83	7	values	value	NOUN
admet-678	83	8	are	be	AUX
admet-678	83	9	within	within	ADP
admet-678	83	10	the	the	DET
admet-678	83	11	expected	expect	VERB
admet-678	83	12	range	range	NOUN
admet-678	83	13	for	for	ADP
admet-678	83	14	data	datum	NOUN
admet-678	83	15	presenting	present	VERB
admet-678	83	16	normal	normal	ADJ
admet-678	83	17	distribution	distribution	NOUN
admet-678	83	18	.	.	PUNCT
admet-678	84	1	on	on	ADP
admet-678	84	2	the	the	DET
admet-678	84	3	other	other	ADJ
admet-678	84	4	hand	hand	NOUN
admet-678	84	5	,	,	PUNCT
admet-678	84	6	because	because	SCONJ
admet-678	84	7	of	of	ADP
admet-678	84	8	the	the	DET
admet-678	84	9	large	large	ADJ
admet-678	84	10	number	number	NOUN
admet-678	84	11	of	of	ADP
admet-678	84	12	structural	structural	ADJ
admet-678	84	13	descriptors	descriptor	NOUN
admet-678	84	14	considered	consider	VERB
admet-678	84	15	in	in	ADP
admet-678	84	16	this	this	DET
admet-678	84	17	study	study	NOUN
admet-678	84	18	,	,	PUNCT
admet-678	84	19	the	the	DET
admet-678	84	20	vip	vip	NOUN
admet-678	84	21	(	(	PUNCT
admet-678	84	22	variable	variable	ADJ
admet-678	84	23	importance	importance	NOUN
admet-678	84	24	for	for	ADP
admet-678	84	25	the	the	DET
admet-678	84	26	projection	projection	NOUN
admet-678	84	27	)	)	PUNCT
admet-678	84	28	parameter	parameter	NOUN
admet-678	85	1	[	[	X
admet-678	85	2	18	18	NUM
admet-678	85	3	]	]	PUNCT
admet-678	85	4	was	be	AUX
admet-678	85	5	used	use	VERB
admet-678	85	6	to	to	PART
admet-678	85	7	unravel	unravel	VERB
admet-678	85	8	which	which	DET
admet-678	85	9	descriptors	descriptor	NOUN
admet-678	85	10	were	be	AUX
admet-678	85	11	relevant	relevant	ADJ
admet-678	85	12	to	to	PART
admet-678	85	13	explain	explain	VERB
admet-678	85	14	the	the	DET
admet-678	85	15	enzyme	enzyme	NOUN
admet-678	85	16	activity	activity	NOUN
admet-678	85	17	.	.	PUNCT
admet-678	86	1	vip	vip	NOUN
admet-678	86	2	is	be	AUX
admet-678	86	3	based	base	VERB
admet-678	86	4	on	on	ADP
admet-678	86	5	the	the	DET
admet-678	86	6	pls	pls	PROPN
admet-678	86	7	projection	projection	NOUN
admet-678	86	8	method	method	NOUN
admet-678	86	9	,	,	PUNCT
admet-678	86	10	which	which	PRON
admet-678	86	11	constitutes	constitute	VERB
admet-678	86	12	a	a	DET
admet-678	86	13	robust	robust	ADJ
admet-678	86	14	method	method	NOUN
admet-678	86	15	for	for	ADP
admet-678	86	16	variables	variable	NOUN
admet-678	86	17	selection	selection	NOUN
admet-678	86	18	.	.	PUNCT
admet-678	87	1	considering	consider	VERB
admet-678	87	2	the	the	DET
admet-678	87	3	arguments	argument	NOUN
admet-678	87	4	presented	present	VERB
admet-678	87	5	by	by	ADP
admet-678	87	6	yano	yano	PROPN
admet-678	87	7	et	et	PROPN
admet-678	87	8	al	al	PROPN
admet-678	87	9	.	.	PROPN
admet-678	88	1	(	(	PUNCT
admet-678	88	2	2006	2006	NUM
admet-678	88	3	)	)	PUNCT
admet-678	89	1	[	[	X
admet-678	89	2	22	22	NUM
admet-678	89	3	]	]	PUNCT
admet-678	89	4	along	along	ADP
admet-678	89	5	with	with	ADP
admet-678	89	6	other	other	ADJ
admet-678	89	7	background	background	NOUN
admet-678	89	8	qsar	qsar	NOUN
admet-678	89	9	studies	study	NOUN
admet-678	89	10	about	about	ADP
admet-678	89	11	cyp2a6	cyp2a6	NOUN
admet-678	89	12	enzyme	enzyme	NOUN
admet-678	89	13	,	,	PUNCT
admet-678	89	14	which	which	PRON
admet-678	89	15	showed	show	VERB
admet-678	89	16	that	that	SCONJ
admet-678	89	17	the	the	DET
admet-678	89	18	nature	nature	NOUN
admet-678	89	19	of	of	ADP
admet-678	89	20	the	the	DET
admet-678	89	21	enzyme	enzyme	NOUN
admet-678	89	22	active	active	ADJ
admet-678	89	23	site	site	NOUN
admet-678	89	24	is	be	AUX
admet-678	89	25	strongly	strongly	ADV
admet-678	89	26	hydrophobic	hydrophobic	ADJ
admet-678	89	27	,	,	PUNCT
admet-678	89	28	it	it	PRON
admet-678	89	29	was	be	AUX
admet-678	89	30	decided	decide	VERB
admet-678	89	31	first	first	ADV
admet-678	89	32	,	,	PUNCT
admet-678	89	33	to	to	PART
admet-678	89	34	study	study	VERB
admet-678	89	35	the	the	DET
admet-678	89	36	relationship	relationship	NOUN
admet-678	89	37	between	between	ADP
admet-678	89	38	activity	activity	NOUN
admet-678	89	39	and	and	CCONJ
admet-678	89	40	lipophilicity	lipophilicity	NOUN
admet-678	89	41	.	.	PUNCT
admet-678	90	1	after	after	ADP
admet-678	90	2	using	use	VERB
admet-678	90	3	several	several	ADJ
admet-678	90	4	calculated	calculate	VERB
admet-678	90	5	log	log	NOUN
admet-678	90	6	p	p	NOUN
admet-678	90	7	parameters	parameter	NOUN
admet-678	90	8	,	,	PUNCT
admet-678	90	9	the	the	DET
admet-678	90	10	obtained	obtain	VERB
admet-678	90	11	equations	equation	NOUN
admet-678	90	12	showed	show	VERB
admet-678	90	13	no	no	DET
admet-678	90	14	significant	significant	ADJ
admet-678	90	15	correlations	correlation	NOUN
admet-678	90	16	in	in	ADP
admet-678	90	17	this	this	DET
admet-678	90	18	direction	direction	NOUN
admet-678	90	19	.	.	PUNCT
admet-678	91	1	on	on	ADP
admet-678	91	2	the	the	DET
admet-678	91	3	other	other	ADJ
admet-678	91	4	hand	hand	NOUN
admet-678	91	5	,	,	PUNCT
admet-678	91	6	since	since	SCONJ
admet-678	91	7	lipophilicity	lipophilicity	NOUN
admet-678	91	8	can	can	AUX
admet-678	91	9	be	be	AUX
admet-678	91	10	described	describe	VERB
admet-678	91	11	by	by	ADP
admet-678	91	12	the	the	DET
admet-678	91	13	contribution	contribution	NOUN
admet-678	91	14	of	of	ADP
admet-678	91	15	the	the	DET
admet-678	91	16	molecular	molecular	ADJ
admet-678	91	17	size	size	NOUN
admet-678	91	18	and	and	CCONJ
admet-678	91	19	molecular	molecular	ADJ
admet-678	91	20	polarity	polarity	NOUN
admet-678	91	21	,	,	PUNCT
admet-678	91	22	models	model	NOUN
admet-678	91	23	that	that	PRON
admet-678	91	24	incorporated	incorporate	VERB
admet-678	91	25	both	both	DET
admet-678	91	26	molecular	molecular	ADJ
admet-678	91	27	properties	property	NOUN
admet-678	91	28	were	be	AUX
admet-678	91	29	investigated	investigate	VERB
admet-678	91	30	.	.	PUNCT
admet-678	92	1	the	the	DET
admet-678	92	2	best	good	ADJ
admet-678	92	3	regression	regression	NOUN
admet-678	92	4	equation	equation	NOUN
admet-678	92	5	that	that	PRON
admet-678	92	6	includes	include	VERB
admet-678	92	7	the	the	DET
admet-678	92	8	parameter	parameter	NOUN
admet-678	92	9	clogp	clogp	NOUN
admet-678	92	10	,	,	PUNCT
admet-678	92	11	was	be	AUX
admet-678	92	12	:	:	PUNCT
admet-678	92	13	ra%	ra%	NOUN
admet-678	92	14	=	=	SYM
admet-678	92	15	-193.05	-193.05	PROPN
admet-678	92	16	(	(	PUNCT
admet-678	92	17	30.01	30.01	NUM
admet-678	92	18	)	)	PUNCT
admet-678	92	19	+	+	CCONJ
admet-678	92	20	11.60	11.60	NUM
admet-678	92	21	(	(	PUNCT
admet-678	92	22	3,13	3,13	NUM
admet-678	92	23	)	)	PUNCT
admet-678	92	24	clogp	clogp	NOUN
admet-678	93	1	+	+	NUM
admet-678	93	2	17.76	17.76	NUM
admet-678	93	3	(	(	PUNCT
admet-678	93	4	2.50	2.50	NUM
admet-678	93	5	)	)	PUNCT
admet-678	93	6	µ	µ	X
admet-678	93	7	(	(	PUNCT
admet-678	93	8	1	1	NUM
admet-678	93	9	)	)	PUNCT
admet-678	93	10	(	(	PUNCT
admet-678	93	11	0.000	0.000	NUM
admet-678	93	12	)	)	PUNCT
admet-678	93	13	(	(	PUNCT
admet-678	93	14	0.002	0.002	NUM
admet-678	93	15	)	)	PUNCT
admet-678	93	16	(	(	PUNCT
admet-678	93	17	0.000	0.000	NUM
admet-678	93	18	)	)	PUNCT
admet-678	94	1	+	+	CCONJ
admet-678	94	2	126.33	126.33	NUM
admet-678	94	3	(	(	PUNCT
admet-678	94	4	16.40	16.40	NUM
admet-678	94	5	)	)	PUNCT
admet-678	94	6	e3u	e3u	NOUN
admet-678	94	7	+	+	CCONJ
admet-678	94	8	823.4	823.4	NUM
admet-678	94	9	(	(	PUNCT
admet-678	94	10	113.5	113.5	NUM
admet-678	94	11	)	)	PUNCT
admet-678	94	12	rpcg	rpcg	PROPN
admet-678	95	1	+	+	NUM
admet-678	95	2	81.78	81.78	NUM
admet-678	95	3	(	(	PUNCT
admet-678	95	4	18,63	18,63	NUM
admet-678	95	5	)	)	PUNCT
admet-678	95	6	asp	asp	NOUN
admet-678	95	7	(	(	PUNCT
admet-678	95	8	0.000	0.000	NUM
admet-678	95	9	)	)	PUNCT
admet-678	95	10	(	(	PUNCT
admet-678	95	11	0.000	0.000	NUM
admet-678	95	12	)	)	PUNCT
admet-678	95	13	(	(	PUNCT
admet-678	95	14	0.000	0.000	X
admet-678	95	15	)	)	PUNCT
admet-678	95	16	r2	r2	NOUN
admet-678	95	17	=	=	SYM
admet-678	95	18	0.90	0.90	NUM
admet-678	95	19	;	;	PUNCT
admet-678	95	20	r2(cv	r2(cv	PROPN
admet-678	95	21	)	)	PUNCT
admet-678	96	1	=	=	SYM
admet-678	96	2	0.673	0.673	NUM
admet-678	96	3	;	;	PUNCT
admet-678	96	4	s	s	VERB
admet-678	96	5	=	=	NOUN
admet-678	96	6	10.83	10.83	NUM
admet-678	96	7	;	;	PUNCT
admet-678	96	8	n	n	PROPN
admet-678	96	9	=	=	SYM
admet-678	96	10	22	22	NUM
admet-678	96	11	;	;	PUNCT
admet-678	96	12	f	f	PROPN
admet-678	96	13	=	=	SYM
admet-678	96	14	28.77	28.77	NUM
admet-678	96	15	;	;	PUNCT
admet-678	97	1	wclogp	wclogp	NOUN
admet-678	97	2	=	=	NOUN
admet-678	97	3	0.441	0.441	NUM
admet-678	97	4	;	;	PUNCT
admet-678	97	5	wµ	wµ	ADP
admet-678	97	6	=	=	NOUN
admet-678	97	7	0.646	0.646	NUM
admet-678	97	8	;	;	PUNCT
admet-678	97	9	we3u	we3u	NOUN
admet-678	97	10	=	=	SYM
admet-678	97	11	0.693	0.693	NUM
admet-678	97	12	;	;	PUNCT
admet-678	97	13	wrpcg	wrpcg	PROPN
admet-678	97	14	=	=	NOUN
admet-678	97	15	1.041	1.041	NUM
admet-678	97	16	;	;	PUNCT
admet-678	97	17	wasp	wasp	NOUN
admet-678	97	18	=	=	NOUN
admet-678	97	19	0.489	0.489	NUM
admet-678	97	20	in	in	ADP
admet-678	97	21	equation	equation	NOUN
admet-678	97	22	(	(	PUNCT
admet-678	97	23	1	1	NUM
admet-678	97	24	)	)	PUNCT
admet-678	97	25	and	and	CCONJ
admet-678	97	26	the	the	DET
admet-678	97	27	following	follow	VERB
admet-678	97	28	equations	equation	NOUN
admet-678	97	29	,	,	PUNCT
admet-678	97	30	n	n	X
admet-678	97	31	is	be	AUX
admet-678	97	32	the	the	DET
admet-678	97	33	number	number	NOUN
admet-678	97	34	of	of	ADP
admet-678	97	35	compounds	compound	NOUN
admet-678	97	36	,	,	PUNCT
admet-678	97	37	s	s	X
admet-678	97	38	is	be	AUX
admet-678	97	39	the	the	DET
admet-678	97	40	standard	standard	ADJ
admet-678	97	41	deviation	deviation	NOUN
admet-678	97	42	,	,	PUNCT
admet-678	97	43	r2	r2	PROPN
admet-678	97	44	is	be	AUX
admet-678	97	45	the	the	DET
admet-678	97	46	squared	square	VERB
admet-678	97	47	correlation	correlation	NOUN
admet-678	97	48	coefficient	coefficient	NOUN
admet-678	97	49	,	,	PUNCT
admet-678	97	50	r2(cv	r2(cv	PROPN
admet-678	97	51	)	)	PUNCT
admet-678	97	52	is	be	AUX
admet-678	97	53	the	the	DET
admet-678	97	54	squared	square	VERB
admet-678	97	55	crossvalidation	crossvalidation	NOUN
admet-678	97	56	coefficient	coefficient	NOUN
admet-678	97	57	,	,	PUNCT
admet-678	97	58	and	and	CCONJ
admet-678	97	59	f	f	PROPN
admet-678	97	60	is	be	AUX
admet-678	97	61	the	the	DET
admet-678	97	62	fisher	fisher	PROPN
admet-678	97	63	f	f	PROPN
admet-678	97	64	statistic	statistic	PROPN
admet-678	97	65	.	.	PUNCT
admet-678	98	1	values	value	NOUN
admet-678	98	2	in	in	ADP
admet-678	98	3	parentheses	parenthesis	NOUN
admet-678	98	4	correspond	correspond	VERB
admet-678	98	5	to	to	ADP
admet-678	98	6	the	the	DET
admet-678	98	7	standard	standard	ADJ
admet-678	98	8	deviations	deviation	NOUN
admet-678	98	9	and	and	CCONJ
admet-678	98	10	p	p	NOUN
admet-678	98	11	-	-	PUNCT
admet-678	98	12	values	value	NOUN
admet-678	98	13	of	of	ADP
admet-678	98	14	coefficients	coefficient	NOUN
admet-678	98	15	,	,	PUNCT
admet-678	98	16	and	and	CCONJ
admet-678	98	17	the	the	DET
admet-678	98	18	term	term	NOUN
admet-678	98	19	w	w	PROPN
admet-678	98	20	,	,	PUNCT
admet-678	98	21	represents	represent	VERB
admet-678	98	22	the	the	DET
admet-678	98	23	standardized	standardized	ADJ
admet-678	98	24	regression	regression	NOUN
admet-678	98	25	coefficient	coefficient	NOUN
admet-678	98	26	when	when	SCONJ
admet-678	98	27	variables	variable	NOUN
admet-678	98	28	are	be	AUX
admet-678	98	29	scaled	scale	VERB
admet-678	98	30	to	to	ADP
admet-678	98	31	the	the	DET
admet-678	98	32	same	same	ADJ
admet-678	98	33	numerical	numerical	ADJ
admet-678	98	34	range	range	NOUN
admet-678	98	35	(	(	PUNCT
admet-678	98	36	0	0	NUM
admet-678	98	37	-	-	SYM
admet-678	98	38	1	1	NUM
admet-678	98	39	)	)	PUNCT
admet-678	98	40	.	.	PUNCT
admet-678	99	1	the	the	DET
admet-678	99	2	statistical	statistical	ADJ
admet-678	99	3	quality	quality	NOUN
admet-678	99	4	of	of	ADP
admet-678	99	5	the	the	DET
admet-678	99	6	model	model	NOUN
admet-678	99	7	is	be	AUX
admet-678	99	8	suitable	suitable	ADJ
admet-678	99	9	.	.	PUNCT
admet-678	100	1	although	although	SCONJ
admet-678	100	2	the	the	DET
admet-678	100	3	relationship	relationship	NOUN
admet-678	100	4	between	between	ADP
admet-678	100	5	numbers	number	NOUN
admet-678	100	6	of	of	ADP
admet-678	100	7	observations	observation	NOUN
admet-678	100	8	versus	versus	ADP
admet-678	100	9	the	the	DET
admet-678	100	10	number	number	NOUN
admet-678	100	11	of	of	ADP
admet-678	100	12	variables	variable	NOUN
admet-678	100	13	is	be	AUX
admet-678	100	14	high	high	ADJ
admet-678	100	15	,	,	PUNCT
admet-678	100	16	the	the	DET
admet-678	100	17	good	good	ADJ
admet-678	100	18	quality	quality	NOUN
admet-678	100	19	in	in	ADP
admet-678	100	20	fit	fit	ADJ
admet-678	100	21	and	and	CCONJ
admet-678	100	22	predictive	predictive	ADJ
admet-678	100	23	ability	ability	NOUN
admet-678	100	24	,	,	PUNCT
admet-678	100	25	as	as	SCONJ
admet-678	100	26	expressed	express	VERB
admet-678	100	27	by	by	ADP
admet-678	100	28	r2	r2	PROPN
admet-678	100	29	and	and	CCONJ
admet-678	100	30	r2(cv	r2(cv	PROPN
admet-678	100	31	)	)	PUNCT
admet-678	100	32	coefficients	coefficient	NOUN
admet-678	100	33	,	,	PUNCT
admet-678	100	34	suggests	suggest	VERB
admet-678	100	35	that	that	SCONJ
admet-678	100	36	the	the	DET
admet-678	100	37	obtained	obtain	VERB
admet-678	100	38	model	model	NOUN
admet-678	100	39	is	be	AUX
admet-678	100	40	valid	valid	ADJ
admet-678	100	41	.	.	PUNCT
admet-678	101	1	other	other	ADJ
admet-678	101	2	models	model	NOUN
admet-678	101	3	were	be	AUX
admet-678	101	4	also	also	ADV
admet-678	101	5	investigated	investigate	VERB
admet-678	101	6	,	,	PUNCT
admet-678	101	7	in	in	ADP
admet-678	101	8	which	which	PRON
admet-678	101	9	the	the	DET
admet-678	101	10	relationship	relationship	NOUN
admet-678	101	11	between	between	ADP
admet-678	101	12	observations	observation	NOUN
admet-678	101	13	/	/	SYM
admet-678	101	14	variables	variable	NOUN
admet-678	101	15	were	be	AUX
admet-678	101	16	lower	low	ADJ
admet-678	101	17	in	in	ADP
admet-678	101	18	relation	relation	NOUN
admet-678	101	19	to	to	ADP
admet-678	101	20	the	the	DET
admet-678	101	21	previously	previously	ADV
admet-678	101	22	derived	derive	VERB
admet-678	101	23	equation	equation	NOUN
admet-678	101	24	.	.	PUNCT
admet-678	102	1	ra%	ra%	NOUN
admet-678	102	2	=	=	PUNCT
admet-678	102	3	301.77	301.77	NUM
admet-678	102	4	(	(	PUNCT
admet-678	102	5	82.54	82.54	NUM
admet-678	102	6	)	)	PUNCT
admet-678	102	7	+	+	CCONJ
admet-678	102	8	39.177	39.177	NUM
admet-678	102	9	(	(	PUNCT
admet-678	102	10	9.379	9.379	NUM
admet-678	102	11	)	)	PUNCT
admet-678	102	12	ehomo	ehomo	NOUN
admet-678	102	13	+	+	CCONJ
admet-678	103	1	130.41	130.41	NUM
admet-678	103	2	(	(	PUNCT
admet-678	103	3	18.08	18.08	NUM
admet-678	103	4	)	)	PUNCT
admet-678	103	5	e3u	e3u	NOUN
admet-678	103	6	(	(	PUNCT
admet-678	103	7	2	2	NUM
admet-678	103	8	)	)	PUNCT
admet-678	103	9	(	(	PUNCT
admet-678	103	10	0.002	0.002	NUM
admet-678	103	11	)	)	PUNCT
admet-678	103	12	(	(	PUNCT
admet-678	103	13	0.001	0.001	NUM
admet-678	103	14	)	)	PUNCT
admet-678	103	15	(	(	PUNCT
admet-678	103	16	0.000	0.000	NUM
admet-678	103	17	)	)	PUNCT
admet-678	104	1	+	+	CCONJ
admet-678	104	2	15.155	15.155	NUM
admet-678	104	3	(	(	PUNCT
admet-678	104	4	2.744	2.744	NUM
admet-678	104	5	)	)	PUNCT
admet-678	104	6	µ	µ	NOUN
admet-678	104	7	+	+	NOUN
admet-678	104	8	333.23	333.23	NUM
admet-678	104	9	(	(	PUNCT
admet-678	104	10	76.60	76.60	NUM
admet-678	104	11	)	)	PUNCT
admet-678	104	12	rpcg	rpcg	PROPN
admet-678	104	13	(	(	PUNCT
admet-678	104	14	0.000	0.000	NUM
admet-678	104	15	)	)	PUNCT
admet-678	104	16	(	(	PUNCT
admet-678	104	17	0.000	0.000	X
admet-678	104	18	)	)	PUNCT
admet-678	104	19	r2	r2	NOUN
admet-678	104	20	=	=	PUNCT
admet-678	104	21	0.853	0.853	NUM
admet-678	104	22	;	;	PUNCT
admet-678	104	23	r2(cv	r2(cv	PROPN
admet-678	104	24	)	)	PUNCT
admet-678	104	25	=	=	PUNCT
admet-678	104	26	0.783	0.783	NUM
admet-678	104	27	;	;	PUNCT
admet-678	104	28	s	s	X
admet-678	104	29	=	=	NOUN
admet-678	104	30	12.71	12.71	NUM
admet-678	104	31	;	;	PUNCT
admet-678	104	32	n	n	PROPN
admet-678	104	33	=	=	SYM
admet-678	104	34	22	22	NUM
admet-678	104	35	;	;	PUNCT
admet-678	104	36	f	f	PROPN
admet-678	104	37	=	=	SYM
admet-678	104	38	24.71	24.71	NUM
admet-678	104	39	;	;	PUNCT
admet-678	104	40	wehomo	wehomo	PROPN
admet-678	104	41	=	=	PROPN
admet-678	104	42	0.415	0.415	NUM
admet-678	104	43	;	;	PUNCT
admet-678	104	44	we3u	we3u	NOUN
admet-678	104	45	=	=	SYM
admet-678	104	46	0.715	0.715	NUM
admet-678	104	47	;	;	PUNCT
admet-678	104	48	wµ	wµ	ADP
admet-678	104	49	=	=	NOUN
admet-678	104	50	0.551	0.551	NUM
admet-678	104	51	;	;	PUNCT
admet-678	104	52	wrpcg	wrpcg	PROPN
admet-678	104	53	=	=	PROPN
admet-678	104	54	0.421	0.421	NUM
admet-678	104	55	d.a	d.a	PROPN
admet-678	104	56	.	.	PROPN
admet-678	104	57	ramirez	ramirez	PROPN
admet-678	104	58	et	et	PROPN
admet-678	104	59	al	al	PROPN
admet-678	104	60	.	.	PROPN
admet-678	104	61	admet	admet	PROPN
admet-678	104	62	&	&	CCONJ
admet-678	104	63	dmpk	dmpk	PROPN
admet-678	104	64	7(3	7(3	NUM
admet-678	104	65	)	)	PUNCT
admet-678	104	66	(	(	PUNCT
admet-678	104	67	2019	2019	NUM
admet-678	104	68	)	)	PUNCT
admet-678	104	69	196	196	NUM
admet-678	104	70	-	-	SYM
admet-678	104	71	209	209	NUM
admet-678	104	72	202	202	NUM
admet-678	104	73	this	this	DET
admet-678	104	74	equation	equation	NOUN
admet-678	104	75	is	be	AUX
admet-678	104	76	highly	highly	ADV
admet-678	104	77	significant	significant	ADJ
admet-678	104	78	,	,	PUNCT
admet-678	104	79	and	and	CCONJ
admet-678	104	80	the	the	DET
admet-678	104	81	molecular	molecular	ADJ
admet-678	104	82	descriptors	descriptor	NOUN
admet-678	104	83	here	here	ADV
admet-678	104	84	used	use	VERB
admet-678	104	85	,	,	PUNCT
admet-678	104	86	did	do	AUX
admet-678	104	87	not	not	PART
admet-678	104	88	show	show	VERB
admet-678	104	89	significant	significant	ADJ
admet-678	104	90	intercorrelations	intercorrelation	NOUN
admet-678	104	91	.	.	PUNCT
admet-678	105	1	figure	figure	NOUN
admet-678	105	2	1	1	NUM
admet-678	105	3	shows	show	VERB
admet-678	105	4	the	the	DET
admet-678	105	5	relationships	relationship	NOUN
admet-678	105	6	between	between	ADP
admet-678	105	7	the	the	DET
admet-678	105	8	experimental	experimental	ADJ
admet-678	105	9	and	and	CCONJ
admet-678	105	10	calculated	calculate	VERB
admet-678	105	11	residual	residual	ADJ
admet-678	105	12	activity	activity	NOUN
admet-678	105	13	(	(	PUNCT
admet-678	105	14	ra%	ra%	NOUN
admet-678	105	15	)	)	PUNCT
admet-678	105	16	for	for	ADP
admet-678	105	17	equations	equation	NOUN
admet-678	105	18	(	(	PUNCT
admet-678	105	19	1	1	NUM
admet-678	105	20	)	)	PUNCT
admet-678	105	21	and	and	CCONJ
admet-678	105	22	(	(	PUNCT
admet-678	105	23	2	2	NUM
admet-678	105	24	)	)	PUNCT
admet-678	105	25	,	,	PUNCT
admet-678	105	26	respectively	respectively	ADV
admet-678	105	27	.	.	PUNCT
admet-678	106	1	an	an	DET
admet-678	106	2	interesting	interesting	ADJ
admet-678	106	3	point	point	NOUN
admet-678	106	4	to	to	PART
admet-678	106	5	highlight	highlight	VERB
admet-678	106	6	in	in	ADP
admet-678	106	7	this	this	DET
admet-678	106	8	equation	equation	NOUN
admet-678	106	9	is	be	AUX
admet-678	106	10	an	an	DET
admet-678	106	11	improvement	improvement	NOUN
admet-678	106	12	in	in	ADP
admet-678	106	13	the	the	DET
admet-678	106	14	crossvalidation	crossvalidation	NOUN
admet-678	106	15	coefficient	coefficient	NOUN
admet-678	106	16	value	value	NOUN
admet-678	106	17	,	,	PUNCT
admet-678	106	18	which	which	PRON
admet-678	106	19	suggests	suggest	VERB
admet-678	106	20	a	a	DET
admet-678	106	21	better	well	ADJ
admet-678	106	22	predictive	predictive	ADJ
admet-678	106	23	ability	ability	NOUN
admet-678	106	24	.	.	PUNCT
admet-678	107	1	figure	figure	NOUN
admet-678	107	2	1	1	NUM
admet-678	107	3	.	.	X
admet-678	107	4	relationship	relationship	NOUN
admet-678	107	5	between	between	ADP
admet-678	107	6	observed	observed	ADJ
admet-678	107	7	and	and	CCONJ
admet-678	107	8	calculated	calculate	VERB
admet-678	107	9	values	value	NOUN
admet-678	107	10	for	for	ADP
admet-678	107	11	(	(	PUNCT
admet-678	107	12	a	a	PRON
admet-678	107	13	)	)	PUNCT
admet-678	107	14	equations	equation	NOUN
admet-678	107	15	(	(	PUNCT
admet-678	107	16	1	1	NUM
admet-678	107	17	)	)	PUNCT
admet-678	107	18	and	and	CCONJ
admet-678	107	19	(	(	PUNCT
admet-678	107	20	b	b	NOUN
admet-678	107	21	)	)	PUNCT
admet-678	107	22	equation	equation	NOUN
admet-678	107	23	(	(	PUNCT
admet-678	107	24	2	2	X
admet-678	107	25	)	)	PUNCT
admet-678	107	26	an	an	DET
admet-678	107	27	alternative	alternative	ADJ
admet-678	107	28	way	way	NOUN
admet-678	107	29	to	to	PART
admet-678	107	30	evaluate	evaluate	VERB
admet-678	107	31	the	the	DET
admet-678	107	32	reliability	reliability	NOUN
admet-678	107	33	and	and	CCONJ
admet-678	107	34	robustness	robustness	NOUN
admet-678	107	35	of	of	ADP
admet-678	107	36	a	a	DET
admet-678	107	37	qsar	qsar	NOUN
admet-678	107	38	model	model	NOUN
admet-678	107	39	consists	consist	VERB
admet-678	107	40	in	in	ADP
admet-678	107	41	applying	apply	VERB
admet-678	107	42	different	different	ADJ
admet-678	107	43	statistical	statistical	ADJ
admet-678	107	44	approaches	approach	NOUN
admet-678	107	45	,	,	PUNCT
admet-678	107	46	but	but	CCONJ
admet-678	107	47	using	use	VERB
admet-678	107	48	the	the	DET
admet-678	107	49	same	same	ADJ
admet-678	107	50	descriptors	descriptor	NOUN
admet-678	107	51	that	that	PRON
admet-678	107	52	have	have	AUX
admet-678	107	53	been	be	AUX
admet-678	107	54	included	include	VERB
admet-678	107	55	in	in	ADP
admet-678	107	56	the	the	DET
admet-678	107	57	original	original	ADJ
admet-678	107	58	model	model	NOUN
admet-678	107	59	.	.	PUNCT
admet-678	108	1	accordingly	accordingly	ADV
admet-678	108	2	,	,	PUNCT
admet-678	108	3	a	a	DET
admet-678	108	4	linear	linear	ADJ
admet-678	108	5	discriminant	discriminant	ADJ
admet-678	108	6	analysis	analysis	NOUN
admet-678	108	7	(	(	PUNCT
admet-678	108	8	lda	lda	PROPN
admet-678	108	9	)	)	PUNCT
admet-678	108	10	was	be	AUX
admet-678	108	11	carried	carry	VERB
admet-678	108	12	out	out	ADP
admet-678	108	13	based	base	VERB
admet-678	108	14	on	on	ADP
admet-678	108	15	the	the	DET
admet-678	108	16	molecular	molecular	ADJ
admet-678	108	17	descriptors	descriptor	NOUN
admet-678	108	18	used	use	VERB
admet-678	108	19	in	in	ADP
admet-678	108	20	equation	equation	NOUN
admet-678	108	21	(	(	PUNCT
admet-678	108	22	2	2	NUM
admet-678	108	23	)	)	PUNCT
admet-678	108	24	to	to	PART
admet-678	108	25	maintain	maintain	VERB
admet-678	108	26	an	an	DET
admet-678	108	27	adequate	adequate	ADJ
admet-678	108	28	balance	balance	NOUN
admet-678	108	29	between	between	ADP
admet-678	108	30	the	the	DET
admet-678	108	31	numbers	number	NOUN
admet-678	108	32	of	of	ADP
admet-678	108	33	observations	observation	NOUN
admet-678	108	34	vs.	vs.	ADP
admet-678	108	35	the	the	DET
admet-678	108	36	number	number	NOUN
admet-678	108	37	of	of	ADP
admet-678	108	38	independent	independent	ADJ
admet-678	108	39	variables	variable	NOUN
admet-678	108	40	.	.	PUNCT
admet-678	109	1	taking	take	VERB
admet-678	109	2	into	into	ADP
admet-678	109	3	account	account	NOUN
admet-678	109	4	the	the	DET
admet-678	109	5	information	information	NOUN
admet-678	109	6	from	from	ADP
admet-678	109	7	the	the	DET
admet-678	109	8	inhibitory	inhibitory	ADJ
admet-678	109	9	activity	activity	NOUN
admet-678	109	10	data	datum	NOUN
admet-678	109	11	,	,	PUNCT
admet-678	109	12	the	the	DET
admet-678	109	13	compounds	compound	NOUN
admet-678	109	14	were	be	AUX
admet-678	109	15	separated	separate	VERB
admet-678	109	16	into	into	ADP
admet-678	109	17	three	three	NUM
admet-678	109	18	groups	group	NOUN
admet-678	109	19	,	,	PUNCT
admet-678	109	20	namely	namely	ADV
admet-678	109	21	highly	highly	ADV
admet-678	109	22	active	active	ADJ
admet-678	109	23	(	(	PUNCT
admet-678	109	24	ra%	ra%	NOUN
admet-678	109	25	1	1	NUM
admet-678	109	26	-	-	SYM
admet-678	109	27	10	10	NUM
admet-678	109	28	)	)	PUNCT
admet-678	109	29	,	,	PUNCT
admet-678	109	30	active	active	ADJ
admet-678	109	31	and	and	CCONJ
admet-678	109	32	weakly	weakly	ADV
admet-678	109	33	active	active	ADJ
admet-678	109	34	(	(	PUNCT
admet-678	109	35	ra%	ra%	NOUN
admet-678	109	36	11	11	NUM
admet-678	109	37	-	-	SYM
admet-678	109	38	70	70	NUM
admet-678	109	39	)	)	PUNCT
admet-678	109	40	and	and	CCONJ
admet-678	109	41	weakly	weakly	ADV
admet-678	109	42	active	active	ADJ
admet-678	109	43	or	or	CCONJ
admet-678	109	44	inactive	inactive	ADJ
admet-678	109	45	(	(	PUNCT
admet-678	109	46	ra%	ra%	NOUN
admet-678	109	47	71	71	NUM
admet-678	109	48	-	-	SYM
admet-678	109	49	100	100	NUM
admet-678	109	50	)	)	PUNCT
admet-678	109	51	.	.	PUNCT
admet-678	110	1	the	the	DET
admet-678	110	2	discriminant	discriminant	ADJ
admet-678	110	3	ability	ability	NOUN
admet-678	110	4	was	be	AUX
admet-678	110	5	assessed	assess	VERB
admet-678	110	6	by	by	ADP
admet-678	110	7	the	the	DET
admet-678	110	8	correct	correct	ADJ
admet-678	110	9	classifications	classification	NOUN
admet-678	110	10	percentage	percentage	NOUN
admet-678	110	11	,	,	PUNCT
admet-678	110	12	and	and	CCONJ
admet-678	110	13	the	the	DET
admet-678	110	14	discriminant	discriminant	NOUN
admet-678	110	15	function	function	VERB
admet-678	110	16	quality	quality	NOUN
admet-678	110	17	was	be	AUX
admet-678	110	18	evaluated	evaluate	VERB
admet-678	110	19	using	use	VERB
admet-678	110	20	the	the	DET
admet-678	110	21	wilks	wilks	PROPN
admet-678	110	22	parameter	parameter	NOUN
admet-678	110	23	,	,	PUNCT
admet-678	110	24	λ	λ	PROPN
admet-678	110	25	,	,	PUNCT
admet-678	110	26	which	which	PRON
admet-678	110	27	was	be	AUX
admet-678	110	28	obtained	obtain	VERB
admet-678	110	29	by	by	ADP
admet-678	110	30	a	a	DET
admet-678	110	31	multivariate	multivariate	NOUN
admet-678	110	32	analysis	analysis	NOUN
admet-678	110	33	of	of	ADP
admet-678	110	34	variance	variance	NOUN
admet-678	110	35	that	that	PRON
admet-678	110	36	tests	test	VERB
admet-678	110	37	the	the	DET
admet-678	110	38	equality	equality	NOUN
admet-678	110	39	of	of	ADP
admet-678	110	40	group	group	NOUN
admet-678	110	41	means	mean	VERB
admet-678	110	42	for	for	ADP
admet-678	110	43	the	the	DET
admet-678	110	44	variable	variable	NOUN
admet-678	110	45	in	in	ADP
admet-678	110	46	the	the	DET
admet-678	110	47	discriminant	discriminant	ADJ
admet-678	110	48	model	model	NOUN
admet-678	110	49	.	.	PUNCT
admet-678	111	1	the	the	DET
admet-678	111	2	first	first	ADJ
admet-678	111	3	standardized	standardized	ADJ
admet-678	111	4	discriminating	discriminating	NOUN
admet-678	111	5	function	function	NOUN
admet-678	111	6	was	be	AUX
admet-678	111	7	:	:	PUNCT
admet-678	112	1	df1	df1	PROPN
admet-678	112	2	=	=	SYM
admet-678	112	3	1.842	1.842	NUM
admet-678	112	4	ehomo	ehomo	NOUN
admet-678	112	5	+	+	CCONJ
admet-678	112	6	1.699	1.699	NUM
admet-678	112	7	µ	µ	NOUN
admet-678	112	8	+	+	CCONJ
admet-678	112	9	1.884	1.884	NUM
admet-678	112	10	e3u	e3u	NOUN
admet-678	112	11	+	+	CCONJ
admet-678	112	12	1.063	1.063	NUM
admet-678	112	13	rpcg	rpcg	ADJ
admet-678	112	14	(	(	PUNCT
admet-678	112	15	3	3	NUM
admet-678	112	16	)	)	PUNCT
admet-678	112	17	f	f	NOUN
admet-678	112	18	=	=	SYM
admet-678	112	19	132.14	132.14	NUM
admet-678	112	20	;	;	PUNCT
admet-678	112	21	wilks	wilks	PROPN
admet-678	112	22	’	'	PUNCT
admet-678	112	23	lambda	lambda	NOUN
admet-678	112	24	(	(	PUNCT
admet-678	112	25	λ	λ	NOUN
admet-678	112	26	)	)	PUNCT
admet-678	112	27	=	=	SYM
admet-678	113	1	0.0627	0.0627	NUM
admet-678	113	2	;	;	PUNCT
admet-678	113	3	p(value	p(value	NOUN
admet-678	113	4	)	)	PUNCT
admet-678	113	5	=	=	SYM
admet-678	113	6	0.0000	0.0000	NUM
admet-678	113	7	;	;	PUNCT
admet-678	113	8	n	n	PROPN
admet-678	113	9	=	=	SYM
admet-678	113	10	22	22	NUM
admet-678	113	11	this	this	DET
admet-678	113	12	equation	equation	NOUN
admet-678	113	13	is	be	AUX
admet-678	113	14	highly	highly	ADV
admet-678	113	15	significant	significant	ADJ
admet-678	113	16	as	as	ADP
admet-678	113	17	p	p	X
admet-678	113	18	<	<	X
admet-678	113	19	0.00001	0.00001	NUM
admet-678	113	20	,	,	PUNCT
admet-678	113	21	and	and	CCONJ
admet-678	113	22	amongst	amongst	ADP
admet-678	113	23	the	the	DET
admet-678	113	24	22	22	NUM
admet-678	113	25	observations	observation	NOUN
admet-678	113	26	used	use	VERB
admet-678	113	27	to	to	PART
admet-678	113	28	fit	fit	VERB
admet-678	113	29	the	the	DET
admet-678	113	30	model	model	NOUN
admet-678	113	31	,	,	PUNCT
admet-678	113	32	22	22	NUM
admet-678	113	33	(	(	PUNCT
admet-678	113	34	or	or	CCONJ
admet-678	113	35	100.0	100.0	NUM
admet-678	113	36	%	%	NOUN
admet-678	113	37	)	)	PUNCT
admet-678	113	38	were	be	AUX
admet-678	113	39	correctly	correctly	ADV
admet-678	113	40	classified	classified	ADJ
admet-678	113	41	.	.	PUNCT
admet-678	114	1	in	in	ADP
admet-678	114	2	order	order	NOUN
admet-678	114	3	to	to	PART
admet-678	114	4	check	check	VERB
admet-678	114	5	an	an	DET
admet-678	114	6	overestimation	overestimation	NOUN
admet-678	114	7	of	of	ADP
admet-678	114	8	the	the	DET
admet-678	114	9	obtained	obtain	VERB
admet-678	114	10	model	model	NOUN
admet-678	114	11	,	,	PUNCT
admet-678	114	12	the	the	DET
admet-678	114	13	rate	rate	NOUN
admet-678	114	14	of	of	ADP
admet-678	114	15	correct	correct	ADJ
admet-678	114	16	classification	classification	NOUN
admet-678	114	17	was	be	AUX
admet-678	114	18	evaluated	evaluate	VERB
admet-678	114	19	by	by	ADP
admet-678	114	20	using	use	VERB
admet-678	114	21	crossvalidation	crossvalidation	NOUN
admet-678	114	22	and	and	CCONJ
admet-678	114	23	a	a	DET
admet-678	114	24	95.5	95.5	NUM
admet-678	114	25	%	%	NOUN
admet-678	114	26	was	be	AUX
admet-678	114	27	obtained	obtain	VERB
admet-678	114	28	(	(	PUNCT
admet-678	114	29	21	21	NUM
admet-678	114	30	to	to	ADP
admet-678	114	31	22	22	NUM
admet-678	114	32	)	)	PUNCT
admet-678	114	33	.	.	PUNCT
admet-678	115	1	from	from	ADP
admet-678	115	2	the	the	DET
admet-678	115	3	relative	relative	ADJ
admet-678	115	4	magnitude	magnitude	NOUN
admet-678	115	5	of	of	ADP
admet-678	115	6	the	the	DET
admet-678	115	7	obtained	obtain	VERB
admet-678	115	8	coefficients	coefficient	NOUN
admet-678	115	9	in	in	ADP
admet-678	115	10	equation	equation	NOUN
admet-678	115	11	(	(	PUNCT
admet-678	115	12	3	3	NUM
admet-678	115	13	)	)	PUNCT
admet-678	115	14	,	,	PUNCT
admet-678	115	15	it	it	PRON
admet-678	115	16	can	can	AUX
admet-678	115	17	be	be	AUX
admet-678	115	18	appreciated	appreciate	VERB
admet-678	115	19	the	the	DET
admet-678	115	20	contribution	contribution	NOUN
admet-678	115	21	of	of	ADP
admet-678	115	22	a	a	DET
admet-678	115	23	single	single	ADJ
admet-678	115	24	variable	variable	NOUN
admet-678	115	25	to	to	PART
admet-678	115	26	discriminate	discriminate	VERB
admet-678	115	27	amongst	amongst	ADP
admet-678	115	28	the	the	DET
admet-678	115	29	groups	group	NOUN
admet-678	115	30	.	.	PUNCT
admet-678	116	1	figure	figure	VERB
admet-678	116	2	2	2	NUM
admet-678	116	3	plots	plot	NOUN
admet-678	116	4	each	each	DET
admet-678	116	5	observation	observation	NOUN
admet-678	116	6	in	in	ADP
admet-678	116	7	the	the	DET
admet-678	116	8	space	space	NOUN
admet-678	116	9	of	of	ADP
admet-678	116	10	the	the	DET
admet-678	116	11	two	two	NUM
admet-678	116	12	linear	linear	ADJ
admet-678	116	13	discriminant	discriminant	NOUN
admet-678	116	14	functions	function	NOUN
admet-678	116	15	(	(	PUNCT
admet-678	116	16	df1	df1	PROPN
admet-678	116	17	,	,	PUNCT
admet-678	116	18	df2	df2	PROPN
admet-678	116	19	)	)	PUNCT
admet-678	116	20	.	.	PUNCT
admet-678	117	1	admet	admet	PROPN
admet-678	117	2	&	&	CCONJ
admet-678	117	3	dmpk	dmpk	PROPN
admet-678	117	4	7(3	7(3	NUM
admet-678	117	5	)	)	PUNCT
admet-678	117	6	(	(	PUNCT
admet-678	117	7	2019	2019	NUM
admet-678	117	8	)	)	PUNCT
admet-678	117	9	196	196	NUM
admet-678	117	10	-	-	SYM
admet-678	117	11	209	209	NUM
admet-678	117	12	organosulfur	organosulfur	NOUN
admet-678	117	13	–	–	PUNCT
admet-678	117	14	cyp2a6	cyp2a6	NOUN
admet-678	117	15	qsar	qsar	NOUN
admet-678	117	16	study	study	NOUN
admet-678	117	17	doi	doi	NOUN
admet-678	117	18	:	:	PUNCT
admet-678	117	19	10.5599	10.5599	NUM
admet-678	117	20	/	/	SYM
admet-678	117	21	admet.678	admet.678	NOUN
admet-678	117	22	203	203	NUM
admet-678	117	23	figure	figure	NOUN
admet-678	117	24	2	2	NUM
admet-678	117	25	.	.	NOUN
admet-678	117	26	2	2	NUM
admet-678	117	27	-	-	SYM
admet-678	117	28	d	d	NOUN
admet-678	117	29	plot	plot	NOUN
admet-678	117	30	of	of	ADP
admet-678	117	31	discriminant	discriminant	ADJ
admet-678	117	32	functions	function	NOUN
admet-678	117	33	df1	df1	PROPN
admet-678	117	34	and	and	CCONJ
admet-678	117	35	df2	df2	PROPN
admet-678	117	36	.	.	PUNCT
admet-678	118	1	the	the	DET
admet-678	118	2	fact	fact	NOUN
admet-678	118	3	that	that	SCONJ
admet-678	118	4	similar	similar	ADJ
admet-678	118	5	conclusions	conclusion	NOUN
admet-678	118	6	are	be	AUX
admet-678	118	7	obtained	obtain	VERB
admet-678	118	8	by	by	ADP
admet-678	118	9	using	use	VERB
admet-678	118	10	both	both	DET
admet-678	118	11	kinds	kind	NOUN
admet-678	118	12	of	of	ADP
admet-678	118	13	statistical	statistical	ADJ
admet-678	118	14	methods	method	NOUN
admet-678	118	15	;	;	PUNCT
admet-678	118	16	that	that	PRON
admet-678	118	17	is	is	ADV
admet-678	118	18	,	,	PUNCT
admet-678	118	19	mlr	mlr	PROPN
admet-678	118	20	and	and	CCONJ
admet-678	118	21	lda	lda	PROPN
admet-678	118	22	,	,	PUNCT
admet-678	118	23	provides	provide	VERB
admet-678	118	24	more	more	ADJ
admet-678	118	25	evidence	evidence	NOUN
admet-678	118	26	about	about	ADP
admet-678	118	27	the	the	DET
admet-678	118	28	model	model	NOUN
admet-678	118	29	robustness	robustness	NOUN
admet-678	118	30	here	here	ADV
admet-678	118	31	reported	report	VERB
admet-678	118	32	.	.	PUNCT
admet-678	119	1	the	the	DET
admet-678	119	2	data	datum	NOUN
admet-678	119	3	set	set	VERB
admet-678	119	4	,	,	PUNCT
admet-678	119	5	includes	include	VERB
admet-678	119	6	both	both	DET
admet-678	119	7	monosulfides	monosulfide	NOUN
admet-678	119	8	as	as	ADP
admet-678	119	9	disulfides	disulfide	NOUN
admet-678	119	10	.	.	PUNCT
admet-678	120	1	in	in	ADP
admet-678	120	2	the	the	DET
admet-678	120	3	case	case	NOUN
admet-678	120	4	of	of	ADP
admet-678	120	5	monosulfides	monosulfide	NOUN
admet-678	120	6	,	,	PUNCT
admet-678	120	7	these	these	PRON
admet-678	120	8	can	can	AUX
admet-678	120	9	act	act	VERB
admet-678	120	10	as	as	ADP
admet-678	120	11	strong	strong	ADJ
admet-678	120	12	nucleophiles	nucleophile	NOUN
admet-678	120	13	(	(	PUNCT
admet-678	120	14	nuθ	nuθ	PROPN
admet-678	120	15	)	)	PUNCT
admet-678	120	16	or	or	CCONJ
admet-678	120	17	reducing	reduce	VERB
admet-678	120	18	agents	agent	NOUN
admet-678	120	19	depending	depend	VERB
admet-678	120	20	on	on	ADP
admet-678	120	21	the	the	DET
admet-678	120	22	nature	nature	NOUN
admet-678	120	23	of	of	ADP
admet-678	120	24	the	the	DET
admet-678	120	25	electrophile(e⊕	electrophile(e⊕	NUM
admet-678	120	26	)	)	PUNCT
admet-678	120	27	,	,	PUNCT
admet-678	120	28	the	the	DET
admet-678	120	29	substituent	substituent	NOUN
admet-678	120	30	group	group	NOUN
admet-678	120	31	(	(	PUNCT
admet-678	120	32	r	r	NOUN
admet-678	120	33	-	-	PUNCT
admet-678	120	34	s	s	NOUN
admet-678	120	35	)	)	PUNCT
admet-678	120	36	,	,	PUNCT
admet-678	120	37	and	and	CCONJ
admet-678	120	38	the	the	DET
admet-678	120	39	medium	medium	NOUN
admet-678	120	40	in	in	ADP
admet-678	120	41	which	which	PRON
admet-678	120	42	the	the	DET
admet-678	120	43	reaction	reaction	NOUN
admet-678	120	44	occurs	occur	VERB
admet-678	120	45	.	.	PUNCT
admet-678	121	1	such	such	ADJ
admet-678	121	2	property	property	NOUN
admet-678	121	3	is	be	AUX
admet-678	121	4	related	relate	VERB
admet-678	121	5	to	to	ADP
admet-678	121	6	the	the	DET
admet-678	121	7	ehomo	ehomo	ADJ
admet-678	121	8	energy	energy	NOUN
admet-678	121	9	of	of	ADP
admet-678	121	10	monosulfides	monosulfide	NOUN
admet-678	121	11	,	,	PUNCT
admet-678	121	12	thus	thus	ADV
admet-678	121	13	,	,	PUNCT
admet-678	121	14	a	a	DET
admet-678	121	15	greater	great	ADJ
admet-678	121	16	ehomo	ehomo	NOUN
admet-678	121	17	implies	imply	VERB
admet-678	121	18	a	a	DET
admet-678	121	19	higher	high	ADJ
admet-678	121	20	ionization	ionization	NOUN
admet-678	121	21	potential	potential	NOUN
admet-678	121	22	and	and	CCONJ
admet-678	121	23	a	a	DET
admet-678	121	24	superior	superior	ADJ
admet-678	121	25	ability	ability	NOUN
admet-678	121	26	to	to	PART
admet-678	121	27	donate	donate	VERB
admet-678	121	28	electrons	electron	NOUN
admet-678	121	29	.	.	PUNCT
admet-678	122	1	moreover	moreover	ADV
admet-678	122	2	,	,	PUNCT
admet-678	122	3	disulfides	disulfide	VERB
admet-678	122	4	act	act	VERB
admet-678	122	5	as	as	ADP
admet-678	122	6	electrophilic	electrophilic	ADJ
admet-678	122	7	oxidants	oxidant	NOUN
admet-678	122	8	,	,	PUNCT
admet-678	122	9	i.e.	i.e.	X
admet-678	122	10	tend	tend	VERB
admet-678	122	11	to	to	PART
admet-678	122	12	accept	accept	VERB
admet-678	122	13	electrons	electron	NOUN
admet-678	122	14	,	,	PUNCT
admet-678	122	15	which	which	PRON
admet-678	122	16	is	be	AUX
admet-678	122	17	reflected	reflect	VERB
admet-678	122	18	by	by	ADP
admet-678	122	19	their	their	PRON
admet-678	122	20	low	low	ADJ
admet-678	122	21	lumo	lumo	NOUN
admet-678	122	22	energy	energy	NOUN
admet-678	122	23	orbital	orbital	NOUN
admet-678	122	24	.	.	PUNCT
admet-678	123	1	considering	consider	VERB
admet-678	123	2	the	the	DET
admet-678	123	3	above	above	NOUN
admet-678	123	4	,	,	PUNCT
admet-678	123	5	the	the	DET
admet-678	123	6	set	set	NOUN
admet-678	123	7	of	of	ADP
admet-678	123	8	compounds	compound	NOUN
admet-678	123	9	under	under	ADP
admet-678	123	10	study	study	NOUN
admet-678	123	11	was	be	AUX
admet-678	123	12	divided	divide	VERB
admet-678	123	13	among	among	ADP
admet-678	123	14	monoand	monoand	NOUN
admet-678	123	15	disulfides	disulfide	NOUN
admet-678	123	16	,	,	PUNCT
admet-678	123	17	which	which	PRON
admet-678	123	18	were	be	AUX
admet-678	123	19	analyzed	analyze	VERB
admet-678	123	20	independently	independently	ADV
admet-678	123	21	.	.	PUNCT
admet-678	124	1	the	the	DET
admet-678	124	2	relationship	relationship	NOUN
admet-678	124	3	between	between	ADP
admet-678	124	4	monosulfides	monosulfide	NOUN
admet-678	124	5	and	and	CCONJ
admet-678	124	6	their	their	PRON
admet-678	124	7	corresponding	corresponding	ADJ
admet-678	124	8	ehomo	ehomo	ADJ
admet-678	124	9	energy	energy	NOUN
admet-678	124	10	showed	show	VERB
admet-678	124	11	a	a	DET
admet-678	124	12	parabolic	parabolic	ADJ
admet-678	124	13	correlation	correlation	NOUN
admet-678	124	14	as	as	SCONJ
admet-678	124	15	presented	present	VERB
admet-678	124	16	in	in	ADP
admet-678	124	17	equation	equation	NOUN
admet-678	124	18	(	(	PUNCT
admet-678	124	19	4	4	NUM
admet-678	124	20	)	)	PUNCT
admet-678	124	21	.	.	PUNCT
admet-678	125	1	ra%	ra%	NOUN
admet-678	125	2	=	=	SYM
admet-678	125	3	30195	30195	NUM
admet-678	125	4	(	(	PUNCT
admet-678	125	5	5506	5506	NUM
admet-678	125	6	)	)	PUNCT
admet-678	126	1	+	+	CCONJ
admet-678	126	2	7083	7083	NUM
admet-678	126	3	(	(	PUNCT
admet-678	126	4	1272	1272	NUM
admet-678	126	5	)	)	PUNCT
admet-678	126	6	ehomo	ehomo	NOUN
admet-678	126	7	+	+	CCONJ
admet-678	127	1	415.83	415.83	NUM
admet-678	127	2	(	(	PUNCT
admet-678	127	3	73.42	73.42	NUM
admet-678	127	4	)	)	PUNCT
admet-678	127	5	ehomo	ehomo	ADJ
admet-678	127	6	2	2	NUM
admet-678	127	7	(	(	PUNCT
admet-678	127	8	4	4	NUM
admet-678	127	9	)	)	PUNCT
admet-678	127	10	(	(	PUNCT
admet-678	127	11	0.001	0.001	NUM
admet-678	127	12	)	)	PUNCT
admet-678	127	13	(	(	PUNCT
admet-678	127	14	0.001	0.001	NUM
admet-678	127	15	)	)	PUNCT
admet-678	127	16	(	(	PUNCT
admet-678	127	17	0.000	0.000	X
admet-678	127	18	)	)	PUNCT
admet-678	127	19	r2	r2	NOUN
admet-678	127	20	=	=	PUNCT
admet-678	127	21	0.968	0.968	NUM
admet-678	127	22	;	;	PUNCT
admet-678	127	23	r2(cv	r2(cv	PROPN
admet-678	127	24	)	)	PUNCT
admet-678	127	25	=	=	PUNCT
admet-678	127	26	0.909	0.909	NUM
admet-678	127	27	;	;	PUNCT
admet-678	127	28	s	s	X
admet-678	127	29	=	=	NOUN
admet-678	127	30	4.82	4.82	NUM
admet-678	127	31	;	;	PUNCT
admet-678	127	32	n	n	CCONJ
admet-678	127	33	=	=	SYM
admet-678	127	34	11	11	NUM
admet-678	127	35	;	;	PUNCT
admet-678	127	36	f	f	PROPN
admet-678	127	37	=	=	SYM
admet-678	127	38	122.28	122.28	NUM
admet-678	127	39	;	;	PUNCT
admet-678	127	40	wehomo	wehomo	PROPN
admet-678	127	41	=	=	PROPN
admet-678	127	42	0.535	0.535	NUM
admet-678	127	43	;	;	PUNCT
admet-678	127	44	wehomo	wehomo	PROPN
admet-678	127	45	2	2	NUM
admet-678	127	46	=	=	SYM
admet-678	127	47	0.544	0.544	NUM
admet-678	127	48	the	the	DET
admet-678	127	49	quadratic	quadratic	ADJ
admet-678	127	50	term	term	NOUN
admet-678	127	51	ehomo	ehomo	NOUN
admet-678	127	52	is	be	AUX
admet-678	127	53	statistically	statistically	ADV
admet-678	127	54	significant	significant	ADJ
admet-678	127	55	(	(	PUNCT
admet-678	127	56	p	p	X
admet-678	127	57	=	=	NOUN
admet-678	127	58	0.000	0.000	NUM
admet-678	127	59	)	)	PUNCT
admet-678	127	60	,	,	PUNCT
admet-678	127	61	although	although	SCONJ
admet-678	127	62	this	this	DET
admet-678	127	63	term	term	NOUN
admet-678	127	64	depends	depend	VERB
admet-678	127	65	very	very	ADV
admet-678	127	66	strongly	strongly	ADV
admet-678	127	67	on	on	ADP
admet-678	127	68	compound	compound	NOUN
admet-678	127	69	16	16	NUM
admet-678	127	70	.	.	PUNCT
admet-678	128	1	thus	thus	ADV
admet-678	128	2	,	,	PUNCT
admet-678	128	3	only	only	ADV
admet-678	128	4	the	the	DET
admet-678	128	5	analysis	analysis	NOUN
admet-678	128	6	of	of	ADP
admet-678	128	7	a	a	DET
admet-678	128	8	data	data	NOUN
admet-678	128	9	serie	serie	NOUN
admet-678	128	10	including	include	VERB
admet-678	128	11	a	a	DET
admet-678	128	12	larger	large	ADJ
admet-678	128	13	amount	amount	NOUN
admet-678	128	14	of	of	ADP
admet-678	128	15	monosulfides	monosulfide	NOUN
admet-678	128	16	would	would	AUX
admet-678	128	17	help	help	VERB
admet-678	128	18	to	to	PART
admet-678	128	19	validate	validate	VERB
admet-678	128	20	the	the	DET
admet-678	128	21	parabolic	parabolic	ADJ
admet-678	128	22	relationship	relationship	NOUN
admet-678	128	23	obtained	obtain	VERB
admet-678	128	24	.	.	PUNCT
admet-678	129	1	another	another	DET
admet-678	129	2	aspect	aspect	NOUN
admet-678	129	3	to	to	PART
admet-678	129	4	highlight	highlight	VERB
admet-678	129	5	,	,	PUNCT
admet-678	129	6	is	be	AUX
admet-678	129	7	that	that	DET
admet-678	129	8	compound	compound	NOUN
admet-678	129	9	21	21	NUM
admet-678	129	10	(	(	PUNCT
admet-678	129	11	4,4	4,4	NUM
admet-678	129	12	'	'	PART
admet-678	129	13	dipyridyl	dipyridyl	NOUN
admet-678	129	14	sulfide	sulfide	NOUN
admet-678	129	15	)	)	PUNCT
admet-678	129	16	was	be	AUX
admet-678	129	17	excluded	exclude	VERB
admet-678	129	18	from	from	ADP
admet-678	129	19	the	the	DET
admet-678	129	20	analysis	analysis	NOUN
admet-678	129	21	because	because	SCONJ
admet-678	129	22	it	it	PRON
admet-678	129	23	presented	present	VERB
admet-678	129	24	an	an	DET
admet-678	129	25	outlier	outlier	ADJ
admet-678	129	26	behavior	behavior	NOUN
admet-678	129	27	,	,	PUNCT
admet-678	129	28	given	give	VERB
admet-678	129	29	its	its	PRON
admet-678	129	30	polarity	polarity	NOUN
admet-678	129	31	and	and	CCONJ
admet-678	129	32	structural	structural	ADJ
admet-678	129	33	nature	nature	NOUN
admet-678	129	34	,	,	PUNCT
admet-678	129	35	that	that	PRON
admet-678	129	36	differs	differ	VERB
admet-678	129	37	from	from	ADP
admet-678	129	38	the	the	DET
admet-678	129	39	other	other	ADJ
admet-678	129	40	monosulfides	monosulfide	NOUN
admet-678	129	41	(	(	PUNCT
admet-678	129	42	this	this	PRON
admet-678	129	43	may	may	AUX
admet-678	129	44	be	be	AUX
admet-678	129	45	due	due	ADJ
admet-678	129	46	to	to	ADP
admet-678	129	47	the	the	DET
admet-678	129	48	fact	fact	NOUN
admet-678	129	49	that	that	SCONJ
admet-678	129	50	compound	compound	NOUN
admet-678	129	51	21	21	NUM
admet-678	129	52	is	be	AUX
admet-678	129	53	the	the	DET
admet-678	129	54	only	only	ADJ
admet-678	129	55	pyridyl	pyridyl	ADJ
admet-678	129	56	monosulfide	monosulfide	NOUN
admet-678	129	57	compound	compound	PROPN
admet-678	129	58	)	)	PUNCT
admet-678	129	59	.	.	PUNCT
admet-678	130	1	in	in	ADP
admet-678	130	2	the	the	DET
admet-678	130	3	case	case	NOUN
admet-678	130	4	of	of	ADP
admet-678	130	5	the	the	DET
admet-678	130	6	10	10	NUM
admet-678	130	7	disulfides	disulfide	NOUN
admet-678	130	8	under	under	ADP
admet-678	130	9	study	study	NOUN
admet-678	130	10	,	,	PUNCT
admet-678	130	11	the	the	DET
admet-678	130	12	best	well	ADV
admet-678	130	13	-	-	PUNCT
admet-678	130	14	obtained	obtain	VERB
admet-678	130	15	regression	regression	NOUN
admet-678	130	16	equation	equation	NOUN
admet-678	130	17	was	be	AUX
admet-678	130	18	:	:	PUNCT
admet-678	130	19	ra%	ra%	NOUN
admet-678	130	20	=	=	SYM
admet-678	130	21	-171.4	-171.4	PROPN
admet-678	130	22	(	(	PUNCT
admet-678	130	23	35.97	35.97	NUM
admet-678	130	24	)	)	PUNCT
admet-678	130	25	+	+	CCONJ
admet-678	130	26	16.871	16.871	NUM
admet-678	130	27	(	(	PUNCT
admet-678	130	28	2.114	2.114	NUM
admet-678	130	29	)	)	PUNCT
admet-678	130	30	µ	µ	X
admet-678	130	31	+	+	NUM
admet-678	130	32	294	294	NUM
admet-678	130	33	(	(	PUNCT
admet-678	130	34	46.64	46.64	NUM
admet-678	130	35	)	)	PUNCT
admet-678	130	36	e3u	e3u	NOUN
admet-678	130	37	+	+	CCONJ
admet-678	130	38	907.1	907.1	NUM
admet-678	130	39	(	(	PUNCT
admet-678	130	40	243.2	243.2	NUM
admet-678	130	41	)	)	PUNCT
admet-678	130	42	qmean	qmean	NOUN
admet-678	130	43	(	(	PUNCT
admet-678	130	44	5	5	NUM
admet-678	130	45	)	)	PUNCT
admet-678	130	46	(	(	PUNCT
admet-678	130	47	0.003	0.003	NUM
admet-678	130	48	)	)	PUNCT
admet-678	130	49	(	(	PUNCT
admet-678	130	50	0.000	0.000	NUM
admet-678	130	51	)	)	PUNCT
admet-678	130	52	(	(	PUNCT
admet-678	130	53	0.001	0.001	NUM
admet-678	130	54	)	)	PUNCT
admet-678	130	55	(	(	PUNCT
admet-678	130	56	0.010	0.010	NUM
admet-678	130	57	)	)	PUNCT
admet-678	131	1	r2	r2	NOUN
admet-678	131	2	=	=	PUNCT
admet-678	131	3	0.938	0.938	NUM
admet-678	131	4	;	;	PUNCT
admet-678	131	5	r2(cv	r2(cv	PROPN
admet-678	131	6	)	)	PUNCT
admet-678	131	7	=	=	PUNCT
admet-678	131	8	0.863	0.863	NUM
admet-678	131	9	;	;	PUNCT
admet-678	131	10	s	s	X
admet-678	131	11	=	=	SYM
admet-678	131	12	8.653	8.653	NUM
admet-678	131	13	;	;	PUNCT
admet-678	131	14	n	n	NOUN
admet-678	131	15	=	=	SYM
admet-678	131	16	10	10	NUM
admet-678	131	17	;	;	PUNCT
admet-678	131	18	f	f	X
admet-678	131	19	=	=	SYM
admet-678	131	20	30.34	30.34	NUM
admet-678	131	21	;	;	PUNCT
admet-678	131	22	wµ	wµ	ADP
admet-678	131	23	=	=	NOUN
admet-678	131	24	0.819	0.819	NUM
admet-678	131	25	;	;	PUNCT
admet-678	131	26	we3u	we3u	NOUN
admet-678	131	27	=	=	SYM
admet-678	131	28	0.798	0.798	NUM
admet-678	131	29	;	;	PUNCT
admet-678	131	30	wqmean	wqmean	ADJ
admet-678	131	31	=	=	NOUN
admet-678	131	32	0.470	0.470	NUM
admet-678	131	33	discriminant	discriminant	NOUN
admet-678	131	34	function	function	VERB
admet-678	131	35	1	1	NUM
admet-678	131	36	d	d	NOUN
admet-678	131	37	is	be	AUX
admet-678	131	38	c	c	PROPN
admet-678	131	39	ri	ri	NOUN
admet-678	131	40	m	m	NOUN
admet-678	131	41	in	in	ADP
admet-678	131	42	a	a	DET
admet-678	131	43	n	n	NOUN
admet-678	131	44	t	t	NOUN
admet-678	131	45	fu	fu	NOUN
admet-678	132	1	n	n	AUX
admet-678	132	2	c	c	NOUN
admet-678	132	3	ti	ti	NOUN
admet-678	132	4	o	o	NOUN
admet-678	132	5	n	n	CCONJ
admet-678	132	6	2	2	NUM
admet-678	132	7	5.02.50.0	5.02.50.0	NUM
admet-678	132	8	-	-	PUNCT
admet-678	132	9	2.5	2.5	NUM
admet-678	132	10	-	-	PUNCT
admet-678	132	11	5.0	5.0	NUM
admet-678	132	12	-	-	PUNCT
admet-678	132	13	7.5	7.5	NUM
admet-678	132	14	-	-	SYM
admet-678	132	15	10.0	10.0	NUM
admet-678	132	16	3	3	NUM
admet-678	132	17	2	2	NUM
admet-678	132	18	1	1	NUM
admet-678	132	19	0	0	NUM
admet-678	132	20	-1	-1	NUM
admet-678	132	21	-2	-2	INTJ
admet-678	132	22	class	class	NOUN
admet-678	132	23	1	1	NUM
admet-678	132	24	2	2	NUM
admet-678	132	25	3	3	NUM
admet-678	132	26	class	class	NOUN
admet-678	132	27	1	1	NUM
admet-678	132	28	:	:	PUNCT
admet-678	132	29	range	range	VERB
admet-678	132	30	70	70	NUM
admet-678	132	31	-	-	SYM
admet-678	132	32	100	100	NUM
admet-678	132	33	ra	ra	NOUN
admet-678	132	34	%	%	NOUN
admet-678	132	35	class	class	NOUN
admet-678	132	36	2	2	NUM
admet-678	132	37	:	:	PUNCT
admet-678	132	38	range	range	VERB
admet-678	132	39	10	10	NUM
admet-678	132	40	-	-	SYM
admet-678	132	41	70	70	NUM
admet-678	133	1	ra	ra	NOUN
admet-678	133	2	%	%	NOUN
admet-678	133	3	class	class	NOUN
admet-678	133	4	3	3	NUM
admet-678	133	5	:	:	PUNCT
admet-678	133	6	range	range	VERB
admet-678	133	7	1	1	NUM
admet-678	133	8	-	-	SYM
admet-678	133	9	10	10	NUM
admet-678	133	10	ra	ra	NOUN
admet-678	134	1	%	%	NOUN
admet-678	135	1	d.a	d.a	PROPN
admet-678	135	2	.	.	PROPN
admet-678	135	3	ramirez	ramirez	PROPN
admet-678	135	4	et	et	PROPN
admet-678	135	5	al	al	PROPN
admet-678	135	6	.	.	PROPN
admet-678	135	7	admet	admet	PROPN
admet-678	135	8	&	&	CCONJ
admet-678	135	9	dmpk	dmpk	PROPN
admet-678	135	10	7(3	7(3	NUM
admet-678	135	11	)	)	PUNCT
admet-678	135	12	(	(	PUNCT
admet-678	135	13	2019	2019	NUM
admet-678	135	14	)	)	PUNCT
admet-678	135	15	196	196	NUM
admet-678	135	16	-	-	SYM
admet-678	135	17	209	209	NUM
admet-678	135	18	204	204	NUM
admet-678	135	19	in	in	ADP
admet-678	135	20	figure	figure	NOUN
admet-678	135	21	3	3	NUM
admet-678	135	22	,	,	PUNCT
admet-678	135	23	it	it	PRON
admet-678	135	24	is	be	AUX
admet-678	135	25	possible	possible	ADJ
admet-678	135	26	to	to	PART
admet-678	135	27	observe	observe	VERB
admet-678	135	28	an	an	DET
admet-678	135	29	agreement	agreement	NOUN
admet-678	135	30	between	between	ADP
admet-678	135	31	the	the	DET
admet-678	135	32	experimental	experimental	ADJ
admet-678	135	33	and	and	CCONJ
admet-678	135	34	calculated	calculated	ADJ
admet-678	135	35	values	value	NOUN
admet-678	135	36	of	of	ADP
admet-678	135	37	ra%	ra%	NOUN
admet-678	135	38	,	,	PUNCT
admet-678	135	39	as	as	ADV
admet-678	135	40	well	well	ADV
admet-678	135	41	as	as	ADP
admet-678	135	42	the	the	DET
admet-678	135	43	normal	normal	ADJ
admet-678	135	44	distribution	distribution	NOUN
admet-678	135	45	of	of	ADP
admet-678	135	46	residual	residual	ADJ
admet-678	135	47	values	value	NOUN
admet-678	135	48	.	.	PUNCT
admet-678	136	1	the	the	DET
admet-678	136	2	values	value	NOUN
admet-678	136	3	of	of	ADP
admet-678	136	4	the	the	DET
admet-678	136	5	correlation	correlation	NOUN
admet-678	136	6	coefficient	coefficient	NOUN
admet-678	136	7	(	(	PUNCT
admet-678	136	8	r	r	NOUN
admet-678	136	9	)	)	PUNCT
admet-678	136	10	between	between	ADP
admet-678	136	11	pairs	pair	NOUN
admet-678	136	12	of	of	ADP
admet-678	136	13	variables	variable	NOUN
admet-678	136	14	used	use	VERB
admet-678	136	15	in	in	ADP
admet-678	136	16	this	this	DET
admet-678	136	17	equation	equation	NOUN
admet-678	136	18	showed	show	VERB
admet-678	136	19	an	an	DET
admet-678	136	20	acceptable	acceptable	ADJ
admet-678	136	21	intercorrelation	intercorrelation	NOUN
admet-678	136	22	:	:	PUNCT
admet-678	136	23	µ/e3u	µ/e3u	NOUN
admet-678	136	24	-0.099	-0.099	PUNCT
admet-678	136	25	,	,	PUNCT
admet-678	136	26	µ/qmean	µ/qmean	ADJ
admet-678	136	27	-0.028	-0.028	ADJ
admet-678	136	28	,	,	PUNCT
admet-678	136	29	and	and	CCONJ
admet-678	136	30	e3u	e3u	PROPN
admet-678	136	31	/	/	SYM
admet-678	136	32	qmean	qmean	ADJ
admet-678	136	33	-0.586	-0.586	PROPN
admet-678	136	34	.	.	PUNCT
admet-678	137	1	figure	figure	NOUN
admet-678	137	2	3	3	NUM
admet-678	137	3	.	.	X
admet-678	137	4	relationship	relationship	NOUN
admet-678	137	5	between	between	ADP
admet-678	137	6	observed	observed	ADJ
admet-678	137	7	and	and	CCONJ
admet-678	137	8	calculated	calculate	VERB
admet-678	137	9	values	value	NOUN
admet-678	137	10	for	for	ADP
admet-678	137	11	equation	equation	NOUN
admet-678	137	12	(	(	PUNCT
admet-678	137	13	4	4	NUM
admet-678	137	14	)	)	PUNCT
admet-678	137	15	.	.	PUNCT
admet-678	138	1	partial	partial	ADJ
admet-678	138	2	least	least	ADJ
admet-678	138	3	square-1	square-1	NUM
admet-678	138	4	regression	regression	VERB
admet-678	138	5	analysis	analysis	NOUN
admet-678	138	6	a	a	DET
admet-678	138	7	preliminary	preliminary	ADJ
admet-678	138	8	analysis	analysis	NOUN
admet-678	138	9	of	of	ADP
admet-678	138	10	different	different	ADJ
admet-678	138	11	pls	pls	NOUN
admet-678	138	12	models	model	NOUN
admet-678	138	13	performed	perform	VERB
admet-678	138	14	on	on	ADP
admet-678	138	15	the	the	DET
admet-678	138	16	whole	whole	ADJ
admet-678	138	17	series	series	NOUN
admet-678	138	18	of	of	ADP
admet-678	138	19	compounds	compound	NOUN
admet-678	138	20	showed	show	VERB
admet-678	138	21	that	that	SCONJ
admet-678	138	22	the	the	DET
admet-678	138	23	most	most	ADV
admet-678	138	24	important	important	ADJ
admet-678	138	25	variables	variable	NOUN
admet-678	138	26	were	be	AUX
admet-678	138	27	those	those	PRON
admet-678	138	28	that	that	PRON
admet-678	138	29	had	have	AUX
admet-678	138	30	been	be	AUX
admet-678	138	31	useful	useful	ADJ
admet-678	138	32	in	in	ADP
admet-678	138	33	the	the	DET
admet-678	138	34	regression	regression	NOUN
admet-678	138	35	analysis	analysis	NOUN
admet-678	138	36	.	.	PUNCT
admet-678	139	1	finally	finally	ADV
admet-678	139	2	,	,	PUNCT
admet-678	139	3	the	the	DET
admet-678	139	4	analysis	analysis	NOUN
admet-678	139	5	of	of	ADP
admet-678	139	6	molecular	molecular	ADJ
admet-678	139	7	descriptors	descriptor	NOUN
admet-678	139	8	was	be	AUX
admet-678	139	9	performed	perform	VERB
admet-678	139	10	using	use	VERB
admet-678	139	11	pls	pls	ADJ
admet-678	139	12	-	-	PUNCT
admet-678	139	13	pseudoregression	pseudoregression	NOUN
admet-678	139	14	coefficients	coefficient	NOUN
admet-678	139	15	,	,	PUNCT
admet-678	139	16	and	and	CCONJ
admet-678	139	17	the	the	DET
admet-678	139	18	statistical	statistical	ADJ
admet-678	139	19	significance	significance	NOUN
admet-678	139	20	of	of	ADP
admet-678	139	21	all	all	DET
admet-678	139	22	qsar	qsar	NOUN
admet-678	139	23	-	-	PUNCT
admet-678	139	24	pls	pls	NOUN
admet-678	139	25	derivatives	derivative	NOUN
admet-678	139	26	models	model	NOUN
admet-678	139	27	was	be	AUX
admet-678	139	28	evaluated	evaluate	VERB
admet-678	139	29	by	by	ADP
admet-678	139	30	means	mean	NOUN
admet-678	139	31	of	of	ADP
admet-678	139	32	the	the	DET
admet-678	139	33	following	follow	VERB
admet-678	139	34	statistical	statistical	ADJ
admet-678	139	35	parameters	parameter	NOUN
admet-678	139	36	:	:	PUNCT
admet-678	139	37	variance	variance	NOUN
admet-678	139	38	of	of	ADP
admet-678	139	39	the	the	DET
admet-678	139	40	matrices	matrix	NOUN
admet-678	139	41	x	x	PUNCT
admet-678	139	42	and	and	CCONJ
admet-678	139	43	y	y	PROPN
admet-678	139	44	(	(	PUNCT
admet-678	139	45	r2x	r2x	PROPN
admet-678	139	46	and	and	CCONJ
admet-678	139	47	r2y	r2y	NOUN
admet-678	139	48	)	)	PUNCT
admet-678	139	49	,	,	PUNCT
admet-678	139	50	the	the	DET
admet-678	139	51	correlation	correlation	NOUN
admet-678	139	52	coefficient	coefficient	NOUN
admet-678	139	53	(	(	PUNCT
admet-678	139	54	r	r	NOUN
admet-678	139	55	)	)	PUNCT
admet-678	139	56	,	,	PUNCT
admet-678	139	57	standard	standard	ADJ
admet-678	139	58	deviation	deviation	NOUN
admet-678	139	59	(	(	PUNCT
admet-678	139	60	rmss	rmss	NOUN
admet-678	139	61	)	)	PUNCT
admet-678	139	62	and	and	CCONJ
admet-678	139	63	the	the	DET
admet-678	139	64	statistical	statistical	ADJ
admet-678	139	65	f.	f.	NOUN
admet-678	139	66	the	the	DET
admet-678	139	67	pls	pls	PROPN
admet-678	139	68	model	model	NOUN
admet-678	139	69	was	be	AUX
admet-678	139	70	built	build	VERB
admet-678	139	71	using	use	VERB
admet-678	139	72	21	21	NUM
admet-678	139	73	of	of	ADP
admet-678	139	74	the	the	DET
admet-678	139	75	total	total	ADJ
admet-678	139	76	set	set	NOUN
admet-678	139	77	of	of	ADP
admet-678	139	78	oscs	osc	NOUN
admet-678	139	79	;	;	PUNCT
admet-678	139	80	compound	compound	NOUN
admet-678	139	81	15	15	NUM
admet-678	139	82	(	(	PUNCT
admet-678	139	83	allyl	allyl	ADJ
admet-678	139	84	phenyl	phenyl	NOUN
admet-678	139	85	sulfide	sulfide	NOUN
admet-678	139	86	)	)	PUNCT
admet-678	139	87	was	be	AUX
admet-678	139	88	not	not	PART
admet-678	139	89	included	include	VERB
admet-678	139	90	in	in	ADP
admet-678	139	91	the	the	DET
admet-678	139	92	model	model	NOUN
admet-678	139	93	because	because	SCONJ
admet-678	139	94	of	of	ADP
admet-678	139	95	its	its	PRON
admet-678	139	96	outlier	outlier	ADJ
admet-678	139	97	behavior	behavior	NOUN
admet-678	139	98	,	,	PUNCT
admet-678	139	99	as	as	SCONJ
admet-678	139	100	observed	observe	VERB
admet-678	139	101	in	in	ADP
admet-678	139	102	mlr	mlr	NOUN
admet-678	139	103	-	-	PUNCT
admet-678	139	104	qsar	qsar	NOUN
admet-678	139	105	models	model	NOUN
admet-678	139	106	.	.	PUNCT
admet-678	140	1	the	the	DET
admet-678	140	2	pls-1	pls-1	NUM
admet-678	140	3	analysis	analysis	NOUN
admet-678	140	4	resulted	result	VERB
admet-678	140	5	in	in	ADP
admet-678	140	6	two	two	NUM
admet-678	140	7	statistically	statistically	ADV
admet-678	140	8	significant	significant	ADJ
admet-678	140	9	components	component	NOUN
admet-678	140	10	(	(	PUNCT
admet-678	140	11	cpls	cpls	PROPN
admet-678	140	12	)	)	PUNCT
admet-678	140	13	,	,	PUNCT
admet-678	140	14	which	which	PRON
admet-678	140	15	statistical	statistical	ADJ
admet-678	140	16	parameters	parameter	NOUN
admet-678	140	17	are	be	AUX
admet-678	140	18	detailed	detail	VERB
admet-678	140	19	in	in	ADP
admet-678	140	20	table	table	NOUN
admet-678	140	21	3	3	NUM
admet-678	140	22	.	.	PUNCT
admet-678	140	23	table	table	NOUN
admet-678	140	24	3	3	NUM
admet-678	140	25	:	:	PUNCT
admet-678	140	26	statistical	statistical	ADJ
admet-678	140	27	parameters	parameter	NOUN
admet-678	140	28	and	and	CCONJ
admet-678	140	29	pls	pls	INTJ
admet-678	140	30	model	model	PROPN
admet-678	140	31	comp	comp	PROPN
admet-678	140	32	.	.	PUNCT
admet-678	141	1	r2x(cum	r2x(cum	NOUN
admet-678	141	2	)	)	PUNCT
admet-678	141	3	r2y(cum	r2y(cum	NOUN
admet-678	141	4	)	)	PUNCT
admet-678	142	1	q	q	NOUN
admet-678	142	2	2	2	NUM
admet-678	142	3	(	(	PUNCT
admet-678	142	4	cum	cum	NOUN
admet-678	142	5	)	)	PUNCT
admet-678	142	6	rmss	rmss	NOUN
admet-678	142	7	f	f	PROPN
admet-678	142	8	statistical	statistical	ADJ
admet-678	142	9	cpls-1	cpls-1	PROPN
admet-678	142	10	0.400	0.400	NUM
admet-678	142	11	0.587	0.587	NUM
admet-678	142	12	0.418	0.418	NUM
admet-678	142	13	9.1347	9.1347	NUM
admet-678	142	14	122.380	122.380	NUM
admet-678	142	15	cpls-2	cpls-2	NUM
admet-678	142	16	0.566	0.566	NUM
admet-678	142	17	0.914	0.914	NUM
admet-678	142	18	0.817	0.817	NUM
admet-678	142	19	(	(	PUNCT
admet-678	142	20	r=0.965	r=0.965	NOUN
admet-678	142	21	)	)	PUNCT
admet-678	142	22	(	(	PUNCT
admet-678	142	23	q=0.904	q=0.904	ADV
admet-678	142	24	)	)	PUNCT
admet-678	142	25	admet	admet	PROPN
admet-678	142	26	&	&	CCONJ
admet-678	142	27	dmpk	dmpk	PROPN
admet-678	142	28	7(3	7(3	NUM
admet-678	142	29	)	)	PUNCT
admet-678	142	30	(	(	PUNCT
admet-678	142	31	2019	2019	NUM
admet-678	142	32	)	)	PUNCT
admet-678	142	33	196	196	NUM
admet-678	142	34	-	-	SYM
admet-678	142	35	209	209	NUM
admet-678	142	36	organosulfur	organosulfur	NOUN
admet-678	142	37	–	–	PUNCT
admet-678	142	38	cyp2a6	cyp2a6	NOUN
admet-678	142	39	qsar	qsar	NOUN
admet-678	142	40	study	study	NOUN
admet-678	142	41	doi	doi	NOUN
admet-678	142	42	:	:	PUNCT
admet-678	142	43	10.5599	10.5599	NUM
admet-678	142	44	/	/	SYM
admet-678	142	45	admet.678	admet.678	NOUN
admet-678	142	46	205	205	NUM
admet-678	142	47	figure	figure	NOUN
admet-678	142	48	4	4	NUM
admet-678	142	49	.	.	X
admet-678	142	50	relationship	relationship	NOUN
admet-678	142	51	between	between	ADP
admet-678	142	52	observed	observed	ADJ
admet-678	142	53	and	and	CCONJ
admet-678	142	54	calculated	calculate	VERB
admet-678	142	55	values	value	NOUN
admet-678	142	56	by	by	ADP
admet-678	142	57	the	the	DET
admet-678	142	58	pls-1	pls-1	VERB
admet-678	142	59	model	model	NOUN
admet-678	142	60	derived	derive	VERB
admet-678	142	61	.	.	PUNCT
admet-678	143	1	figure	figure	NOUN
admet-678	143	2	4	4	NUM
admet-678	143	3	,	,	PUNCT
admet-678	143	4	shows	show	VERB
admet-678	143	5	the	the	DET
admet-678	143	6	relationship	relationship	NOUN
admet-678	143	7	between	between	ADP
admet-678	143	8	ra%	ra%	NOUN
admet-678	143	9	experimental	experimental	ADJ
admet-678	143	10	values	value	NOUN
admet-678	143	11	and	and	CCONJ
admet-678	143	12	the	the	DET
admet-678	143	13	corresponding	corresponding	ADJ
admet-678	143	14	calculated	calculate	VERB
admet-678	143	15	values	value	NOUN
admet-678	143	16	derived	derive	VERB
admet-678	143	17	from	from	ADP
admet-678	143	18	the	the	DET
admet-678	143	19	pls-1	pls-1	NUM
admet-678	143	20	models	model	NOUN
admet-678	143	21	.	.	PUNCT
admet-678	144	1	as	as	SCONJ
admet-678	144	2	can	can	AUX
admet-678	144	3	be	be	AUX
admet-678	144	4	observed	observe	VERB
admet-678	144	5	in	in	ADP
admet-678	144	6	figure	figure	NOUN
admet-678	144	7	5	5	NUM
admet-678	144	8	,	,	PUNCT
admet-678	144	9	the	the	DET
admet-678	144	10	normal	normal	ADJ
admet-678	144	11	probability	probability	NOUN
admet-678	144	12	plot	plot	NOUN
admet-678	144	13	of	of	ADP
admet-678	144	14	the	the	DET
admet-678	144	15	residuals	residual	NOUN
admet-678	144	16	is	be	AUX
admet-678	144	17	approximately	approximately	ADV
admet-678	144	18	linear	linear	ADJ
admet-678	144	19	,	,	PUNCT
admet-678	144	20	which	which	PRON
admet-678	144	21	indicates	indicate	VERB
admet-678	144	22	that	that	SCONJ
admet-678	144	23	the	the	DET
admet-678	144	24	error	error	NOUN
admet-678	144	25	terms	term	NOUN
admet-678	144	26	are	be	AUX
admet-678	144	27	normally	normally	ADV
admet-678	144	28	distributed	distribute	VERB
admet-678	144	29	.	.	PUNCT
admet-678	145	1	moreover	moreover	ADV
admet-678	145	2	,	,	PUNCT
admet-678	145	3	the	the	DET
admet-678	145	4	corresponding	corresponding	ADJ
admet-678	145	5	pseudoregression	pseudoregression	NOUN
admet-678	145	6	coefficients	coefficient	NOUN
admet-678	145	7	are	be	AUX
admet-678	145	8	shown	show	VERB
admet-678	145	9	in	in	ADP
admet-678	145	10	figure	figure	NOUN
admet-678	145	11	6	6	NUM
admet-678	145	12	.	.	PUNCT
admet-678	145	13	from	from	ADP
admet-678	145	14	these	these	DET
admet-678	145	15	values	value	NOUN
admet-678	145	16	,	,	PUNCT
admet-678	145	17	it	it	PRON
admet-678	145	18	can	can	AUX
admet-678	145	19	be	be	AUX
admet-678	145	20	observed	observe	VERB
admet-678	145	21	how	how	SCONJ
admet-678	145	22	much	much	ADJ
admet-678	145	23	a	a	DET
admet-678	145	24	single	single	ADJ
admet-678	145	25	variable	variable	NOUN
admet-678	145	26	contributes	contribute	VERB
admet-678	145	27	to	to	ADP
admet-678	145	28	ra%	ra%	NOUN
admet-678	145	29	modelling	modelling	NOUN
admet-678	145	30	.	.	PUNCT
admet-678	146	1	figure	figure	NOUN
admet-678	146	2	5	5	NUM
admet-678	146	3	.	.	NUM
admet-678	147	1	n	n	CCONJ
admet-678	147	2	-	-	PUNCT
admet-678	147	3	probability	probability	NOUN
admet-678	147	4	plot	plot	NOUN
admet-678	147	5	of	of	ADP
admet-678	147	6	residuals	residual	NOUN
admet-678	147	7	from	from	ADP
admet-678	147	8	the	the	DET
admet-678	147	9	pls-1	pls-1	NUM
admet-678	147	10	model	model	NOUN
admet-678	147	11	.	.	PUNCT
admet-678	148	1	figure	figure	NOUN
admet-678	148	2	6	6	NUM
admet-678	148	3	.	.	PUNCT
admet-678	148	4	bar	bar	NOUN
admet-678	148	5	graph	graph	NOUN
admet-678	148	6	of	of	ADP
admet-678	148	7	the	the	DET
admet-678	148	8	standardized	standardized	ADJ
admet-678	148	9	coefficients	coefficient	NOUN
admet-678	148	10	of	of	ADP
admet-678	148	11	the	the	DET
admet-678	148	12	pls-1	pls-1	ADV
admet-678	148	13	model	model	NOUN
admet-678	148	14	.	.	PUNCT
admet-678	149	1	d.a	d.a	PROPN
admet-678	149	2	.	.	PROPN
admet-678	149	3	ramirez	ramirez	PROPN
admet-678	149	4	et	et	PROPN
admet-678	149	5	al	al	PROPN
admet-678	149	6	.	.	PROPN
admet-678	149	7	admet	admet	PROPN
admet-678	149	8	&	&	CCONJ
admet-678	149	9	dmpk	dmpk	PROPN
admet-678	149	10	7(3	7(3	NUM
admet-678	149	11	)	)	PUNCT
admet-678	149	12	(	(	PUNCT
admet-678	149	13	2019	2019	NUM
admet-678	149	14	)	)	PUNCT
admet-678	149	15	196	196	NUM
admet-678	149	16	-	-	SYM
admet-678	149	17	209	209	NUM
admet-678	149	18	206	206	NUM
admet-678	149	19	validation	validation	NOUN
admet-678	149	20	of	of	ADP
admet-678	149	21	pls-1	pls-1	PUNCT
admet-678	149	22	model	model	VERB
admet-678	149	23	the	the	DET
admet-678	149	24	actual	actual	ADJ
admet-678	149	25	predictive	predictive	ADJ
admet-678	149	26	ability	ability	NOUN
admet-678	149	27	of	of	ADP
admet-678	149	28	a	a	DET
admet-678	149	29	qsar	qsar	NOUN
admet-678	149	30	model	model	NOUN
admet-678	149	31	can	can	AUX
admet-678	149	32	be	be	AUX
admet-678	149	33	judged	judge	VERB
admet-678	149	34	using	use	VERB
admet-678	149	35	compounds	compound	NOUN
admet-678	149	36	not	not	PART
admet-678	149	37	included	include	VERB
admet-678	149	38	originally	originally	ADV
admet-678	149	39	in	in	ADP
admet-678	149	40	the	the	DET
admet-678	149	41	calibration	calibration	NOUN
admet-678	149	42	series	series	NOUN
admet-678	149	43	,	,	PUNCT
admet-678	149	44	or	or	CCONJ
admet-678	149	45	alternatively	alternatively	ADV
admet-678	149	46	,	,	PUNCT
admet-678	149	47	by	by	ADP
admet-678	149	48	using	use	VERB
admet-678	149	49	a	a	DET
admet-678	149	50	permutation	permutation	NOUN
admet-678	149	51	method	method	NOUN
admet-678	149	52	[	[	X
admet-678	149	53	4	4	NUM
admet-678	149	54	]	]	PUNCT
admet-678	149	55	.	.	PUNCT
admet-678	150	1	thus	thus	ADV
admet-678	150	2	,	,	PUNCT
admet-678	150	3	to	to	PART
admet-678	150	4	show	show	VERB
admet-678	150	5	that	that	SCONJ
admet-678	150	6	the	the	DET
admet-678	150	7	developed	developed	ADJ
admet-678	150	8	pls-1	pls-1	PART
admet-678	150	9	model	model	NOUN
admet-678	150	10	was	be	AUX
admet-678	150	11	not	not	PART
admet-678	150	12	a	a	DET
admet-678	150	13	result	result	NOUN
admet-678	150	14	of	of	ADP
admet-678	150	15	chance	chance	NOUN
admet-678	150	16	,	,	PUNCT
admet-678	150	17	both	both	DET
admet-678	150	18	validation	validation	NOUN
admet-678	150	19	methodologies	methodology	NOUN
admet-678	150	20	were	be	AUX
admet-678	150	21	used	use	VERB
admet-678	150	22	.	.	PUNCT
admet-678	151	1	ra	ra	NOUN
admet-678	151	2	values	value	NOUN
admet-678	152	1	[	[	X
admet-678	152	2	%	%	X
admet-678	152	3	]	]	X
admet-678	152	4	,	,	PUNCT
admet-678	152	5	predicted	predict	VERB
admet-678	152	6	for	for	ADP
admet-678	152	7	4	4	NUM
admet-678	152	8	unused	unused	ADJ
admet-678	152	9	compounds	compound	NOUN
admet-678	152	10	are	be	AUX
admet-678	152	11	shown	show	VERB
admet-678	152	12	in	in	ADP
admet-678	152	13	table	table	NOUN
admet-678	152	14	4	4	NUM
admet-678	152	15	.	.	PUNCT
admet-678	153	1	as	as	SCONJ
admet-678	153	2	can	can	AUX
admet-678	153	3	be	be	AUX
admet-678	153	4	seen	see	VERB
admet-678	153	5	,	,	PUNCT
admet-678	153	6	predictions	prediction	NOUN
admet-678	153	7	are	be	AUX
admet-678	153	8	within	within	ADP
admet-678	153	9	the	the	DET
admet-678	153	10	range	range	NOUN
admet-678	153	11	of	of	ADP
admet-678	153	12	experimental	experimental	ADJ
admet-678	153	13	error	error	NOUN
admet-678	153	14	,	,	PUNCT
admet-678	153	15	so	so	SCONJ
admet-678	153	16	they	they	PRON
admet-678	153	17	are	be	AUX
admet-678	153	18	quite	quite	ADV
admet-678	153	19	acceptable	acceptable	ADJ
admet-678	153	20	.	.	PUNCT
admet-678	154	1	it	it	PRON
admet-678	154	2	should	should	AUX
admet-678	154	3	be	be	AUX
admet-678	154	4	mentioned	mention	VERB
admet-678	154	5	that	that	SCONJ
admet-678	154	6	the	the	DET
admet-678	154	7	classification	classification	NOUN
admet-678	154	8	model	model	NOUN
admet-678	154	9	using	use	VERB
admet-678	154	10	lda	lda	PROPN
admet-678	154	11	,	,	PUNCT
admet-678	154	12	as	as	SCONJ
admet-678	154	13	previously	previously	ADV
admet-678	154	14	shown	show	VERB
admet-678	154	15	in	in	ADP
admet-678	154	16	equation	equation	NOUN
admet-678	154	17	(	(	PUNCT
admet-678	154	18	3	3	NUM
admet-678	154	19	)	)	PUNCT
admet-678	154	20	,	,	PUNCT
admet-678	154	21	correctly	correctly	ADV
admet-678	154	22	predicts	predict	VERB
admet-678	154	23	the	the	DET
admet-678	154	24	activity	activity	NOUN
admet-678	154	25	of	of	ADP
admet-678	154	26	the	the	DET
admet-678	154	27	four	four	NUM
admet-678	154	28	inhibitors	inhibitor	NOUN
admet-678	154	29	shown	show	VERB
admet-678	154	30	in	in	ADP
admet-678	154	31	table	table	NOUN
admet-678	154	32	4	4	NUM
admet-678	154	33	.	.	PUNCT
admet-678	154	34	table	table	NOUN
admet-678	154	35	4	4	NUM
admet-678	154	36	.	.	PUNCT
admet-678	155	1	predictions	prediction	NOUN
admet-678	155	2	from	from	ADP
admet-678	155	3	the	the	DET
admet-678	155	4	derived	derive	VERB
admet-678	155	5	qsar	qsar	NOUN
admet-678	155	6	model	model	NOUN
admet-678	155	7	known	know	VERB
admet-678	155	8	inhibitors	inhibitor	NOUN
admet-678	155	9	activity	activity	NOUN
admet-678	155	10	(	(	PUNCT
admet-678	155	11	observed	observe	VERB
admet-678	155	12	)	)	PUNCT
admet-678	155	13	a	a	DET
admet-678	155	14	activity	activity	NOUN
admet-678	155	15	(	(	PUNCT
admet-678	155	16	predicted	predict	VERB
admet-678	155	17	)	)	PUNCT
admet-678	156	1	b	b	PROPN
admet-678	156	2	pmodx	pmodx	NOUN
admet-678	156	3	(	(	PUNCT
admet-678	156	4	ps	ps	NOUN
admet-678	156	5	)	)	PUNCT
admet-678	156	6	c	c	NOUN
admet-678	156	7	nicotine	nicotine	VERB
admet-678	156	8	98.1	98.1	NUM
admet-678	156	9	91.614	91.614	NUM
admet-678	156	10	0.03391	0.03391	NUM
admet-678	156	11	tranylcypromine	tranylcypromine	VERB
admet-678	156	12	12.9	12.9	NUM
admet-678	156	13	29.952	29.952	NUM
admet-678	156	14	0.31252	0.31252	NUM
admet-678	156	15	cotinine	cotinine	NOUN
admet-678	156	16	96.2	96.2	NUM
admet-678	156	17	99.324	99.324	NUM
admet-678	156	18	0.00343	0.00343	NUM
admet-678	156	19	sm-12502	sm-12502	NOUN
admet-678	156	20	85.9	85.9	NUM
admet-678	156	21	84.476	84.476	NUM
admet-678	156	22	0.01204	0.01204	NUM
admet-678	156	23	a	a	DET
admet-678	156	24	activities	activity	NOUN
admet-678	156	25	expressed	express	VERB
admet-678	156	26	as	as	ADP
admet-678	156	27	ra%	ra%	NOUN
admet-678	156	28	(	(	PUNCT
admet-678	156	29	source	source	NOUN
admet-678	156	30	:	:	PUNCT
admet-678	156	31	fujita	fujita	PROPN
admet-678	156	32	and	and	CCONJ
admet-678	156	33	kamataki	kamataki	NOUN
admet-678	156	34	,	,	PUNCT
admet-678	156	35	2001	2001	NUM
admet-678	156	36	)	)	PUNCT
admet-678	156	37	b	b	NOUN
admet-678	156	38	predicted	predict	VERB
admet-678	156	39	activity	activity	NOUN
admet-678	156	40	values	value	NOUN
admet-678	156	41	(	(	PUNCT
admet-678	156	42	ra%	ra%	NOUN
admet-678	156	43	)	)	PUNCT
admet-678	156	44	using	use	VERB
admet-678	156	45	the	the	DET
admet-678	156	46	developed	developed	ADJ
admet-678	156	47	pls-1	pls-1	NUM
admet-678	156	48	model	model	NOUN
admet-678	156	49	c	c	NOUN
admet-678	156	50	probability	probability	NOUN
admet-678	156	51	of	of	ADP
admet-678	156	52	belonging	belong	VERB
admet-678	156	53	to	to	ADP
admet-678	156	54	the	the	DET
admet-678	156	55	descriptor	descriptor	NOUN
admet-678	156	56	space	space	NOUN
admet-678	156	57	used	use	VERB
admet-678	156	58	in	in	ADP
admet-678	156	59	the	the	DET
admet-678	156	60	model	model	NOUN
admet-678	156	61	.	.	PUNCT
admet-678	157	1	in	in	ADP
admet-678	157	2	this	this	DET
admet-678	157	3	case	case	NOUN
admet-678	157	4	,	,	PUNCT
admet-678	157	5	tranylcypromine	tranylcypromine	NOUN
admet-678	157	6	and	and	CCONJ
admet-678	157	7	sm-12502	sm-12502	VERB
admet-678	157	8	they	they	PRON
admet-678	157	9	belong	belong	VERB
admet-678	157	10	,	,	PUNCT
admet-678	157	11	while	while	SCONJ
admet-678	157	12	nicotine	nicotine	NOUN
admet-678	157	13	and	and	CCONJ
admet-678	157	14	cotinine	cotinine	NOUN
admet-678	157	15	are	be	AUX
admet-678	157	16	borderline	borderline	NOUN
admet-678	157	17	.	.	PUNCT
admet-678	158	1	as	as	SCONJ
admet-678	158	2	previously	previously	ADV
admet-678	158	3	mentioned	mention	VERB
admet-678	158	4	,	,	PUNCT
admet-678	158	5	the	the	DET
admet-678	158	6	validity	validity	NOUN
admet-678	158	7	of	of	ADP
admet-678	158	8	the	the	DET
admet-678	158	9	pls-1	pls-1	PUNCT
admet-678	158	10	model	model	NOUN
admet-678	158	11	was	be	AUX
admet-678	158	12	additionally	additionally	ADV
admet-678	158	13	tested	test	VERB
admet-678	158	14	by	by	ADP
admet-678	158	15	a	a	DET
admet-678	158	16	permutation	permutation	NOUN
admet-678	158	17	test	test	NOUN
admet-678	158	18	.	.	PUNCT
admet-678	159	1	models	model	NOUN
admet-678	159	2	were	be	AUX
admet-678	159	3	recalculated	recalculate	VERB
admet-678	159	4	for	for	ADP
admet-678	159	5	randomly	randomly	ADV
admet-678	159	6	reordered	reorder	VERB
admet-678	159	7	response	response	NOUN
admet-678	159	8	data	datum	NOUN
admet-678	159	9	(	(	PUNCT
admet-678	159	10	ra%	ra%	NOUN
admet-678	159	11	)	)	PUNCT
admet-678	159	12	.	.	PUNCT
admet-678	160	1	these	these	DET
admet-678	160	2	permuted	permute	VERB
admet-678	160	3	ra%	ra%	NOUN
admet-678	160	4	values	value	NOUN
admet-678	160	5	were	be	AUX
admet-678	160	6	related	relate	VERB
admet-678	160	7	to	to	ADP
admet-678	160	8	intact	intact	ADJ
admet-678	160	9	predictor	predictor	NOUN
admet-678	160	10	data	datum	NOUN
admet-678	160	11	by	by	ADP
admet-678	160	12	refitting	refit	VERB
admet-678	160	13	the	the	DET
admet-678	160	14	model	model	NOUN
admet-678	160	15	and	and	CCONJ
admet-678	160	16	including	include	VERB
admet-678	160	17	crossvalidation	crossvalidation	NOUN
admet-678	160	18	.	.	PUNCT
admet-678	161	1	when	when	SCONJ
admet-678	161	2	r2	r2	PROPN
admet-678	161	3	and	and	CCONJ
admet-678	161	4	q2	q2	NOUN
admet-678	161	5	were	be	AUX
admet-678	161	6	plotted	plot	VERB
admet-678	161	7	as	as	ADP
admet-678	161	8	a	a	DET
admet-678	161	9	function	function	NOUN
admet-678	161	10	of	of	ADP
admet-678	161	11	the	the	DET
admet-678	161	12	correlation	correlation	NOUN
admet-678	161	13	coefficient	coefficient	NOUN
admet-678	161	14	between	between	ADP
admet-678	161	15	the	the	DET
admet-678	161	16	original	original	ADJ
admet-678	161	17	values	value	NOUN
admet-678	161	18	and	and	CCONJ
admet-678	161	19	the	the	DET
admet-678	161	20	predicted	predict	VERB
admet-678	161	21	values	value	NOUN
admet-678	161	22	,	,	PUNCT
admet-678	161	23	the	the	DET
admet-678	161	24	interception	interception	NOUN
admet-678	161	25	point	point	NOUN
admet-678	161	26	with	with	ADP
admet-678	161	27	the	the	DET
admet-678	161	28	y	y	PROPN
admet-678	161	29	axis	axis	NOUN
admet-678	161	30	expressed	express	VERB
admet-678	161	31	how	how	SCONJ
admet-678	161	32	much	much	ADJ
admet-678	161	33	these	these	DET
admet-678	161	34	values	value	NOUN
admet-678	161	35	rely	rely	VERB
admet-678	161	36	on	on	ADP
admet-678	161	37	chance	chance	NOUN
admet-678	161	38	.	.	PUNCT
admet-678	162	1	in	in	ADP
admet-678	162	2	figure	figure	NOUN
admet-678	162	3	7	7	NUM
admet-678	162	4	,	,	PUNCT
admet-678	162	5	the	the	DET
admet-678	162	6	corresponding	corresponding	ADJ
admet-678	162	7	plot	plot	NOUN
admet-678	162	8	of	of	ADP
admet-678	162	9	ra%	ra%	NOUN
admet-678	162	10	response	response	NOUN
admet-678	162	11	permutation	permutation	NOUN
admet-678	162	12	test	test	NOUN
admet-678	162	13	is	be	AUX
admet-678	162	14	presented	present	VERB
admet-678	162	15	.	.	PUNCT
admet-678	163	1	the	the	DET
admet-678	163	2	vertical	vertical	ADJ
admet-678	163	3	axis	axis	NOUN
admet-678	163	4	gives	give	VERB
admet-678	163	5	the	the	DET
admet-678	163	6	r2	r2	PROPN
admet-678	163	7	and	and	CCONJ
admet-678	163	8	q2	q2	NOUN
admet-678	163	9	values	value	NOUN
admet-678	163	10	of	of	ADP
admet-678	163	11	each	each	DET
admet-678	163	12	test	test	NOUN
admet-678	163	13	.	.	PUNCT
admet-678	164	1	the	the	DET
admet-678	164	2	horizontal	horizontal	ADJ
admet-678	164	3	axis	axis	NOUN
admet-678	164	4	represents	represent	VERB
admet-678	164	5	the	the	DET
admet-678	164	6	correlation	correlation	NOUN
admet-678	164	7	coefficient	coefficient	NOUN
admet-678	164	8	between	between	ADP
admet-678	164	9	the	the	DET
admet-678	164	10	observed	observed	ADJ
admet-678	164	11	and	and	CCONJ
admet-678	164	12	the	the	DET
admet-678	164	13	permuted	permuted	ADJ
admet-678	164	14	ra%	ra%	NOUN
admet-678	164	15	values	value	NOUN
admet-678	164	16	(	(	PUNCT
admet-678	164	17	200	200	NUM
admet-678	164	18	permutations	permutation	NOUN
admet-678	164	19	of	of	ADP
admet-678	164	20	the	the	DET
admet-678	164	21	ra%	ra%	NOUN
admet-678	164	22	dependent	dependent	ADJ
admet-678	164	23	variable	variable	NOUN
admet-678	164	24	under	under	ADP
admet-678	164	25	study	study	NOUN
admet-678	164	26	)	)	PUNCT
admet-678	164	27	.	.	PUNCT
admet-678	165	1	figure	figure	VERB
admet-678	165	2	7	7	NUM
admet-678	165	3	.	.	PUNCT
admet-678	165	4	permutation	permutation	NOUN
admet-678	165	5	graph	graph	NOUN
admet-678	165	6	of	of	ADP
admet-678	165	7	the	the	DET
admet-678	165	8	pls-1	pls-1	ADV
admet-678	165	9	derived	derived	ADJ
admet-678	165	10	model	model	NOUN
admet-678	165	11	.	.	PUNCT
admet-678	166	1	the	the	DET
admet-678	166	2	intersection	intersection	NOUN
admet-678	166	3	of	of	ADP
admet-678	166	4	the	the	DET
admet-678	166	5	two	two	NUM
admet-678	166	6	regression	regression	NOUN
admet-678	166	7	lines	line	NOUN
admet-678	166	8	(	(	PUNCT
admet-678	166	9	for	for	ADP
admet-678	166	10	r2	r2	PROPN
admet-678	166	11	and	and	CCONJ
admet-678	166	12	q	q	NOUN
admet-678	166	13	2	2	NUM
admet-678	166	14	)	)	PUNCT
admet-678	166	15	in	in	ADP
admet-678	166	16	the	the	DET
admet-678	166	17	figure	figure	NOUN
admet-678	166	18	indicates	indicate	VERB
admet-678	166	19	the	the	DET
admet-678	166	20	degree	degree	NOUN
admet-678	166	21	of	of	ADP
admet-678	166	22	overshooting	overshooting	NOUN
admet-678	166	23	and	and	CCONJ
admet-678	166	24	predictability	predictability	NOUN
admet-678	166	25	.	.	PUNCT
admet-678	167	1	in	in	ADP
admet-678	167	2	general	general	ADJ
admet-678	167	3	,	,	PUNCT
admet-678	167	4	the	the	DET
admet-678	167	5	valid	valid	ADJ
admet-678	167	6	model	model	NOUN
admet-678	167	7	limits	limit	NOUN
admet-678	167	8	include	include	VERB
admet-678	167	9	values	value	NOUN
admet-678	167	10	of	of	ADP
admet-678	167	11	r2	r2	PROPN
admet-678	167	12	<	<	X
admet-678	167	13	0.30	0.30	NUM
admet-678	167	14	and	and	CCONJ
admet-678	167	15	q	q	PROPN
admet-678	167	16	2	2	NUM
admet-678	167	17	<	<	NOUN
admet-678	167	18	0.30	0.30	NUM
admet-678	167	19	.	.	PUNCT
admet-678	168	1	this	this	DET
admet-678	168	2	condition	condition	NOUN
admet-678	168	3	is	be	AUX
admet-678	168	4	fulfilled	fulfil	VERB
admet-678	168	5	,	,	PUNCT
admet-678	168	6	indicating	indicate	VERB
admet-678	168	7	that	that	SCONJ
admet-678	168	8	the	the	DET
admet-678	168	9	pls-1	pls-1	PUNCT
admet-678	168	10	model	model	NOUN
admet-678	168	11	obtained	obtain	VERB
admet-678	168	12	is	be	AUX
admet-678	168	13	suitable	suitable	ADJ
admet-678	168	14	both	both	PRON
admet-678	168	15	,	,	PUNCT
admet-678	168	16	for	for	ADP
admet-678	168	17	its	its	PRON
admet-678	168	18	adjustability	adjustability	NOUN
admet-678	168	19	as	as	ADP
admet-678	168	20	for	for	ADP
admet-678	168	21	its	its	PRON
admet-678	168	22	predictive	predictive	ADJ
admet-678	168	23	ability	ability	NOUN
admet-678	168	24	.	.	PUNCT
admet-678	169	1	admet	admet	PROPN
admet-678	169	2	&	&	CCONJ
admet-678	169	3	dmpk	dmpk	PROPN
admet-678	169	4	7(3	7(3	NUM
admet-678	169	5	)	)	PUNCT
admet-678	169	6	(	(	PUNCT
admet-678	169	7	2019	2019	NUM
admet-678	169	8	)	)	PUNCT
admet-678	169	9	196	196	NUM
admet-678	169	10	-	-	SYM
admet-678	169	11	209	209	NUM
admet-678	169	12	organosulfur	organosulfur	NOUN
admet-678	169	13	–	–	PUNCT
admet-678	169	14	cyp2a6	cyp2a6	NOUN
admet-678	169	15	qsar	qsar	NOUN
admet-678	169	16	study	study	NOUN
admet-678	169	17	doi	doi	NOUN
admet-678	169	18	:	:	PUNCT
admet-678	169	19	10.5599	10.5599	NUM
admet-678	169	20	/	/	SYM
admet-678	169	21	admet.678	admet.678	NOUN
admet-678	169	22	207	207	NUM
admet-678	169	23	discussion	discussion	NOUN
admet-678	169	24	the	the	DET
admet-678	169	25	qsar	qsar	NOUN
admet-678	169	26	models	model	NOUN
admet-678	169	27	here	here	ADV
admet-678	169	28	proposed	propose	VERB
admet-678	169	29	showed	show	VERB
admet-678	169	30	the	the	DET
admet-678	169	31	main	main	ADJ
admet-678	169	32	factors	factor	NOUN
admet-678	169	33	prevailing	prevail	VERB
admet-678	169	34	the	the	DET
admet-678	169	35	osc	osc	ADJ
admet-678	169	36	-	-	PUNCT
admet-678	169	37	cyp2a6	cyp2a6	NOUN
admet-678	169	38	binding	binding	NOUN
admet-678	169	39	.	.	PUNCT
admet-678	170	1	several	several	ADJ
admet-678	170	2	statistical	statistical	ADJ
admet-678	170	3	analyses	analysis	NOUN
admet-678	170	4	were	be	AUX
admet-678	170	5	carried	carry	VERB
admet-678	170	6	out	out	ADP
admet-678	170	7	for	for	ADP
admet-678	170	8	this	this	DET
admet-678	170	9	purpose	purpose	NOUN
admet-678	170	10	.	.	PUNCT
admet-678	171	1	four	four	NUM
admet-678	171	2	equations	equation	NOUN
admet-678	171	3	resulted	result	VERB
admet-678	171	4	from	from	ADP
admet-678	171	5	the	the	DET
admet-678	171	6	multiple	multiple	ADJ
admet-678	171	7	regression	regression	NOUN
admet-678	171	8	analysis	analysis	NOUN
admet-678	171	9	.	.	PUNCT
admet-678	172	1	the	the	DET
admet-678	172	2	presence	presence	NOUN
admet-678	172	3	of	of	ADP
admet-678	172	4	clogp	clogp	NOUN
admet-678	172	5	in	in	ADP
admet-678	172	6	equation	equation	NOUN
admet-678	172	7	(	(	PUNCT
admet-678	172	8	1	1	X
admet-678	172	9	)	)	PUNCT
admet-678	172	10	suggests	suggest	VERB
admet-678	172	11	that	that	SCONJ
admet-678	172	12	the	the	DET
admet-678	172	13	molecular	molecular	ADJ
admet-678	172	14	lipophilicity	lipophilicity	NOUN
admet-678	172	15	plays	play	VERB
admet-678	172	16	an	an	DET
admet-678	172	17	essential	essential	ADJ
admet-678	172	18	role	role	NOUN
admet-678	172	19	in	in	ADP
admet-678	172	20	the	the	DET
admet-678	172	21	inhibition	inhibition	NOUN
admet-678	172	22	of	of	ADP
admet-678	172	23	cyp2a6	cyp2a6	NOUN
admet-678	172	24	.	.	PUNCT
admet-678	173	1	this	this	DET
admet-678	173	2	fact	fact	NOUN
admet-678	173	3	was	be	AUX
admet-678	173	4	experimentally	experimentally	ADV
admet-678	173	5	demonstrated	demonstrate	VERB
admet-678	173	6	by	by	ADP
admet-678	173	7	yano	yano	PROPN
admet-678	173	8	et	et	PROPN
admet-678	173	9	al	al	PROPN
admet-678	173	10	.	.	PROPN
admet-678	174	1	(	(	PUNCT
admet-678	174	2	2006	2006	NUM
admet-678	174	3	)	)	PUNCT
admet-678	175	1	[	[	X
admet-678	175	2	22	22	NUM
admet-678	175	3	]	]	PUNCT
admet-678	175	4	and	and	CCONJ
admet-678	175	5	corresponds	correspond	VERB
admet-678	175	6	with	with	ADP
admet-678	175	7	the	the	DET
admet-678	175	8	hydrophobic	hydrophobic	ADJ
admet-678	175	9	nature	nature	NOUN
admet-678	175	10	of	of	ADP
admet-678	175	11	the	the	DET
admet-678	175	12	active	active	ADJ
admet-678	175	13	site	site	NOUN
admet-678	175	14	.	.	PUNCT
admet-678	176	1	on	on	ADP
admet-678	176	2	the	the	DET
admet-678	176	3	other	other	ADJ
admet-678	176	4	hand	hand	NOUN
admet-678	176	5	,	,	PUNCT
admet-678	176	6	equation	equation	NOUN
admet-678	176	7	(	(	PUNCT
admet-678	176	8	1	1	X
admet-678	176	9	)	)	PUNCT
admet-678	176	10	shows	show	VERB
admet-678	176	11	a	a	DET
admet-678	176	12	high	high	ADJ
admet-678	176	13	influence	influence	NOUN
admet-678	176	14	of	of	ADP
admet-678	176	15	the	the	DET
admet-678	176	16	molecular	molecular	ADJ
admet-678	176	17	shape	shape	NOUN
admet-678	176	18	in	in	ADP
admet-678	176	19	the	the	DET
admet-678	176	20	inhibition	inhibition	NOUN
admet-678	176	21	process	process	NOUN
admet-678	176	22	,	,	PUNCT
admet-678	176	23	as	as	SCONJ
admet-678	176	24	expressed	express	VERB
admet-678	176	25	by	by	ADP
admet-678	176	26	the	the	DET
admet-678	176	27	asp	asp	PROPN
admet-678	176	28	and	and	CCONJ
admet-678	176	29	e3u	e3u	PROPN
admet-678	176	30	descriptors	descriptor	NOUN
admet-678	176	31	.	.	PUNCT
admet-678	177	1	the	the	DET
admet-678	177	2	presence	presence	NOUN
admet-678	177	3	of	of	ADP
admet-678	177	4	the	the	DET
admet-678	177	5	asp	asp	PROPN
admet-678	177	6	(	(	PUNCT
admet-678	177	7	asphericity	asphericity	NOUN
admet-678	177	8	)	)	PUNCT
admet-678	177	9	descriptor	descriptor	NOUN
admet-678	177	10	,	,	PUNCT
admet-678	177	11	which	which	PRON
admet-678	177	12	is	be	AUX
admet-678	177	13	a	a	DET
admet-678	177	14	measure	measure	NOUN
admet-678	177	15	of	of	ADP
admet-678	177	16	the	the	DET
admet-678	177	17	spherical	spherical	ADJ
admet-678	177	18	shape	shape	NOUN
admet-678	177	19	deviation	deviation	NOUN
admet-678	177	20	of	of	ADP
admet-678	177	21	the	the	DET
admet-678	177	22	molecule	molecule	NOUN
admet-678	177	23	,	,	PUNCT
admet-678	177	24	allows	allow	VERB
admet-678	177	25	us	we	PRON
admet-678	177	26	to	to	PART
admet-678	177	27	infer	infer	VERB
admet-678	177	28	that	that	SCONJ
admet-678	177	29	at	at	ADP
admet-678	177	30	higher	high	ADJ
admet-678	177	31	molecular	molecular	ADJ
admet-678	177	32	elongation	elongation	NOUN
admet-678	177	33	,	,	PUNCT
admet-678	177	34	a	a	DET
admet-678	177	35	more	more	ADV
admet-678	177	36	significant	significant	ADJ
admet-678	177	37	inhibitory	inhibitory	ADJ
admet-678	177	38	activity	activity	NOUN
admet-678	177	39	can	can	AUX
admet-678	177	40	be	be	AUX
admet-678	177	41	observed	observe	VERB
admet-678	177	42	.	.	PUNCT
admet-678	178	1	regarding	regard	VERB
admet-678	178	2	the	the	DET
admet-678	178	3	e3u	e3u	NOUN
admet-678	178	4	geometric	geometric	ADJ
admet-678	178	5	descriptor	descriptor	NOUN
admet-678	178	6	,	,	PUNCT
admet-678	178	7	which	which	PRON
admet-678	178	8	belongs	belong	VERB
admet-678	178	9	to	to	ADP
admet-678	178	10	the	the	DET
admet-678	178	11	directional	directional	ADJ
admet-678	178	12	whim	whim	NOUN
admet-678	178	13	descriptors	descriptor	VERB
admet-678	178	14	encoding	encode	VERB
admet-678	178	15	the	the	DET
admet-678	178	16	planar	planar	ADJ
admet-678	178	17	characteristics	characteristic	NOUN
admet-678	178	18	of	of	ADP
admet-678	178	19	the	the	DET
admet-678	178	20	molecules	molecule	NOUN
admet-678	178	21	,	,	PUNCT
admet-678	178	22	it	it	PRON
admet-678	178	23	will	will	AUX
admet-678	178	24	acquire	acquire	VERB
admet-678	178	25	values	value	NOUN
admet-678	178	26	tending	tend	VERB
admet-678	178	27	to	to	ADP
admet-678	178	28	zero	zero	NUM
admet-678	178	29	for	for	ADP
admet-678	178	30	molecules	molecule	NOUN
admet-678	178	31	ideally	ideally	ADV
admet-678	178	32	planar	planar	VERB
admet-678	178	33	,	,	PUNCT
admet-678	178	34	and	and	CCONJ
admet-678	178	35	values	value	NOUN
admet-678	178	36	tending	tend	VERB
admet-678	178	37	to	to	ADP
admet-678	178	38	one	one	NUM
admet-678	178	39	for	for	ADP
admet-678	178	40	molecules	molecule	NOUN
admet-678	178	41	that	that	PRON
admet-678	178	42	deviate	deviate	VERB
admet-678	178	43	from	from	ADP
admet-678	178	44	this	this	DET
admet-678	178	45	property	property	NOUN
admet-678	178	46	.	.	PUNCT
admet-678	179	1	thus	thus	ADV
admet-678	179	2	,	,	PUNCT
admet-678	179	3	considering	consider	VERB
admet-678	179	4	equation	equation	NOUN
admet-678	179	5	(	(	PUNCT
admet-678	179	6	1	1	NUM
admet-678	179	7	)	)	PUNCT
admet-678	179	8	for	for	ADP
admet-678	179	9	the	the	DET
admet-678	179	10	compounds	compound	NOUN
admet-678	179	11	under	under	ADP
admet-678	179	12	study	study	NOUN
admet-678	179	13	,	,	PUNCT
admet-678	179	14	it	it	PRON
admet-678	179	15	was	be	AUX
admet-678	179	16	observed	observe	VERB
admet-678	179	17	that	that	SCONJ
admet-678	179	18	compounds	compound	VERB
admet-678	179	19	having	have	VERB
admet-678	179	20	lower	low	ADJ
admet-678	179	21	e3u	e3u	NOUN
admet-678	179	22	descriptor	descriptor	NOUN
admet-678	179	23	value	value	NOUN
admet-678	179	24	,	,	PUNCT
admet-678	179	25	generally	generally	ADV
admet-678	179	26	exhibit	exhibit	VERB
admet-678	179	27	a	a	DET
admet-678	179	28	higher	high	ADJ
admet-678	179	29	inhibitory	inhibitory	ADJ
admet-678	179	30	capacity	capacity	NOUN
admet-678	179	31	.	.	PUNCT
admet-678	180	1	furthermore	furthermore	ADV
admet-678	180	2	,	,	PUNCT
admet-678	180	3	from	from	ADP
admet-678	180	4	the	the	DET
admet-678	180	5	analysis	analysis	NOUN
admet-678	180	6	of	of	ADP
admet-678	180	7	equation	equation	NOUN
admet-678	180	8	(	(	PUNCT
admet-678	180	9	1	1	NUM
admet-678	180	10	)	)	PUNCT
admet-678	180	11	,	,	PUNCT
admet-678	180	12	it	it	PRON
admet-678	180	13	was	be	AUX
admet-678	180	14	observed	observe	VERB
admet-678	180	15	that	that	SCONJ
admet-678	180	16	the	the	DET
admet-678	180	17	electronic	electronic	ADJ
admet-678	180	18	factors	factor	NOUN
admet-678	180	19	are	be	AUX
admet-678	180	20	also	also	ADV
admet-678	180	21	involved	involve	VERB
admet-678	180	22	in	in	ADP
admet-678	180	23	the	the	DET
admet-678	180	24	inhibition	inhibition	NOUN
admet-678	180	25	of	of	ADP
admet-678	180	26	cyp2a6	cyp2a6	NOUN
admet-678	180	27	,	,	PUNCT
admet-678	180	28	as	as	SCONJ
admet-678	180	29	expressed	express	VERB
admet-678	180	30	by	by	ADP
admet-678	180	31	µ	µ	PRON
admet-678	180	32	and	and	CCONJ
admet-678	180	33	rpcg	rpcg	ADJ
admet-678	180	34	descriptors	descriptor	NOUN
admet-678	180	35	.	.	PUNCT
admet-678	181	1	hence	hence	ADV
admet-678	181	2	,	,	PUNCT
admet-678	181	3	these	these	DET
admet-678	181	4	descriptors	descriptor	NOUN
admet-678	181	5	reflect	reflect	VERB
admet-678	181	6	the	the	DET
admet-678	181	7	ability	ability	NOUN
admet-678	181	8	of	of	ADP
admet-678	181	9	the	the	DET
admet-678	181	10	compounds	compound	NOUN
admet-678	181	11	to	to	PART
admet-678	181	12	participate	participate	VERB
admet-678	181	13	in	in	ADP
admet-678	181	14	polar	polar	ADJ
admet-678	181	15	interactions	interaction	NOUN
admet-678	181	16	,	,	PUNCT
admet-678	181	17	suggesting	suggest	VERB
admet-678	181	18	that	that	SCONJ
admet-678	181	19	higher	high	ADJ
admet-678	181	20	molecular	molecular	ADJ
admet-678	181	21	polarity	polarity	NOUN
admet-678	181	22	will	will	AUX
admet-678	181	23	correspond	correspond	VERB
admet-678	181	24	to	to	ADP
admet-678	181	25	lower	low	ADJ
admet-678	181	26	activity	activity	NOUN
admet-678	181	27	.	.	PUNCT
admet-678	182	1	an	an	DET
admet-678	182	2	interesting	interesting	ADJ
admet-678	182	3	feature	feature	NOUN
admet-678	182	4	to	to	PART
admet-678	182	5	consider	consider	VERB
admet-678	182	6	from	from	ADP
admet-678	182	7	equations	equation	NOUN
admet-678	182	8	(	(	PUNCT
admet-678	182	9	2	2	NUM
admet-678	182	10	)	)	PUNCT
admet-678	182	11	and	and	CCONJ
admet-678	182	12	(	(	PUNCT
admet-678	182	13	3	3	X
admet-678	182	14	)	)	PUNCT
admet-678	182	15	is	be	AUX
admet-678	182	16	the	the	DET
admet-678	182	17	highly	highly	ADV
admet-678	182	18	significant	significant	ADJ
admet-678	182	19	contribution	contribution	NOUN
admet-678	182	20	of	of	ADP
admet-678	182	21	the	the	DET
admet-678	182	22	electronic	electronic	ADJ
admet-678	182	23	parameter	parameter	NOUN
admet-678	182	24	ehomo	ehomo	NOUN
admet-678	182	25	.	.	PUNCT
admet-678	183	1	the	the	DET
admet-678	183	2	cavity	cavity	NOUN
admet-678	183	3	in	in	ADP
admet-678	183	4	the	the	DET
admet-678	183	5	substrate	substrate	NOUN
admet-678	183	6	-	-	PUNCT
admet-678	183	7	binding	bind	VERB
admet-678	183	8	site	site	NOUN
admet-678	183	9	of	of	ADP
admet-678	183	10	cyp2a6	cyp2a6	PROPN
admet-678	183	11	is	be	AUX
admet-678	183	12	strongly	strongly	ADV
admet-678	183	13	hydrophobic	hydrophobic	ADJ
admet-678	183	14	and	and	CCONJ
admet-678	183	15	this	this	DET
admet-678	183	16	characteristic	characteristic	NOUN
admet-678	183	17	is	be	AUX
admet-678	183	18	due	due	ADJ
admet-678	183	19	to	to	ADP
admet-678	183	20	the	the	DET
admet-678	183	21	presence	presence	NOUN
admet-678	183	22	of	of	ADP
admet-678	183	23	several	several	ADJ
admet-678	183	24	amino	amino	NOUN
admet-678	183	25	acid	acid	NOUN
admet-678	183	26	residues	residue	NOUN
admet-678	183	27	of	of	ADP
admet-678	183	28	phenylalanine	phenylalanine	NOUN
admet-678	183	29	.	.	PUNCT
admet-678	184	1	thus	thus	ADV
admet-678	184	2	,	,	PUNCT
admet-678	184	3	ehomo	ehomo	ADJ
admet-678	184	4	parameter	parameter	NOUN
admet-678	184	5	suggests	suggest	VERB
admet-678	184	6	a	a	DET
admet-678	184	7	π	π	PROPN
admet-678	184	8	-	-	PUNCT
admet-678	184	9	π	π	PROPN
admet-678	184	10	and	and	CCONJ
admet-678	184	11	/	/	SYM
admet-678	184	12	or	or	CCONJ
admet-678	184	13	n	n	CCONJ
admet-678	184	14	-	-	PUNCT
admet-678	184	15	π	π	NOUN
admet-678	184	16	interaction	interaction	NOUN
admet-678	184	17	between	between	ADP
admet-678	184	18	oscs	oscs	NOUN
admet-678	184	19	and	and	CCONJ
admet-678	184	20	phenylalanine	phenylalanine	NOUN
admet-678	184	21	residues	residue	NOUN
admet-678	184	22	.	.	PUNCT
admet-678	185	1	according	accord	VERB
admet-678	185	2	to	to	ADP
admet-678	185	3	previous	previous	ADJ
admet-678	185	4	studies	study	NOUN
admet-678	185	5	concerning	concern	VERB
admet-678	185	6	the	the	DET
admet-678	185	7	catalytic	catalytic	ADJ
admet-678	185	8	versatility	versatility	NOUN
admet-678	185	9	of	of	ADP
admet-678	185	10	cytochrome	cytochrome	NOUN
admet-678	185	11	p450	p450	PROPN
admet-678	185	12	[	[	X
admet-678	185	13	2	2	NUM
admet-678	185	14	]	]	PUNCT
admet-678	185	15	,	,	PUNCT
admet-678	185	16	regarding	regard	VERB
admet-678	185	17	the	the	DET
admet-678	185	18	functional	functional	ADJ
admet-678	185	19	active	active	ADJ
admet-678	185	20	oxygen	oxygen	NOUN
admet-678	185	21	of	of	ADP
admet-678	185	22	heme	heme	NOUN
admet-678	185	23	groups	group	NOUN
admet-678	185	24	,	,	PUNCT
admet-678	185	25	it	it	PRON
admet-678	185	26	has	have	AUX
admet-678	185	27	been	be	AUX
admet-678	185	28	postulated	postulate	VERB
admet-678	185	29	that	that	SCONJ
admet-678	185	30	this	this	DET
admet-678	185	31	group	group	NOUN
admet-678	185	32	shows	show	VERB
admet-678	185	33	nucleophilic	nucleophilic	ADJ
admet-678	185	34	and/or	and/or	CCONJ
admet-678	185	35	electrophilic	electrophilic	ADJ
admet-678	185	36	properties	property	NOUN
admet-678	185	37	catalyzing	catalyze	VERB
admet-678	185	38	different	different	ADJ
admet-678	185	39	type	type	NOUN
admet-678	185	40	of	of	ADP
admet-678	185	41	reactions	reaction	NOUN
admet-678	185	42	such	such	ADJ
admet-678	185	43	as	as	ADP
admet-678	185	44	aldehyde	aldehyde	NOUN
admet-678	185	45	deformilations	deformilation	NOUN
admet-678	185	46	,	,	PUNCT
admet-678	185	47	epoxidations	epoxidation	NOUN
admet-678	185	48	and/or	and/or	CCONJ
admet-678	185	49	hydroxylation	hydroxylation	NOUN
admet-678	185	50	.	.	PUNCT
admet-678	186	1	on	on	ADP
admet-678	186	2	another	another	DET
admet-678	186	3	note	note	NOUN
admet-678	186	4	,	,	PUNCT
admet-678	186	5	the	the	DET
admet-678	186	6	analysis	analysis	NOUN
admet-678	186	7	of	of	ADP
admet-678	186	8	equation	equation	NOUN
admet-678	186	9	(	(	PUNCT
admet-678	186	10	4	4	NUM
admet-678	186	11	)	)	PUNCT
admet-678	186	12	,	,	PUNCT
admet-678	186	13	which	which	PRON
admet-678	186	14	only	only	ADV
admet-678	186	15	considers	consider	VERB
admet-678	186	16	monosulfides	monosulfide	NOUN
admet-678	186	17	,	,	PUNCT
admet-678	186	18	suggests	suggest	VERB
admet-678	186	19	that	that	SCONJ
admet-678	186	20	the	the	DET
admet-678	186	21	electrons	electron	NOUN
admet-678	186	22	donor	donor	NOUN
admet-678	186	23	ability	ability	NOUN
admet-678	186	24	of	of	ADP
admet-678	186	25	these	these	DET
admet-678	186	26	compounds	compound	NOUN
admet-678	186	27	,	,	PUNCT
admet-678	186	28	expressed	express	VERB
admet-678	186	29	through	through	ADP
admet-678	186	30	ehomo	ehomo	ADJ
admet-678	186	31	parameter	parameter	NOUN
admet-678	186	32	,	,	PUNCT
admet-678	186	33	plays	play	VERB
admet-678	186	34	a	a	DET
admet-678	186	35	critical	critical	ADJ
admet-678	186	36	role	role	NOUN
admet-678	186	37	in	in	ADP
admet-678	186	38	the	the	DET
admet-678	186	39	interaction	interaction	NOUN
admet-678	186	40	with	with	ADP
admet-678	186	41	cyp2a6	cyp2a6	PROPN
admet-678	186	42	.	.	PUNCT
admet-678	187	1	thus	thus	ADV
admet-678	187	2	,	,	PUNCT
admet-678	187	3	at	at	ADP
admet-678	187	4	higher	high	ADJ
admet-678	187	5	ehomo	ehomo	ADJ
admet-678	187	6	energy	energy	NOUN
admet-678	187	7	of	of	ADP
admet-678	187	8	monosulfides	monosulfide	NOUN
admet-678	187	9	,	,	PUNCT
admet-678	187	10	a	a	DET
admet-678	187	11	greater	great	ADJ
admet-678	187	12	inhibitory	inhibitory	ADJ
admet-678	187	13	capacity	capacity	NOUN
admet-678	187	14	can	can	AUX
admet-678	187	15	be	be	AUX
admet-678	187	16	observed	observe	VERB
admet-678	187	17	.	.	PUNCT
admet-678	188	1	in	in	ADP
admet-678	188	2	short	short	ADJ
admet-678	188	3	,	,	PUNCT
admet-678	188	4	from	from	ADP
admet-678	188	5	the	the	DET
admet-678	188	6	analysis	analysis	NOUN
admet-678	188	7	of	of	ADP
admet-678	188	8	the	the	DET
admet-678	188	9	equation	equation	NOUN
admet-678	188	10	,	,	PUNCT
admet-678	188	11	it	it	PRON
admet-678	188	12	is	be	AUX
admet-678	188	13	possible	possible	ADJ
admet-678	188	14	to	to	PART
admet-678	188	15	infer	infer	VERB
admet-678	188	16	that	that	SCONJ
admet-678	188	17	the	the	DET
admet-678	188	18	monosulfides	monosulfide	NOUN
admet-678	188	19	could	could	AUX
admet-678	188	20	act	act	VERB
admet-678	188	21	as	as	ADP
admet-678	188	22	nucleophiles	nucleophile	NOUN
admet-678	188	23	and	and	CCONJ
admet-678	188	24	interact	interact	VERB
admet-678	188	25	with	with	ADP
admet-678	188	26	hydroperoxo	hydroperoxo	NOUN
admet-678	188	27	-	-	PUNCT
admet-678	188	28	iron	iron	NOUN
admet-678	188	29	forms	form	NOUN
admet-678	188	30	and/or	and/or	CCONJ
admet-678	188	31	oxenoid	oxenoid	ADJ
admet-678	188	32	-	-	NOUN
admet-678	188	33	iron	iron	NOUN
admet-678	188	34	from	from	ADP
admet-678	188	35	heme	heme	NOUN
admet-678	188	36	group	group	NOUN
admet-678	188	37	.	.	PUNCT
admet-678	189	1	however	however	ADV
admet-678	189	2	,	,	PUNCT
admet-678	189	3	the	the	DET
admet-678	189	4	interaction	interaction	NOUN
admet-678	189	5	efficiency	efficiency	NOUN
admet-678	189	6	between	between	ADP
admet-678	189	7	monosulfides	monosulfide	NOUN
admet-678	189	8	-	-	PUNCT
admet-678	189	9	cyp2a6	cyp2a6	PROPN
admet-678	189	10	also	also	ADV
admet-678	189	11	depends	depend	VERB
admet-678	189	12	on	on	ADP
admet-678	189	13	the	the	DET
admet-678	189	14	hydrophobicity	hydrophobicity	NOUN
admet-678	189	15	,	,	PUNCT
admet-678	189	16	or	or	CCONJ
admet-678	189	17	alternatively	alternatively	ADV
admet-678	189	18	on	on	ADP
admet-678	189	19	the	the	DET
admet-678	189	20	lower	low	ADJ
admet-678	189	21	polarity	polarity	NOUN
admet-678	189	22	that	that	PRON
admet-678	189	23	these	these	DET
admet-678	189	24	compounds	compound	VERB
admet-678	189	25	present	present	ADJ
admet-678	189	26	,	,	PUNCT
admet-678	189	27	as	as	SCONJ
admet-678	189	28	reflected	reflect	VERB
admet-678	189	29	by	by	ADP
admet-678	189	30	equations	equation	NOUN
admet-678	189	31	(	(	PUNCT
admet-678	189	32	1	1	NUM
admet-678	189	33	)	)	PUNCT
admet-678	189	34	and	and	CCONJ
admet-678	189	35	(	(	PUNCT
admet-678	189	36	2	2	NUM
admet-678	189	37	)	)	PUNCT
admet-678	189	38	.	.	PUNCT
admet-678	190	1	an	an	DET
admet-678	190	2	important	important	ADJ
admet-678	190	3	aspect	aspect	NOUN
admet-678	190	4	to	to	PART
admet-678	190	5	mention	mention	VERB
admet-678	190	6	is	be	AUX
admet-678	190	7	that	that	SCONJ
admet-678	190	8	the	the	DET
admet-678	190	9	elumo	elumo	ADJ
admet-678	190	10	parameter	parameter	NOUN
admet-678	190	11	was	be	AUX
admet-678	190	12	not	not	PART
admet-678	190	13	significant	significant	ADJ
admet-678	190	14	as	as	ADP
admet-678	190	15	a	a	DET
admet-678	190	16	descriptor	descriptor	NOUN
admet-678	190	17	variable	variable	NOUN
admet-678	190	18	in	in	ADP
admet-678	190	19	any	any	PRON
admet-678	190	20	of	of	ADP
admet-678	190	21	the	the	DET
admet-678	190	22	models	model	NOUN
admet-678	190	23	investigated	investigate	VERB
admet-678	190	24	.	.	PUNCT
admet-678	191	1	this	this	DET
admet-678	191	2	fact	fact	NOUN
admet-678	191	3	suggests	suggest	VERB
admet-678	191	4	that	that	SCONJ
admet-678	191	5	in	in	ADP
admet-678	191	6	the	the	DET
admet-678	191	7	case	case	NOUN
admet-678	191	8	of	of	ADP
admet-678	191	9	the	the	DET
admet-678	191	10	disulfides	disulfide	NOUN
admet-678	191	11	,	,	PUNCT
admet-678	191	12	the	the	DET
admet-678	191	13	ability	ability	NOUN
admet-678	191	14	to	to	PART
admet-678	191	15	accept	accept	VERB
admet-678	191	16	electrons	electron	NOUN
admet-678	191	17	was	be	AUX
admet-678	191	18	not	not	PART
admet-678	191	19	relevant	relevant	ADJ
admet-678	191	20	to	to	ADP
admet-678	191	21	the	the	DET
admet-678	191	22	cyp2a6	cyp2a6	NOUN
admet-678	191	23	-	-	PUNCT
admet-678	191	24	disulfide	disulfide	NOUN
admet-678	191	25	interaction	interaction	NOUN
admet-678	191	26	.	.	PUNCT
admet-678	192	1	thus	thus	ADV
admet-678	192	2	,	,	PUNCT
admet-678	192	3	it	it	PRON
admet-678	192	4	is	be	AUX
admet-678	192	5	possible	possible	ADJ
admet-678	192	6	to	to	PART
admet-678	192	7	postulate	postulate	VERB
admet-678	192	8	that	that	SCONJ
admet-678	192	9	the	the	DET
admet-678	192	10	inhibitory	inhibitory	ADJ
admet-678	192	11	potency	potency	NOUN
admet-678	192	12	of	of	ADP
admet-678	192	13	the	the	DET
admet-678	192	14	disulfides	disulfide	NOUN
admet-678	192	15	depends	depend	VERB
admet-678	192	16	mainly	mainly	ADV
admet-678	192	17	on	on	ADP
admet-678	192	18	geometric	geometric	ADJ
admet-678	192	19	and	and	CCONJ
admet-678	192	20	electronic	electronic	ADJ
admet-678	192	21	factors	factor	NOUN
admet-678	192	22	.	.	PUNCT
admet-678	193	1	to	to	PART
admet-678	193	2	further	far	ADV
admet-678	193	3	investigate	investigate	VERB
admet-678	193	4	the	the	DET
admet-678	193	5	oscs	oscs	NOUN
admet-678	193	6	-	-	PUNCT
admet-678	193	7	cyp2a6	cyp2a6	NOUN
admet-678	193	8	binding	binding	NOUN
admet-678	193	9	,	,	PUNCT
admet-678	193	10	a	a	DET
admet-678	193	11	pls-1	pls-1	ADJ
admet-678	193	12	analysis	analysis	NOUN
admet-678	193	13	was	be	AUX
admet-678	193	14	carried	carry	VERB
admet-678	193	15	out	out	ADP
admet-678	193	16	.	.	PUNCT
admet-678	194	1	analyzing	analyze	VERB
admet-678	194	2	the	the	DET
admet-678	194	3	model	model	NOUN
admet-678	194	4	coefficients	coefficient	NOUN
admet-678	194	5	(	(	PUNCT
admet-678	194	6	figure	figure	NOUN
admet-678	194	7	6	6	NUM
admet-678	194	8	)	)	PUNCT
admet-678	194	9	,	,	PUNCT
admet-678	194	10	it	it	PRON
admet-678	194	11	was	be	AUX
admet-678	194	12	observed	observe	VERB
admet-678	194	13	that	that	SCONJ
admet-678	194	14	the	the	DET
admet-678	194	15	geometric	geometric	ADJ
admet-678	194	16	terms	term	NOUN
admet-678	194	17	e1u	e1u	ADP
admet-678	194	18	,	,	PUNCT
admet-678	194	19	e3u	e3u	NOUN
admet-678	194	20	,	,	PUNCT
admet-678	194	21	and	and	CCONJ
admet-678	194	22	spam	spam	NOUN
admet-678	194	23	play	play	VERB
admet-678	194	24	an	an	DET
admet-678	194	25	essential	essential	ADJ
admet-678	194	26	role	role	NOUN
admet-678	194	27	in	in	ADP
admet-678	194	28	the	the	DET
admet-678	194	29	model	model	NOUN
admet-678	194	30	fit	fit	NOUN
admet-678	194	31	,	,	PUNCT
admet-678	194	32	in	in	ADP
admet-678	194	33	agreement	agreement	NOUN
admet-678	194	34	with	with	ADP
admet-678	194	35	the	the	DET
admet-678	194	36	mlr	mlr	NOUN
admet-678	194	37	technique	technique	NOUN
admet-678	194	38	results	result	NOUN
admet-678	194	39	.	.	PUNCT
admet-678	195	1	this	this	DET
admet-678	195	2	aspect	aspect	NOUN
admet-678	195	3	indicates	indicate	VERB
admet-678	195	4	the	the	DET
admet-678	195	5	crucial	crucial	ADJ
admet-678	195	6	role	role	NOUN
admet-678	195	7	of	of	ADP
admet-678	195	8	steric	steric	ADJ
admet-678	195	9	factors	factor	NOUN
admet-678	195	10	(	(	PUNCT
admet-678	195	11	including	include	VERB
admet-678	195	12	non	non	ADJ
admet-678	195	13	-	-	ADJ
admet-678	195	14	specific	specific	ADJ
admet-678	195	15	van	van	NOUN
admet-678	195	16	der	der	NOUN
admet-678	195	17	waals	waal	NOUN
admet-678	195	18	interactions	interaction	NOUN
admet-678	195	19	)	)	PUNCT
admet-678	195	20	in	in	ADP
admet-678	195	21	the	the	DET
admet-678	195	22	inhibitory	inhibitory	ADJ
admet-678	195	23	activity	activity	NOUN
admet-678	195	24	exerted	exert	VERB
admet-678	195	25	by	by	ADP
admet-678	195	26	such	such	ADJ
admet-678	195	27	compounds	compound	NOUN
admet-678	195	28	.	.	PUNCT
admet-678	196	1	the	the	DET
admet-678	196	2	other	other	ADJ
admet-678	196	3	molecular	molecular	ADJ
admet-678	196	4	parameters	parameter	NOUN
admet-678	196	5	showed	show	VERB
admet-678	196	6	the	the	DET
admet-678	196	7	importance	importance	NOUN
admet-678	196	8	of	of	ADP
admet-678	196	9	the	the	DET
admet-678	196	10	electronic	electronic	ADJ
admet-678	196	11	aspects	aspect	NOUN
admet-678	196	12	of	of	ADP
admet-678	196	13	the	the	DET
admet-678	196	14	oscd.a	oscd.a	NOUN
admet-678	196	15	.	.	PUNCT
admet-678	197	1	ramirez	ramirez	PROPN
admet-678	197	2	et	et	PROPN
admet-678	197	3	al	al	PROPN
admet-678	197	4	.	.	PROPN
admet-678	197	5	admet	admet	PROPN
admet-678	197	6	&	&	CCONJ
admet-678	197	7	dmpk	dmpk	PROPN
admet-678	197	8	7(3	7(3	NUM
admet-678	197	9	)	)	PUNCT
admet-678	197	10	(	(	PUNCT
admet-678	197	11	2019	2019	NUM
admet-678	197	12	)	)	PUNCT
admet-678	197	13	196	196	NUM
admet-678	197	14	-	-	SYM
admet-678	197	15	209	209	NUM
admet-678	197	16	208	208	NUM
admet-678	197	17	cyp2a6	cyp2a6	NOUN
admet-678	197	18	interaction	interaction	NOUN
admet-678	197	19	.	.	PUNCT
admet-678	198	1	the	the	DET
admet-678	198	2	presence	presence	NOUN
admet-678	198	3	of	of	ADP
admet-678	198	4	rncg	rncg	PROPN
admet-678	198	5	,	,	PUNCT
admet-678	198	6	µ	µ	NOUN
admet-678	198	7	and	and	CCONJ
admet-678	198	8	ldip	ldip	ADJ
admet-678	198	9	coefficients	coefficient	NOUN
admet-678	198	10	in	in	ADP
admet-678	198	11	the	the	DET
admet-678	198	12	model	model	NOUN
admet-678	198	13	indicates	indicate	VERB
admet-678	198	14	that	that	SCONJ
admet-678	198	15	an	an	DET
admet-678	198	16	increase	increase	NOUN
admet-678	198	17	in	in	ADP
admet-678	198	18	the	the	DET
admet-678	198	19	molecular	molecular	ADJ
admet-678	198	20	polarity	polarity	NOUN
admet-678	198	21	plays	play	VERB
admet-678	198	22	a	a	DET
admet-678	198	23	negative	negative	ADJ
admet-678	198	24	effect	effect	NOUN
admet-678	198	25	on	on	ADP
admet-678	198	26	the	the	DET
admet-678	198	27	inhibitory	inhibitory	ADJ
admet-678	198	28	activity	activity	NOUN
admet-678	198	29	of	of	ADP
admet-678	198	30	the	the	DET
admet-678	198	31	oscs	osc	NOUN
admet-678	198	32	;	;	PUNCT
admet-678	198	33	which	which	PRON
admet-678	198	34	fully	fully	ADV
admet-678	198	35	corresponds	correspond	VERB
admet-678	198	36	with	with	ADP
admet-678	198	37	the	the	DET
admet-678	198	38	current	current	ADJ
admet-678	198	39	knowledge	knowledge	NOUN
admet-678	198	40	on	on	ADP
admet-678	198	41	the	the	DET
admet-678	198	42	hydrophobic	hydrophobic	ADJ
admet-678	198	43	nature	nature	NOUN
admet-678	198	44	of	of	ADP
admet-678	198	45	the	the	DET
admet-678	198	46	active	active	ADJ
admet-678	198	47	site	site	NOUN
admet-678	198	48	.	.	PUNCT
admet-678	199	1	finally	finally	ADV
admet-678	199	2	,	,	PUNCT
admet-678	199	3	the	the	DET
admet-678	199	4	model	model	NOUN
admet-678	199	5	showed	show	VERB
admet-678	199	6	that	that	SCONJ
admet-678	199	7	in	in	ADP
admet-678	199	8	the	the	DET
admet-678	199	9	case	case	NOUN
admet-678	199	10	of	of	ADP
admet-678	199	11	monosulfides	monosulfide	NOUN
admet-678	199	12	,	,	PUNCT
admet-678	199	13	ehomo	ehomo	ADJ
admet-678	199	14	electronic	electronic	ADJ
admet-678	199	15	parameter	parameter	NOUN
admet-678	199	16	,	,	PUNCT
admet-678	199	17	or	or	CCONJ
admet-678	199	18	the	the	DET
admet-678	199	19	ability	ability	NOUN
admet-678	199	20	to	to	PART
admet-678	199	21	donate	donate	VERB
admet-678	199	22	electrons	electron	NOUN
admet-678	199	23	,	,	PUNCT
admet-678	199	24	is	be	AUX
admet-678	199	25	a	a	DET
admet-678	199	26	significant	significant	ADJ
admet-678	199	27	factor	factor	NOUN
admet-678	199	28	in	in	ADP
admet-678	199	29	the	the	DET
admet-678	199	30	enzyme	enzyme	NOUN
admet-678	199	31	-	-	PUNCT
admet-678	199	32	inhibitor	inhibitor	NOUN
admet-678	199	33	binding	binding	NOUN
admet-678	199	34	.	.	PUNCT
admet-678	200	1	conclusions	conclusion	NOUN
admet-678	200	2	this	this	DET
admet-678	200	3	work	work	NOUN
admet-678	200	4	allows	allow	VERB
admet-678	200	5	obtaining	obtain	VERB
admet-678	200	6	a	a	DET
admet-678	200	7	better	well	ADJ
admet-678	200	8	understanding	understanding	NOUN
admet-678	200	9	of	of	ADP
admet-678	200	10	the	the	DET
admet-678	200	11	mechanisms	mechanism	NOUN
admet-678	200	12	involved	involve	VERB
admet-678	200	13	between	between	ADP
admet-678	200	14	the	the	DET
admet-678	200	15	enzyme	enzyme	NOUN
admet-678	200	16	cyp2a6	cyp2a6	NOUN
admet-678	200	17	and	and	CCONJ
admet-678	200	18	oscs	osc	NOUN
admet-678	200	19	.	.	PUNCT
admet-678	201	1	the	the	DET
admet-678	201	2	obtained	obtain	VERB
admet-678	201	3	results	result	NOUN
admet-678	201	4	indicate	indicate	VERB
admet-678	201	5	that	that	SCONJ
admet-678	201	6	hydrophobic	hydrophobic	NOUN
admet-678	201	7	and	and	CCONJ
admet-678	201	8	steric	steric	ADJ
admet-678	201	9	factors	factor	NOUN
admet-678	201	10	govern	govern	VERB
admet-678	201	11	the	the	DET
admet-678	201	12	union	union	NOUN
admet-678	201	13	,	,	PUNCT
admet-678	201	14	while	while	SCONJ
admet-678	201	15	electronic	electronic	ADJ
admet-678	201	16	factors	factor	NOUN
admet-678	201	17	via	via	ADP
admet-678	201	18	the	the	DET
admet-678	201	19	electrons	electron	NOUN
admet-678	201	20	donor	donor	NOUN
admet-678	201	21	ability	ability	NOUN
admet-678	201	22	are	be	AUX
admet-678	201	23	strongly	strongly	ADV
admet-678	201	24	involved	involve	VERB
admet-678	201	25	in	in	ADP
admet-678	201	26	the	the	DET
admet-678	201	27	case	case	NOUN
admet-678	201	28	of	of	ADP
admet-678	201	29	monosulfides	monosulfide	NOUN
admet-678	201	30	,	,	PUNCT
admet-678	201	31	which	which	PRON
admet-678	201	32	could	could	AUX
admet-678	201	33	act	act	VERB
admet-678	201	34	as	as	ADP
admet-678	201	35	nucleophiles	nucleophile	NOUN
admet-678	201	36	and	and	CCONJ
admet-678	201	37	interact	interact	VERB
admet-678	201	38	with	with	ADP
admet-678	201	39	hydroperoxo	hydroperoxo	NOUN
admet-678	201	40	-	-	PUNCT
admet-678	201	41	iron	iron	NOUN
admet-678	201	42	forms	form	NOUN
admet-678	201	43	and/or	and/or	CCONJ
admet-678	201	44	iron	iron	NOUN
admet-678	201	45	-	-	PUNCT
admet-678	201	46	oxenoid	oxenoid	NOUN
admet-678	201	47	from	from	ADP
admet-678	201	48	heme	heme	NOUN
admet-678	201	49	groups	group	NOUN
admet-678	201	50	.	.	PUNCT
admet-678	202	1	it	it	PRON
admet-678	202	2	was	be	AUX
admet-678	202	3	also	also	ADV
admet-678	202	4	possible	possible	ADJ
admet-678	202	5	to	to	PART
admet-678	202	6	conclude	conclude	VERB
admet-678	202	7	that	that	SCONJ
admet-678	202	8	the	the	DET
admet-678	202	9	inhibitory	inhibitory	ADJ
admet-678	202	10	effect	effect	NOUN
admet-678	202	11	of	of	ADP
admet-678	202	12	the	the	DET
admet-678	202	13	disulfides	disulfide	NOUN
admet-678	202	14	depends	depend	VERB
admet-678	202	15	mainly	mainly	ADV
admet-678	202	16	on	on	ADP
admet-678	202	17	geometric	geometric	ADJ
admet-678	202	18	and	and	CCONJ
admet-678	202	19	electronic	electronic	ADJ
admet-678	202	20	factors	factor	NOUN
admet-678	202	21	.	.	PUNCT
admet-678	203	1	furthermore	furthermore	ADV
admet-678	203	2	,	,	PUNCT
admet-678	203	3	it	it	PRON
admet-678	203	4	was	be	AUX
admet-678	203	5	determined	determine	VERB
admet-678	203	6	that	that	SCONJ
admet-678	203	7	an	an	DET
admet-678	203	8	increase	increase	NOUN
admet-678	203	9	in	in	ADP
admet-678	203	10	the	the	DET
admet-678	203	11	molecular	molecular	ADJ
admet-678	203	12	polarity	polarity	NOUN
admet-678	203	13	exerts	exert	VERB
admet-678	203	14	a	a	DET
admet-678	203	15	negative	negative	ADJ
admet-678	203	16	effect	effect	NOUN
admet-678	203	17	on	on	ADP
admet-678	203	18	the	the	DET
admet-678	203	19	inhibitory	inhibitory	ADJ
admet-678	203	20	activity	activity	NOUN
admet-678	203	21	of	of	ADP
admet-678	203	22	the	the	DET
admet-678	203	23	tested	test	VERB
admet-678	203	24	compounds	compound	NOUN
admet-678	203	25	,	,	PUNCT
admet-678	203	26	which	which	PRON
admet-678	203	27	corresponds	correspond	VERB
admet-678	203	28	with	with	ADP
admet-678	203	29	previous	previous	ADJ
admet-678	203	30	studies	study	NOUN
admet-678	203	31	that	that	PRON
admet-678	203	32	indicate	indicate	VERB
admet-678	203	33	a	a	DET
admet-678	203	34	high	high	ADJ
admet-678	203	35	hydrophobicity	hydrophobicity	NOUN
admet-678	203	36	of	of	ADP
admet-678	203	37	the	the	DET
admet-678	203	38	enzyme	enzyme	NOUN
admet-678	203	39	active	active	ADJ
admet-678	203	40	site	site	NOUN
admet-678	203	41	.	.	PUNCT
admet-678	204	1	on	on	ADP
admet-678	204	2	the	the	DET
admet-678	204	3	other	other	ADJ
admet-678	204	4	side	side	NOUN
admet-678	204	5	,	,	PUNCT
admet-678	204	6	this	this	DET
admet-678	204	7	study	study	NOUN
admet-678	204	8	provides	provide	VERB
admet-678	204	9	evidence	evidence	NOUN
admet-678	204	10	of	of	ADP
admet-678	204	11	the	the	DET
admet-678	204	12	enormous	enormous	ADJ
admet-678	204	13	potential	potential	NOUN
admet-678	204	14	of	of	ADP
admet-678	204	15	whim	whim	PROPN
admet-678	204	16	descriptors	descriptor	NOUN
admet-678	204	17	for	for	ADP
admet-678	204	18	the	the	DET
admet-678	204	19	development	development	NOUN
admet-678	204	20	of	of	ADP
admet-678	204	21	qsar	qsar	NOUN
admet-678	204	22	models	model	NOUN
admet-678	204	23	.	.	PUNCT
admet-678	205	1	authors	author	NOUN
admet-678	205	2	contributions	contribution	VERB
admet-678	205	3	the	the	DET
admet-678	205	4	manuscript	manuscript	NOUN
admet-678	205	5	was	be	AUX
admet-678	205	6	written	write	VERB
admet-678	205	7	through	through	ADP
admet-678	205	8	contributions	contribution	NOUN
admet-678	205	9	of	of	ADP
admet-678	205	10	all	all	DET
admet-678	205	11	authors	author	NOUN
admet-678	205	12	.	.	PUNCT
admet-678	206	1	all	all	DET
admet-678	206	2	authors	author	NOUN
admet-678	206	3	have	have	AUX
admet-678	206	4	given	give	VERB
admet-678	206	5	approval	approval	NOUN
admet-678	206	6	to	to	ADP
admet-678	206	7	the	the	DET
admet-678	206	8	final	final	ADJ
admet-678	206	9	version	version	NOUN
admet-678	206	10	of	of	ADP
admet-678	206	11	the	the	DET
admet-678	206	12	manuscript	manuscript	NOUN
admet-678	206	13	.	.	PUNCT
admet-678	207	1	funding	funding	NOUN
admet-678	207	2	sources	source	NOUN
admet-678	207	3	the	the	DET
admet-678	207	4	authors	author	NOUN
admet-678	207	5	would	would	AUX
admet-678	207	6	like	like	VERB
admet-678	207	7	to	to	PART
admet-678	207	8	thank	thank	VERB
admet-678	207	9	the	the	DET
admet-678	207	10	financial	financial	ADJ
admet-678	207	11	support	support	NOUN
admet-678	207	12	of	of	ADP
admet-678	207	13	the	the	DET
admet-678	207	14	consejo	consejo	PROPN
admet-678	207	15	nacional	nacional	PROPN
admet-678	207	16	de	de	PROPN
admet-678	207	17	investigaciones	investigaciones	PROPN
admet-678	207	18	científica	científica	PROPN
admet-678	207	19	y	y	PROPN
admet-678	207	20	técnicas	técnicas	PROPN
admet-678	207	21	(	(	PUNCT
admet-678	207	22	conicet	conicet	PROPN
admet-678	207	23	)	)	PUNCT
admet-678	207	24	,	,	PUNCT
admet-678	207	25	the	the	DET
admet-678	207	26	agencia	agencia	PROPN
admet-678	207	27	nacional	nacional	PROPN
admet-678	207	28	de	de	PROPN
admet-678	207	29	promoción	promoción	PROPN
admet-678	207	30	científica	científica	PROPN
admet-678	207	31	y	y	PROPN
admet-678	207	32	tecnológica	tecnológica	PROPN
admet-678	207	33	(	(	PUNCT
admet-678	207	34	anpcyt	anpcyt	PROPN
admet-678	207	35	)	)	PUNCT
admet-678	207	36	,	,	PUNCT
admet-678	207	37	the	the	DET
admet-678	207	38	universidad	universidad	PROPN
admet-678	207	39	nacional	nacional	PROPN
admet-678	207	40	de	de	X
admet-678	207	41	cuyo	cuyo	PROPN
admet-678	207	42	,	,	PUNCT
admet-678	207	43	and	and	CCONJ
admet-678	207	44	the	the	DET
admet-678	207	45	universidad	universidad	PROPN
admet-678	207	46	nacional	nacional	PROPN
admet-678	207	47	de	de	PROPN
admet-678	207	48	san	san	PROPN
admet-678	207	49	luis	luis	PROPN
admet-678	207	50	.	.	PUNCT
admet-678	208	1	conflict	conflict	NOUN
admet-678	208	2	of	of	ADP
admet-678	208	3	interests	interest	NOUN
admet-678	208	4	:	:	PUNCT
admet-678	208	5	none	none	NOUN
admet-678	208	6	.	.	PUNCT
admet-678	209	1	references	reference	NOUN
admet-678	209	2	[	[	X
admet-678	209	3	1	1	NUM
admet-678	209	4	]	]	X
admet-678	209	5	a.b	a.b	PROPN
admet-678	209	6	.	.	PROPN
admet-678	209	7	camargo	camargo	PROPN
admet-678	209	8	,	,	PUNCT
admet-678	209	9	e.	e.	PROPN
admet-678	209	10	marchevsky	marchevsky	PROPN
admet-678	209	11	,	,	PUNCT
admet-678	209	12	j.m	j.m	PROPN
admet-678	209	13	.	.	PROPN
admet-678	209	14	luco	luco	PROPN
admet-678	209	15	.	.	PUNCT
admet-678	210	1	qsar	qsar	NOUN
admet-678	210	2	study	study	NOUN
admet-678	210	3	for	for	ADP
admet-678	210	4	the	the	DET
admet-678	210	5	soybean	soybean	NOUN
admet-678	210	6	15	15	NUM
admet-678	210	7	-	-	PUNCT
admet-678	210	8	lipoxygenase	lipoxygenase	NOUN
admet-678	210	9	inhibitory	inhibitory	ADJ
admet-678	210	10	activity	activity	NOUN
admet-678	210	11	of	of	ADP
admet-678	210	12	organosulfur	organosulfur	NOUN
admet-678	210	13	compounds	compound	NOUN
admet-678	210	14	derived	derive	VERB
admet-678	210	15	from	from	ADP
admet-678	210	16	the	the	DET
admet-678	210	17	essential	essential	ADJ
admet-678	210	18	oil	oil	NOUN
admet-678	210	19	of	of	ADP
admet-678	210	20	garlic	garlic	NOUN
admet-678	210	21	.	.	PUNCT
admet-678	211	1	j.	j.	PROPN
admet-678	211	2	agric	agric	PROPN
admet-678	211	3	.	.	PUNCT
admet-678	212	1	food	food	NOUN
admet-678	212	2	chem	chem	NOUN
admet-678	212	3	.	.	PUNCT
admet-678	213	1	55	55	NUM
admet-678	213	2	(	(	PUNCT
admet-678	213	3	2007	2007	NUM
admet-678	213	4	)	)	PUNCT
admet-678	213	5	3096–103	3096–103	NOUN
admet-678	213	6	.	.	PUNCT
admet-678	214	1	[	[	X
admet-678	214	2	2	2	NUM
admet-678	214	3	]	]	X
admet-678	214	4	m.j	m.j	PROPN
admet-678	214	5	.	.	PROPN
admet-678	214	6	coon	coon	PROPN
admet-678	214	7	.	.	PUNCT
admet-678	215	1	multiple	multiple	ADJ
admet-678	215	2	oxidants	oxidant	NOUN
admet-678	215	3	and	and	CCONJ
admet-678	215	4	multiple	multiple	ADJ
admet-678	215	5	mechanisms	mechanism	NOUN
admet-678	215	6	in	in	ADP
admet-678	215	7	cytochrome	cytochrome	ADJ
admet-678	215	8	p450	p450	PROPN
admet-678	215	9	catalysis	catalysis	NOUN
admet-678	215	10	.	.	PUNCT
admet-678	216	1	biochem	biochem	PROPN
admet-678	216	2	.	.	PUNCT
admet-678	217	1	biophys	biophy	NOUN
admet-678	217	2	.	.	PUNCT
admet-678	218	1	res	re	NOUN
admet-678	218	2	.	.	PUNCT
admet-678	219	1	commun	commun	PROPN
admet-678	219	2	.	.	PUNCT
admet-678	220	1	312	312	NUM
admet-678	220	2	(	(	PUNCT
admet-678	220	3	2003	2003	NUM
admet-678	220	4	)	)	PUNCT
admet-678	221	1	163–168	163–168	NUM
admet-678	221	2	.	.	PUNCT
admet-678	222	1	[	[	X
admet-678	222	2	3	3	X
admet-678	222	3	]	]	X
admet-678	222	4	p.b	p.b	PROPN
admet-678	222	5	.	.	PROPN
admet-678	222	6	danielson	danielson	PROPN
admet-678	222	7	.	.	PUNCT
admet-678	223	1	the	the	DET
admet-678	223	2	cytochrome	cytochrome	NOUN
admet-678	223	3	p450	p450	NUM
admet-678	223	4	superfamily	superfamily	NOUN
admet-678	223	5	:	:	PUNCT
admet-678	223	6	biochemistry	biochemistry	NOUN
admet-678	223	7	,	,	PUNCT
admet-678	223	8	evolution	evolution	NOUN
admet-678	223	9	and	and	CCONJ
admet-678	223	10	drug	drug	NOUN
admet-678	223	11	metabolism	metabolism	NOUN
admet-678	223	12	in	in	ADP
admet-678	223	13	humans	human	NOUN
admet-678	223	14	.	.	PUNCT
admet-678	224	1	curr	curr	PROPN
admet-678	224	2	.	.	PUNCT
admet-678	224	3	drug	drug	PROPN
admet-678	224	4	metab	metab	NOUN
admet-678	224	5	.	.	PUNCT
admet-678	225	1	3	3	NUM
admet-678	225	2	(	(	PUNCT
admet-678	225	3	2002	2002	NUM
admet-678	225	4	)	)	PUNCT
admet-678	226	1	561–597	561–597	NUM
admet-678	226	2	.	.	PUNCT
admet-678	227	1	[	[	X
admet-678	227	2	4	4	NUM
admet-678	227	3	]	]	X
admet-678	227	4	l.	l.	PROPN
admet-678	227	5	eriksson	eriksson	PROPN
admet-678	227	6	,	,	PUNCT
admet-678	227	7	e.	e.	PROPN
admet-678	227	8	johansson	johansson	PROPN
admet-678	227	9	,	,	PUNCT
admet-678	227	10	m.	m.	NOUN
admet-678	227	11	miiller	miiller	NOUN
admet-678	227	12	,	,	PUNCT
admet-678	227	13	s.	s.	PROPN
admet-678	227	14	wold	wold	PROPN
admet-678	227	15	.	.	PUNCT
admet-678	228	1	cluster	cluster	NOUN
admet-678	228	2	-	-	PUNCT
admet-678	228	3	based	base	VERB
admet-678	228	4	design	design	NOUN
admet-678	228	5	in	in	ADP
admet-678	228	6	environmental	environmental	ADJ
admet-678	228	7	qsar	qsar	NOUN
admet-678	228	8	.	.	PUNCT
admet-678	229	1	quant	quant	NOUN
admet-678	229	2	.	.	PUNCT
admet-678	229	3	struct	struct	NOUN
admet-678	229	4	.	.	PUNCT
admet-678	230	1	relationships	relationship	NOUN
admet-678	230	2	.	.	PUNCT
admet-678	231	1	16	16	NUM
admet-678	231	2	(	(	PUNCT
admet-678	231	3	1997	1997	NUM
admet-678	231	4	)	)	PUNCT
admet-678	232	1	383–390	383–390	NUM
admet-678	232	2	.	.	PUNCT
admet-678	233	1	[	[	X
admet-678	233	2	5	5	NUM
admet-678	233	3	]	]	X
admet-678	233	4	k.-i	k.-i	PROPN
admet-678	233	5	.	.	PROPN
admet-678	233	6	fujita	fujita	PROPN
admet-678	233	7	,	,	PUNCT
admet-678	233	8	t.	t.	PROPN
admet-678	233	9	kamataki	kamataki	NOUN
admet-678	233	10	.	.	PUNCT
admet-678	234	1	screening	screen	VERB
admet-678	234	2	of	of	ADP
admet-678	234	3	organosulfur	organosulfur	NOUN
admet-678	234	4	compounds	compound	NOUN
admet-678	234	5	as	as	ADP
admet-678	234	6	inhibitors	inhibitor	NOUN
admet-678	234	7	of	of	ADP
admet-678	234	8	human	human	ADJ
admet-678	234	9	cyp2a6	cyp2a6	PROPN
admet-678	234	10	.	.	PUNCT
admet-678	235	1	drug	drug	NOUN
admet-678	235	2	metab	metab	NOUN
admet-678	235	3	.	.	PUNCT
admet-678	236	1	dispos	dispos	PROPN
admet-678	236	2	.	.	PUNCT
admet-678	237	1	29	29	NUM
admet-678	237	2	(	(	PUNCT
admet-678	237	3	2001	2001	NUM
admet-678	237	4	)	)	PUNCT
admet-678	238	1	983–989	983–989	NUM
admet-678	238	2	.	.	PUNCT
admet-678	239	1	[	[	X
admet-678	239	2	6	6	NUM
admet-678	239	3	]	]	PUNCT
admet-678	239	4	a.	a.	NOUN
admet-678	239	5	le	le	X
admet-678	239	6	gal	gal	PROPN
admet-678	239	7	,	,	PUNCT
admet-678	239	8	y.	y.	PROPN
admet-678	239	9	dréano	dréano	PROPN
admet-678	239	10	,	,	PUNCT
admet-678	239	11	d.	d.	PROPN
admet-678	239	12	lucas	lucas	PROPN
admet-678	239	13	,	,	PUNCT
admet-678	239	14	f.	f.	PROPN
admet-678	239	15	berthou	berthou	PROPN
admet-678	239	16	.	.	PUNCT
admet-678	240	1	diversity	diversity	NOUN
admet-678	240	2	of	of	ADP
admet-678	240	3	selective	selective	ADJ
admet-678	240	4	environmental	environmental	ADJ
admet-678	240	5	substrates	substrate	NOUN
admet-678	240	6	for	for	ADP
admet-678	240	7	human	human	ADJ
admet-678	240	8	cytochrome	cytochrome	NOUN
admet-678	240	9	p450	p450	PROPN
admet-678	240	10	2a6	2a6	NUM
admet-678	240	11	:	:	PUNCT
admet-678	240	12	alkoxyethers	alkoxyether	NOUN
admet-678	240	13	,	,	PUNCT
admet-678	240	14	nicotine	nicotine	NOUN
admet-678	240	15	,	,	PUNCT
admet-678	240	16	coumarin	coumarin	NOUN
admet-678	240	17	,	,	PUNCT
admet-678	240	18	n	n	CCONJ
admet-678	240	19	-	-	PUNCT
admet-678	240	20	nitrosodiethylamine	nitrosodiethylamine	NOUN
admet-678	240	21	,	,	PUNCT
admet-678	240	22	and	and	CCONJ
admet-678	240	23	nnitrosobenzylmethylamine	nnitrosobenzylmethylamine	PROPN
admet-678	240	24	.	.	PUNCT
admet-678	241	1	toxicol	toxicol	PROPN
admet-678	241	2	.	.	PUNCT
admet-678	242	1	lett	lett	PROPN
admet-678	242	2	.	.	PUNCT
admet-678	243	1	144	144	NUM
admet-678	243	2	(	(	PUNCT
admet-678	243	3	2003	2003	NUM
admet-678	243	4	)	)	PUNCT
admet-678	244	1	77–91	77–91	NUM
admet-678	244	2	.	.	PUNCT
admet-678	245	1	admet	admet	PROPN
admet-678	245	2	&	&	CCONJ
admet-678	245	3	dmpk	dmpk	PROPN
admet-678	245	4	7(3	7(3	NUM
admet-678	245	5	)	)	PUNCT
admet-678	245	6	(	(	PUNCT
admet-678	245	7	2019	2019	NUM
admet-678	245	8	)	)	PUNCT
admet-678	245	9	196	196	NUM
admet-678	245	10	-	-	SYM
admet-678	245	11	209	209	NUM
admet-678	245	12	organosulfur	organosulfur	NOUN
admet-678	245	13	–	–	PUNCT
admet-678	245	14	cyp2a6	cyp2a6	NOUN
admet-678	245	15	qsar	qsar	NOUN
admet-678	245	16	study	study	NOUN
admet-678	245	17	doi	doi	NOUN
admet-678	245	18	:	:	PUNCT
admet-678	245	19	10.5599	10.5599	NUM
admet-678	245	20	/	/	SYM
admet-678	245	21	admet.678	admet.678	NOUN
admet-678	245	22	209	209	NUM
admet-678	246	1	[	[	X
admet-678	246	2	7	7	NUM
admet-678	246	3	]	]	X
admet-678	246	4	m.b	m.b	PROPN
admet-678	246	5	.	.	PROPN
admet-678	246	6	genter	genter	PROPN
admet-678	246	7	,	,	PUNCT
admet-678	246	8	h.	h.	PROPN
admet-678	246	9	liang	liang	PROPN
admet-678	246	10	,	,	PUNCT
admet-678	246	11	j.	j.	PROPN
admet-678	246	12	gu	gu	PROPN
admet-678	246	13	,	,	PUNCT
admet-678	246	14	x.	x.	PROPN
admet-678	246	15	ding	ding	PROPN
admet-678	246	16	,	,	PUNCT
admet-678	246	17	m.	m.	NOUN
admet-678	246	18	negishi	negishi	PROPN
admet-678	246	19	,	,	PUNCT
admet-678	246	20	r.a	r.a	PROPN
admet-678	246	21	.	.	PROPN
admet-678	246	22	mckinnon	mckinnon	PROPN
admet-678	246	23	,	,	PUNCT
admet-678	246	24	et	et	PROPN
admet-678	246	25	al	al	PROPN
admet-678	246	26	.	.	PROPN
admet-678	246	27	,	,	PUNCT
admet-678	246	28	role	role	NOUN
admet-678	246	29	of	of	ADP
admet-678	246	30	cyp2a5	cyp2a5	PROPN
admet-678	246	31	and	and	CCONJ
admet-678	246	32	2g1	2g1	NUM
admet-678	246	33	in	in	ADP
admet-678	246	34	acetaminophen	acetaminophen	NOUN
admet-678	246	35	metabolism	metabolism	NOUN
admet-678	246	36	and	and	CCONJ
admet-678	246	37	toxicity	toxicity	NOUN
admet-678	246	38	in	in	ADP
admet-678	246	39	the	the	DET
admet-678	246	40	olfactory	olfactory	ADJ
admet-678	246	41	mucosa	mucosa	NOUN
admet-678	246	42	of	of	ADP
admet-678	246	43	the	the	DET
admet-678	246	44	cyp1a2	cyp1a2	PROPN
admet-678	246	45	(	(	PUNCT
admet-678	246	46	-/	-/	PROPN
admet-678	246	47	)	)	PUNCT
admet-678	246	48	mouse	mouse	NOUN
admet-678	246	49	.	.	PUNCT
admet-678	247	1	biochem	biochem	PROPN
admet-678	247	2	.	.	PUNCT
admet-678	248	1	pharmacol	pharmacol	PROPN
admet-678	248	2	.	.	PUNCT
admet-678	249	1	55	55	NUM
admet-678	249	2	(	(	PUNCT
admet-678	249	3	1998	1998	NUM
admet-678	249	4	)	)	PUNCT
admet-678	249	5	1819–1826	1819–1826	NUM
admet-678	249	6	.	.	PUNCT
admet-678	250	1	[	[	X
admet-678	250	2	8	8	NUM
admet-678	250	3	]	]	X
admet-678	250	4	f.p	f.p	PROPN
admet-678	250	5	.	.	PROPN
admet-678	250	6	guengerich	guengerich	NOUN
admet-678	250	7	.	.	PUNCT
admet-678	251	1	common	common	ADJ
admet-678	251	2	and	and	CCONJ
admet-678	251	3	uncommon	uncommon	ADJ
admet-678	251	4	cytochrome	cytochrome	NOUN
admet-678	251	5	p450	p450	PROPN
admet-678	251	6	reactions	reaction	NOUN
admet-678	251	7	related	relate	VERB
admet-678	251	8	to	to	ADP
admet-678	251	9	metabolism	metabolism	NOUN
admet-678	251	10	and	and	CCONJ
admet-678	251	11	chemical	chemical	NOUN
admet-678	251	12	toxicity	toxicity	NOUN
admet-678	251	13	.	.	PUNCT
admet-678	252	1	chem	chem	NOUN
admet-678	252	2	.	.	PUNCT
admet-678	253	1	res	re	NOUN
admet-678	253	2	.	.	PUNCT
admet-678	254	1	toxicol	toxicol	PROPN
admet-678	254	2	.	.	PUNCT
admet-678	255	1	14	14	NUM
admet-678	255	2	(	(	PUNCT
admet-678	255	3	2001	2001	NUM
admet-678	255	4	)	)	PUNCT
admet-678	256	1	611–650	611–650	NUM
admet-678	256	2	.	.	PUNCT
admet-678	257	1	[	[	X
admet-678	257	2	9	9	NUM
admet-678	257	3	]	]	X
admet-678	257	4	f.p	f.p	PROPN
admet-678	257	5	.	.	PROPN
admet-678	257	6	guengerich	guengerich	NOUN
admet-678	257	7	.	.	PUNCT
admet-678	258	1	mechanisms	mechanism	NOUN
admet-678	258	2	of	of	ADP
admet-678	258	3	cytochrome	cytochrome	ADJ
admet-678	258	4	p450	p450	NUM
admet-678	258	5	substrate	substrate	NOUN
admet-678	258	6	oxidation	oxidation	NOUN
admet-678	258	7	:	:	PUNCT
admet-678	258	8	minireview	minireview	NOUN
admet-678	258	9	.	.	PUNCT
admet-678	259	1	j.	j.	PROPN
admet-678	259	2	biochem	biochem	PROPN
admet-678	259	3	.	.	PUNCT
admet-678	260	1	mol	mol	PROPN
admet-678	260	2	.	.	PUNCT
admet-678	261	1	toxicol	toxicol	PROPN
admet-678	261	2	.	.	PUNCT
admet-678	262	1	21	21	NUM
admet-678	262	2	(	(	PUNCT
admet-678	262	3	2007	2007	NUM
admet-678	262	4	)	)	PUNCT
admet-678	263	1	163–168	163–168	NUM
admet-678	263	2	.	.	PUNCT
admet-678	264	1	[	[	X
admet-678	264	2	10	10	NUM
admet-678	264	3	]	]	X
admet-678	264	4	d.r	d.r	PROPN
admet-678	264	5	.	.	PROPN
admet-678	264	6	nelson	nelson	PROPN
admet-678	264	7	,	,	PUNCT
admet-678	264	8	l.	l.	PROPN
admet-678	264	9	koymans	koymans	PROPN
admet-678	264	10	,	,	PUNCT
admet-678	264	11	t.	t.	PROPN
admet-678	264	12	kamataki	kamataki	PROPN
admet-678	264	13	,	,	PUNCT
admet-678	264	14	j.	j.	PROPN
admet-678	264	15	stegeman	stegeman	PROPN
admet-678	264	16	,	,	PUNCT
admet-678	264	17	r.	r.	PROPN
admet-678	264	18	feyereisen	feyereisen	PROPN
admet-678	264	19	,	,	PUNCT
admet-678	264	20	d.	d.	PROPN
admet-678	264	21	waxman	waxman	PROPN
admet-678	264	22	,	,	PUNCT
admet-678	264	23	et	et	PROPN
admet-678	264	24	al	al	PROPN
admet-678	264	25	.	.	PUNCT
admet-678	265	1	p450	p450	NUM
admet-678	265	2	superfamily	superfamily	NOUN
admet-678	265	3	:	:	PUNCT
admet-678	265	4	update	update	NOUN
admet-678	265	5	on	on	ADP
admet-678	265	6	new	new	ADJ
admet-678	265	7	sequences	sequence	NOUN
admet-678	265	8	,	,	PUNCT
admet-678	265	9	gene	gene	NOUN
admet-678	265	10	mapping	mapping	NOUN
admet-678	265	11	,	,	PUNCT
admet-678	265	12	accession	accession	NOUN
admet-678	265	13	numbers	number	NOUN
admet-678	265	14	and	and	CCONJ
admet-678	265	15	nomenclature	nomenclature	NOUN
admet-678	265	16	.	.	PUNCT
admet-678	266	1	pharmacogenetics	pharmacogenetic	NOUN
admet-678	266	2	6	6	NUM
admet-678	266	3	(	(	PUNCT
admet-678	266	4	1996	1996	NUM
admet-678	266	5	)	)	PUNCT
admet-678	266	6	1–42	1–42	PROPN
admet-678	266	7	.	.	PUNCT
admet-678	267	1	[	[	X
admet-678	267	2	11	11	NUM
admet-678	267	3	]	]	PUNCT
admet-678	267	4	m.	m.	NOUN
admet-678	267	5	rahnasto	rahnasto	NOUN
admet-678	267	6	,	,	PUNCT
admet-678	267	7	h.	h.	PROPN
admet-678	267	8	raunio	raunio	PROPN
admet-678	267	9	,	,	PUNCT
admet-678	267	10	a.	a.	NOUN
admet-678	267	11	poso	poso	PROPN
admet-678	267	12	,	,	PUNCT
admet-678	267	13	c.	c.	PROPN
admet-678	267	14	wittekindt	wittekindt	PROPN
admet-678	267	15	,	,	PUNCT
admet-678	267	16	r.o	r.o	PROPN
admet-678	267	17	.	.	PROPN
admet-678	267	18	juvonen	juvonen	PROPN
admet-678	267	19	.	.	PUNCT
admet-678	268	1	quantitative	quantitative	ADJ
admet-678	268	2	structure	structure	NOUN
admet-678	268	3	activity	activity	NOUN
admet-678	268	4	relationship	relationship	NOUN
admet-678	268	5	analysis	analysis	NOUN
admet-678	268	6	of	of	ADP
admet-678	268	7	inhibitors	inhibitor	NOUN
admet-678	268	8	of	of	ADP
admet-678	268	9	the	the	DET
admet-678	268	10	nicotine	nicotine	NOUN
admet-678	268	11	metabolizing	metabolize	VERB
admet-678	268	12	cyp2a6	cyp2a6	NOUN
admet-678	268	13	enzyme	enzyme	NOUN
admet-678	268	14	.	.	PUNCT
admet-678	269	1	j.	j.	PROPN
admet-678	269	2	med	med	PROPN
admet-678	269	3	.	.	PROPN
admet-678	269	4	chem	chem	PROPN
admet-678	269	5	.	.	PUNCT
admet-678	270	1	48	48	NUM
admet-678	270	2	(	(	PUNCT
admet-678	270	3	2005	2005	NUM
admet-678	270	4	)	)	PUNCT
admet-678	271	1	440–449	440–449	NUM
admet-678	271	2	.	.	PUNCT
admet-678	272	1	[	[	X
admet-678	272	2	12	12	NUM
admet-678	272	3	]	]	PUNCT
admet-678	272	4	m.	m.	NOUN
admet-678	272	5	rahnasto	rahnasto	NOUN
admet-678	272	6	,	,	PUNCT
admet-678	272	7	c.	c.	PROPN
admet-678	272	8	wittekindt	wittekindt	PROPN
admet-678	272	9	,	,	PUNCT
admet-678	272	10	r.o	r.o	PROPN
admet-678	272	11	.	.	PROPN
admet-678	272	12	juvonen	juvonen	PROPN
admet-678	272	13	,	,	PUNCT
admet-678	272	14	m.	m.	NOUN
admet-678	272	15	turpeinen	turpeinen	PROPN
admet-678	272	16	,	,	PUNCT
admet-678	272	17	a.	a.	NOUN
admet-678	272	18	petsalo	petsalo	PROPN
admet-678	272	19	,	,	PUNCT
admet-678	272	20	o.	o.	PROPN
admet-678	272	21	pelkonen	pelkonen	PROPN
admet-678	272	22	,	,	PUNCT
admet-678	272	23	et	et	PROPN
admet-678	272	24	al	al	PROPN
admet-678	272	25	.	.	PUNCT
admet-678	272	26	identification	identification	NOUN
admet-678	272	27	of	of	ADP
admet-678	272	28	inhibitors	inhibitor	NOUN
admet-678	272	29	of	of	ADP
admet-678	272	30	the	the	DET
admet-678	272	31	nicotine	nicotine	NOUN
admet-678	272	32	metabolising	metabolise	VERB
admet-678	272	33	cyp2a6	cyp2a6	NOUN
admet-678	272	34	enzyme	enzyme	NOUN
admet-678	272	35	--	--	PUNCT
admet-678	272	36	an	an	PRON
admet-678	272	37	in	in	ADP
admet-678	272	38	silico	silico	NOUN
admet-678	272	39	approach	approach	NOUN
admet-678	272	40	.	.	PUNCT
admet-678	273	1	pharmacogenomics	pharmacogenomic	NOUN
admet-678	273	2	j.	j.	PROPN
admet-678	273	3	8	8	PROPN
admet-678	273	4	(	(	PUNCT
admet-678	273	5	2008	2008	NUM
admet-678	273	6	)	)	PUNCT
admet-678	273	7	328–38	328–38	NUM
admet-678	273	8	.	.	PUNCT
admet-678	274	1	[	[	X
admet-678	274	2	13	13	NUM
admet-678	274	3	]	]	X
admet-678	274	4	m.k	m.k	PROPN
admet-678	274	5	.	.	PROPN
admet-678	274	6	rahnasto	rahnasto	PROPN
admet-678	274	7	,	,	PUNCT
admet-678	274	8	h.	h.	PROPN
admet-678	274	9	a	a	DET
admet-678	274	10	raunio	raunio	PROPN
admet-678	274	11	,	,	PUNCT
admet-678	274	12	c.	c.	PROPN
admet-678	274	13	wittekindt	wittekindt	PROPN
admet-678	274	14	,	,	PUNCT
admet-678	274	15	k.	k.	PROPN
admet-678	274	16	a	a	DET
admet-678	274	17	salminen	salminen	NOUN
admet-678	274	18	,	,	PUNCT
admet-678	274	19	j.	j.	PROPN
admet-678	274	20	leppänen	leppänen	PROPN
admet-678	274	21	,	,	PUNCT
admet-678	274	22	r.o	r.o	PROPN
admet-678	274	23	.	.	PROPN
admet-678	274	24	juvonen	juvonen	PROPN
admet-678	274	25	,	,	PUNCT
admet-678	274	26	et	et	PROPN
admet-678	274	27	al	al	PROPN
admet-678	274	28	.	.	PUNCT
admet-678	274	29	identification	identification	NOUN
admet-678	274	30	of	of	ADP
admet-678	274	31	novel	novel	ADJ
admet-678	274	32	cyp2a6	cyp2a6	NOUN
admet-678	274	33	inhibitors	inhibitor	NOUN
admet-678	274	34	by	by	ADP
admet-678	274	35	virtual	virtual	ADJ
admet-678	274	36	screening	screening	NOUN
admet-678	274	37	.	.	PUNCT
admet-678	275	1	bioorg	bioorg	PROPN
admet-678	275	2	.	.	PUNCT
admet-678	276	1	med	med	PROPN
admet-678	276	2	.	.	PROPN
admet-678	276	3	chem	chem	PROPN
admet-678	276	4	.	.	PUNCT
admet-678	277	1	19	19	NUM
admet-678	277	2	(	(	PUNCT
admet-678	277	3	2011	2011	NUM
admet-678	277	4	)	)	PUNCT
admet-678	277	5	7186	7186	NUM
admet-678	277	6	–	–	PUNCT
admet-678	277	7	93	93	NUM
admet-678	277	8	.	.	PUNCT
admet-678	278	1	[	[	X
admet-678	278	2	14	14	NUM
admet-678	278	3	]	]	X
admet-678	278	4	h.	h.	PROPN
admet-678	278	5	raunio	raunio	PROPN
admet-678	278	6	,	,	PUNCT
admet-678	278	7	m.	m.	NOUN
admet-678	278	8	rahnasto	rahnasto	NOUN
admet-678	278	9	-	-	PUNCT
admet-678	278	10	rilla	rilla	NOUN
admet-678	278	11	.	.	PUNCT
admet-678	279	1	cyp2a6	cyp2a6	NOUN
admet-678	279	2	:	:	PUNCT
admet-678	280	1	genetics	genetic	NOUN
admet-678	280	2	,	,	PUNCT
admet-678	280	3	structure	structure	NOUN
admet-678	280	4	,	,	PUNCT
admet-678	280	5	regulation	regulation	NOUN
admet-678	280	6	,	,	PUNCT
admet-678	280	7	and	and	CCONJ
admet-678	280	8	function	function	NOUN
admet-678	280	9	.	.	PUNCT
admet-678	281	1	drug	drug	NOUN
admet-678	281	2	metabol	metabol	PROPN
admet-678	281	3	.	.	PUNCT
admet-678	282	1	drug	drug	NOUN
admet-678	282	2	interact	interact	PROPN
admet-678	282	3	.	.	PUNCT
admet-678	283	1	27	27	NUM
admet-678	283	2	(	(	PUNCT
admet-678	283	3	2012	2012	NUM
admet-678	283	4	)	)	PUNCT
admet-678	283	5	73–88	73–88	NUM
admet-678	283	6	.	.	PUNCT
admet-678	284	1	[	[	X
admet-678	284	2	15	15	NUM
admet-678	284	3	]	]	X
admet-678	284	4	k.	k.	PROPN
admet-678	284	5	roy	roy	PROPN
admet-678	284	6	,	,	PUNCT
admet-678	284	7	p.p	p.p	PROPN
admet-678	284	8	.	.	PROPN
admet-678	284	9	roy	roy	PROPN
admet-678	284	10	.	.	PROPN
admet-678	284	11	exploring	explore	VERB
admet-678	284	12	qsar	qsar	NOUN
admet-678	284	13	and	and	CCONJ
admet-678	284	14	qaar	qaar	NOUN
admet-678	284	15	for	for	ADP
admet-678	284	16	inhibitors	inhibitor	NOUN
admet-678	284	17	of	of	ADP
admet-678	284	18	cytochrome	cytochrome	ADJ
admet-678	284	19	p450	p450	PROPN
admet-678	284	20	2a6	2a6	NUM
admet-678	284	21	and	and	CCONJ
admet-678	284	22	2a5	2a5	NUM
admet-678	284	23	enzymes	enzyme	NOUN
admet-678	284	24	using	use	VERB
admet-678	284	25	gfa	gfa	PROPN
admet-678	284	26	and	and	CCONJ
admet-678	284	27	g	g	NOUN
admet-678	284	28	/	/	SYM
admet-678	284	29	pls	pls	NOUN
admet-678	284	30	techniques	technique	NOUN
admet-678	284	31	.	.	PUNCT
admet-678	285	1	eur	eur	PROPN
admet-678	285	2	.	.	PUNCT
admet-678	286	1	j.	j.	PROPN
admet-678	286	2	med	med	PROPN
admet-678	286	3	.	.	PROPN
admet-678	286	4	chem	chem	PROPN
admet-678	286	5	.	.	PUNCT
admet-678	287	1	44	44	NUM
admet-678	287	2	(	(	PUNCT
admet-678	287	3	2009	2009	NUM
admet-678	287	4	)	)	PUNCT
admet-678	287	5	1941–51	1941–51	NUM
admet-678	287	6	.	.	PUNCT
admet-678	288	1	[	[	X
admet-678	288	2	16	16	NUM
admet-678	288	3	]	]	PUNCT
admet-678	288	4	s.	s.	PROPN
admet-678	288	5	takahashi	takahashi	PROPN
admet-678	288	6	,	,	PUNCT
admet-678	288	7	k.	k.	PROPN
admet-678	288	8	hakoi	hakoi	PROPN
admet-678	288	9	,	,	PUNCT
admet-678	288	10	h.	h.	PROPN
admet-678	288	11	yada	yada	PROPN
admet-678	288	12	.	.	PUNCT
admet-678	289	1	enhancing	enhance	VERB
admet-678	289	2	effects	effect	NOUN
admet-678	289	3	of	of	ADP
admet-678	289	4	diallyl	diallyl	NOUN
admet-678	289	5	sulfide	sulfide	NOUN
admet-678	289	6	on	on	ADP
admet-678	289	7	hepatocarcinogenesis	hepatocarcinogenesis	NOUN
admet-678	289	8	and	and	CCONJ
admet-678	289	9	inhibitory	inhibitory	ADJ
admet-678	289	10	actions	action	NOUN
admet-678	289	11	of	of	ADP
admet-678	289	12	the	the	DET
admet-678	289	13	related	relate	VERB
admet-678	289	14	diallyl	diallyl	NOUN
admet-678	289	15	disulfide	disulfide	NOUN
admet-678	289	16	on	on	ADP
admet-678	289	17	colon	colon	NOUN
admet-678	289	18	and	and	CCONJ
admet-678	289	19	renal	renal	ADJ
admet-678	289	20	carcinogenesis	carcinogenesis	NOUN
admet-678	289	21	in	in	ADP
admet-678	289	22	rats	rat	NOUN
admet-678	289	23	.	.	PUNCT
admet-678	290	1	carcinogenesis	carcinogenesis	NOUN
admet-678	290	2	.	.	PUNCT
admet-678	291	1	13	13	NUM
admet-678	291	2	(	(	PUNCT
admet-678	291	3	1992	1992	NUM
admet-678	291	4	)	)	PUNCT
admet-678	291	5	1513–1518	1513–1518	NUM
admet-678	291	6	.	.	PUNCT
admet-678	292	1	[	[	X
admet-678	292	2	17	17	NUM
admet-678	292	3	]	]	X
admet-678	292	4	y.	y.	PROPN
admet-678	292	5	wang	wang	PROPN
admet-678	292	6	,	,	PUNCT
admet-678	292	7	y.	y.	PROPN
admet-678	292	8	li	li	PROPN
admet-678	292	9	,	,	PUNCT
admet-678	292	10	b.	b.	PROPN
admet-678	292	11	wang	wang	PROPN
admet-678	292	12	.	.	PUNCT
admet-678	293	1	an	an	PRON
admet-678	293	2	in	in	ADP
admet-678	293	3	silico	silico	NOUN
admet-678	293	4	method	method	NOUN
admet-678	293	5	for	for	ADP
admet-678	293	6	screening	screen	VERB
admet-678	293	7	nicotine	nicotine	NOUN
admet-678	293	8	derivatives	derivative	NOUN
admet-678	293	9	as	as	ADP
admet-678	293	10	cytochrome	cytochrome	ADJ
admet-678	293	11	p450	p450	PROPN
admet-678	293	12	2a6	2a6	NUM
admet-678	293	13	selective	selective	ADJ
admet-678	293	14	inhibitors	inhibitor	NOUN
admet-678	293	15	based	base	VERB
admet-678	293	16	on	on	ADP
admet-678	293	17	kernel	kernel	PROPN
admet-678	293	18	partial	partial	ADJ
admet-678	293	19	least	least	ADJ
admet-678	293	20	squares	square	NOUN
admet-678	293	21	.	.	PUNCT
admet-678	294	1	int	int	NOUN
admet-678	294	2	.	.	PUNCT
admet-678	295	1	j.	j.	PROPN
admet-678	295	2	mol	mol	PROPN
admet-678	295	3	.	.	PUNCT
admet-678	296	1	sci	sci	PROPN
admet-678	296	2	.	.	PROPN
admet-678	296	3	8	8	NUM
admet-678	296	4	(	(	PUNCT
admet-678	296	5	2007	2007	NUM
admet-678	296	6	)	)	PUNCT
admet-678	296	7	166–179	166–179	NUM
admet-678	296	8	.	.	PUNCT
admet-678	297	1	[	[	X
admet-678	297	2	18	18	NUM
admet-678	297	3	]	]	X
admet-678	297	4	h.	h.	PROPN
admet-678	297	5	van	van	PROPN
admet-678	297	6	de	de	PROPN
admet-678	297	7	waterbeemd	waterbeemd	PROPN
admet-678	297	8	.	.	PUNCT
admet-678	298	1	chemometric	chemometric	ADJ
admet-678	298	2	methods	method	NOUN
admet-678	298	3	in	in	ADP
admet-678	298	4	molecular	molecular	ADJ
admet-678	298	5	design	design	NOUN
admet-678	298	6	.	.	PUNCT
admet-678	299	1	weinheim	weinheim	PROPN
admet-678	299	2	,	,	PUNCT
admet-678	299	3	frg	frg	PROPN
admet-678	299	4	,	,	PUNCT
admet-678	299	5	1995	1995	NUM
admet-678	299	6	.	.	PUNCT
admet-678	300	1	[	[	X
admet-678	300	2	19	19	NUM
admet-678	300	3	]	]	X
admet-678	300	4	s.	s.	PROPN
admet-678	300	5	wold	wold	PROPN
admet-678	300	6	,	,	PUNCT
admet-678	300	7	m.	m.	NOUN
admet-678	300	8	sjostrom	sjostrom	PROPN
admet-678	300	9	,	,	PUNCT
admet-678	300	10	l.	l.	PROPN
admet-678	300	11	eriksson	eriksson	PROPN
admet-678	300	12	.	.	PUNCT
admet-678	301	1	pls	pls	NOUN
admet-678	301	2	-	-	PUNCT
admet-678	301	3	regression	regression	NOUN
admet-678	301	4	:	:	PUNCT
admet-678	301	5	a	a	DET
admet-678	301	6	basic	basic	ADJ
admet-678	301	7	tool	tool	NOUN
admet-678	301	8	of	of	ADP
admet-678	301	9	chemometrics	chemometric	NOUN
admet-678	301	10	.	.	PUNCT
admet-678	302	1	chemom	chemom	PROPN
admet-678	302	2	.	.	PUNCT
admet-678	303	1	intell	intell	PROPN
admet-678	303	2	.	.	PUNCT
admet-678	304	1	lab	lab	PROPN
admet-678	304	2	.	.	PUNCT
admet-678	305	1	syst	syst	PROPN
admet-678	305	2	.	.	PUNCT
admet-678	306	1	58	58	NUM
admet-678	306	2	(	(	PUNCT
admet-678	306	3	2001	2001	NUM
admet-678	306	4	)	)	PUNCT
admet-678	306	5	109–130	109–130	NUM
admet-678	306	6	.	.	PUNCT
admet-678	307	1	[	[	X
admet-678	307	2	20	20	NUM
admet-678	307	3	]	]	X
admet-678	307	4	y.	y.	PROPN
admet-678	307	5	yamaguchi	yamaguchi	PROPN
admet-678	307	6	,	,	PUNCT
admet-678	307	7	i.	i.	PROPN
admet-678	307	8	akimoto	akimoto	PROPN
admet-678	307	9	,	,	PUNCT
admet-678	307	10	k.	k.	PROPN
admet-678	307	11	motegi	motegi	PROPN
admet-678	307	12	,	,	PUNCT
admet-678	307	13	t.	t.	PROPN
admet-678	307	14	yoshimura	yoshimura	PROPN
admet-678	307	15	,	,	PUNCT
admet-678	307	16	k.	k.	PROPN
admet-678	307	17	wada	wada	PROPN
admet-678	307	18	,	,	PUNCT
admet-678	307	19	n.	n.	PROPN
admet-678	307	20	nishizono	nishizono	PROPN
admet-678	307	21	,	,	PUNCT
admet-678	307	22	et	et	PROPN
admet-678	307	23	al	al	PROPN
admet-678	307	24	.	.	PUNCT
admet-678	307	25	synthetic	synthetic	ADJ
admet-678	307	26	models	model	NOUN
admet-678	307	27	related	relate	VERB
admet-678	307	28	to	to	AUX
admet-678	307	29	methoxsalen	methoxsalen	ADJ
admet-678	307	30	and	and	CCONJ
admet-678	307	31	menthofuran	menthofuran	ADJ
admet-678	307	32	–	–	PUNCT
admet-678	307	33	cytochrome	cytochrome	NOUN
admet-678	307	34	p450	p450	PROPN
admet-678	307	35	(	(	PUNCT
admet-678	307	36	cyp	cyp	ADJ
admet-678	307	37	)	)	PUNCT
admet-678	307	38	2a6	2a6	NUM
admet-678	307	39	interactions	interaction	NOUN
admet-678	307	40	.	.	PUNCT
admet-678	308	1	benzofuran	benzofuran	NOUN
admet-678	308	2	and	and	CCONJ
admet-678	308	3	coumarin	coumarin	NOUN
admet-678	308	4	derivatives	derivative	NOUN
admet-678	308	5	as	as	ADP
admet-678	308	6	potent	potent	ADJ
admet-678	308	7	and	and	CCONJ
admet-678	308	8	selective	selective	ADJ
admet-678	308	9	inhibitors	inhibitor	NOUN
admet-678	308	10	of	of	ADP
admet-678	308	11	cyp2a6	cyp2a6	PROPN
admet-678	308	12	.	.	PUNCT
admet-678	309	1	chem	chem	PROPN
admet-678	309	2	pharm	pharm	PROPN
admet-678	309	3	bull	bull	PROPN
admet-678	309	4	(	(	PUNCT
admet-678	309	5	tokyo	tokyo	PROPN
admet-678	309	6	)	)	PUNCT
admet-678	309	7	61	61	NUM
admet-678	309	8	(	(	PUNCT
admet-678	309	9	2013	2013	NUM
admet-678	309	10	)	)	PUNCT
admet-678	309	11	997–1001	997–1001	NUM
admet-678	309	12	.	.	PUNCT
admet-678	310	1	[	[	X
admet-678	310	2	21	21	NUM
admet-678	310	3	]	]	X
admet-678	310	4	h.	h.	PROPN
admet-678	310	5	yamanaka	yamanaka	PROPN
admet-678	310	6	,	,	PUNCT
admet-678	310	7	m.	m.	NOUN
admet-678	310	8	nakajima	nakajima	PROPN
admet-678	310	9	,	,	PUNCT
admet-678	310	10	t.	t.	PROPN
admet-678	310	11	fukami	fukami	PROPN
admet-678	310	12	,	,	PUNCT
admet-678	310	13	h.	h.	PROPN
admet-678	310	14	sakai	sakai	PROPN
admet-678	310	15	,	,	PUNCT
admet-678	310	16	a.	a.	NOUN
admet-678	310	17	nakamura	nakamura	PROPN
admet-678	310	18	,	,	PUNCT
admet-678	310	19	m.	m.	NOUN
admet-678	310	20	katoh	katoh	PROPN
admet-678	310	21	,	,	PUNCT
admet-678	310	22	et	et	PROPN
admet-678	310	23	al	al	PROPN
admet-678	310	24	.	.	PUNCT
admet-678	311	1	cyp2a6	cyp2a6	PROPN
admet-678	311	2	and	and	CCONJ
admet-678	311	3	cyp2b6	cyp2b6	NOUN
admet-678	311	4	are	be	AUX
admet-678	311	5	involved	involve	VERB
admet-678	311	6	in	in	ADP
admet-678	311	7	nornicotine	nornicotine	ADJ
admet-678	311	8	formation	formation	NOUN
admet-678	311	9	from	from	ADP
admet-678	311	10	nicotine	nicotine	NOUN
admet-678	311	11	in	in	ADP
admet-678	311	12	humans	human	NOUN
admet-678	311	13	:	:	PUNCT
admet-678	311	14	interindividual	interindividual	ADJ
admet-678	311	15	differences	difference	NOUN
admet-678	311	16	in	in	ADP
admet-678	311	17	these	these	DET
admet-678	311	18	contributions	contribution	NOUN
admet-678	311	19	.	.	PUNCT
admet-678	312	1	drug	drug	NOUN
admet-678	312	2	metab	metab	NOUN
admet-678	312	3	.	.	PUNCT
admet-678	313	1	dispos	dispos	PROPN
admet-678	313	2	.	.	PUNCT
admet-678	314	1	33	33	NUM
admet-678	314	2	(	(	PUNCT
admet-678	314	3	2005	2005	NUM
admet-678	314	4	)	)	PUNCT
admet-678	314	5	1811–1818	1811–1818	NUM
admet-678	314	6	.	.	PUNCT
admet-678	315	1	[	[	X
admet-678	315	2	22	22	NUM
admet-678	315	3	]	]	X
admet-678	315	4	j.k	j.k	PROPN
admet-678	315	5	.	.	PROPN
admet-678	315	6	yano	yano	PROPN
admet-678	315	7	,	,	PUNCT
admet-678	315	8	t.t	t.t	PROPN
admet-678	315	9	.	.	PROPN
admet-678	315	10	denton	denton	PROPN
admet-678	315	11	,	,	PUNCT
admet-678	315	12	m.a	m.a	PROPN
admet-678	315	13	.	.	PROPN
admet-678	315	14	cerny	cerny	PROPN
admet-678	315	15	,	,	PUNCT
admet-678	315	16	x.	x.	PROPN
admet-678	315	17	zhang	zhang	PROPN
admet-678	315	18	,	,	PUNCT
admet-678	315	19	e.f	e.f	PROPN
admet-678	315	20	.	.	PROPN
admet-678	315	21	johnson	johnson	PROPN
admet-678	315	22	,	,	PUNCT
admet-678	315	23	j.r	j.r	PROPN
admet-678	315	24	.	.	PROPN
admet-678	315	25	cashman	cashman	PROPN
admet-678	315	26	.	.	PUNCT
admet-678	316	1	synthetic	synthetic	ADJ
admet-678	316	2	inhibitors	inhibitor	NOUN
admet-678	316	3	of	of	ADP
admet-678	316	4	cytochrome	cytochrome	NOUN
admet-678	316	5	p-450	p-450	NOUN
admet-678	316	6	2a6	2a6	NUM
admet-678	316	7	 	 	SPACE
admet-678	316	8	:	:	PUNCT
admet-678	316	9	inhibitory	inhibitory	ADJ
admet-678	316	10	activity	activity	NOUN
admet-678	316	11	,	,	PUNCT
admet-678	316	12	difference	difference	NOUN
admet-678	316	13	spectra	spectra	NOUN
admet-678	316	14	,	,	PUNCT
admet-678	316	15	mechanism	mechanism	NOUN
admet-678	316	16	of	of	ADP
admet-678	316	17	inhibition	inhibition	NOUN
admet-678	316	18	and	and	CCONJ
admet-678	316	19	protein	protein	NOUN
admet-678	316	20	cocrystallization	cocrystallization	NOUN
admet-678	316	21	.	.	PUNCT
admet-678	317	1	j.	j.	PROPN
admet-678	317	2	med	med	PROPN
admet-678	317	3	.	.	PROPN
admet-678	317	4	chem	chem	PROPN
admet-678	317	5	.	.	PUNCT
admet-678	318	1	49	49	NUM
admet-678	318	2	(	(	PUNCT
admet-678	318	3	2006	2006	NUM
admet-678	318	4	)	)	PUNCT
admet-678	318	5	6987–7001	6987–7001	NOUN
admet-678	318	6	.	.	PUNCT
admet-678	319	1	[	[	X
admet-678	319	2	23	23	NUM
admet-678	319	3	]	]	X
admet-678	319	4	u.m	u.m	PROPN
admet-678	319	5	.	.	PROPN
admet-678	319	6	zanger	zanger	NOUN
admet-678	319	7	,	,	PUNCT
admet-678	319	8	m.	m.	NOUN
admet-678	319	9	schwab	schwab	PROPN
admet-678	319	10	.	.	PUNCT
admet-678	320	1	cytochrome	cytochrome	VERB
admet-678	320	2	p450	p450	NUM
admet-678	320	3	enzymes	enzyme	NOUN
admet-678	320	4	in	in	ADP
admet-678	320	5	drug	drug	NOUN
admet-678	320	6	metabolism	metabolism	NOUN
admet-678	320	7	:	:	PUNCT
admet-678	320	8	regulation	regulation	NOUN
admet-678	320	9	of	of	ADP
admet-678	320	10	gene	gene	NOUN
admet-678	320	11	expression	expression	NOUN
admet-678	320	12	,	,	PUNCT
admet-678	320	13	enzyme	enzyme	NOUN
admet-678	320	14	activities	activity	NOUN
admet-678	320	15	,	,	PUNCT
admet-678	320	16	and	and	CCONJ
admet-678	320	17	impact	impact	NOUN
admet-678	320	18	of	of	ADP
admet-678	320	19	genetic	genetic	ADJ
admet-678	320	20	variation	variation	NOUN
admet-678	320	21	.	.	PUNCT
admet-678	321	1	pharmacol	pharmacol	PROPN
admet-678	321	2	.	.	PUNCT
admet-678	322	1	ther	ther	PROPN
admet-678	322	2	.	.	PUNCT
admet-678	323	1	138	138	NUM
admet-678	323	2	(	(	PUNCT
admet-678	323	3	2013	2013	NUM
admet-678	323	4	)	)	PUNCT
admet-678	323	5	103	103	NUM
admet-678	323	6	–	–	PUNCT
admet-678	323	7	141	141	NUM
admet-678	323	8	.	.	PUNCT
admet-678	324	1	©	©	NOUN
admet-678	324	2	2019	2019	NUM
admet-678	324	3	by	by	ADP
admet-678	324	4	the	the	DET
admet-678	324	5	authors	author	NOUN
admet-678	324	6	;	;	PUNCT
admet-678	324	7	licensee	licensee	PROPN
admet-678	324	8	iapc	iapc	PROPN
admet-678	324	9	,	,	PUNCT
admet-678	324	10	zagreb	zagreb	PROPN
admet-678	324	11	,	,	PUNCT
admet-678	324	12	croatia	croatia	PROPN
admet-678	324	13	.	.	PUNCT
admet-678	325	1	this	this	DET
admet-678	325	2	article	article	NOUN
admet-678	325	3	is	be	AUX
admet-678	325	4	an	an	DET
admet-678	325	5	open	open	ADJ
admet-678	325	6	-	-	PUNCT
admet-678	325	7	access	access	NOUN
admet-678	325	8	article	article	NOUN
admet-678	325	9	distributed	distribute	VERB
admet-678	325	10	under	under	ADP
admet-678	325	11	the	the	DET
admet-678	325	12	terms	term	NOUN
admet-678	325	13	and	and	CCONJ
admet-678	325	14	conditions	condition	NOUN
admet-678	325	15	of	of	ADP
admet-678	325	16	the	the	DET
admet-678	325	17	creative	creative	ADJ
admet-678	325	18	commons	common	NOUN
admet-678	325	19	attribution	attribution	NOUN
admet-678	325	20	license	license	NOUN
admet-678	325	21	(	(	PUNCT
admet-678	325	22	http://creativecommons.org/licenses/by/3.0/	http://creativecommons.org/licenses/by/3.0/	PROPN
admet-678	325	23	)	)	PUNCT
admet-678	325	24	http://creativecommons.org/licenses/by/3.0/	http://creativecommons.org/licenses/by/3.0/	PROPN