id	sid	tid	token	lemma	pos
cet-3299	1	1	microsoft	microsoft	PROPN
cet-3299	1	2	word	word	PROPN
cet-3299	1	3	025.docx	025.docx	PROPN
cet-3299	1	4	chemical	chemical	NOUN
cet-3299	1	5	engineering	engineering	NOUN
cet-3299	1	6	transactions	transaction	NOUN
cet-3299	1	7	vol	vol	NOUN
cet-3299	1	8	.	.	PUNCT
cet-3299	2	1	48	48	NUM
cet-3299	2	2	,	,	PUNCT
cet-3299	2	3	2016	2016	NUM
cet-3299	2	4	a	a	DET
cet-3299	2	5	publication	publication	NOUN
cet-3299	2	6	of	of	ADP
cet-3299	2	7	the	the	DET
cet-3299	2	8	italian	italian	ADJ
cet-3299	2	9	association	association	NOUN
cet-3299	2	10	of	of	ADP
cet-3299	2	11	chemical	chemical	PROPN
cet-3299	2	12	engineering	engineering	NOUN
cet-3299	2	13	online	online	ADV
cet-3299	2	14	at	at	ADP
cet-3299	2	15	www.aidic.it/cet	www.aidic.it/cet	PROPN
cet-3299	2	16	guest	guest	NOUN
cet-3299	2	17	editors	editor	NOUN
cet-3299	2	18	:	:	PUNCT
cet-3299	2	19	eddy	eddy	PROPN
cet-3299	2	20	de	de	PROPN
cet-3299	2	21	rademaeker	rademaeker	PROPN
cet-3299	2	22	,	,	PUNCT
cet-3299	2	23	peter	peter	PROPN
cet-3299	2	24	schmelzer	schmelzer	PROPN
cet-3299	2	25	copyright	copyright	NOUN
cet-3299	2	26	©	©	PROPN
cet-3299	2	27	2016	2016	NUM
cet-3299	2	28	,	,	PUNCT
cet-3299	2	29	aidic	aidic	ADJ
cet-3299	2	30	servizi	servizi	PROPN
cet-3299	2	31	s.r.l	s.r.l	NOUN
cet-3299	2	32	.	.	PUNCT
cet-3299	2	33	,	,	PUNCT
cet-3299	2	34	isbn	isbn	PROPN
cet-3299	2	35	978	978	NUM
cet-3299	2	36	-	-	SYM
cet-3299	2	37	88	88	NUM
cet-3299	2	38	-	-	PUNCT
cet-3299	2	39	95608	95608	NUM
cet-3299	2	40	-	-	PUNCT
cet-3299	2	41	39	39	NUM
cet-3299	2	42	-	-	SYM
cet-3299	2	43	6	6	NUM
cet-3299	2	44	;	;	PUNCT
cet-3299	2	45	issn	issn	PROPN
cet-3299	2	46	2283	2283	NUM
cet-3299	2	47	-	-	SYM
cet-3299	2	48	9216	9216	NUM
cet-3299	2	49	qspr	qspr	NOUN
cet-3299	2	50	model	model	NOUN
cet-3299	2	51	for	for	ADP
cet-3299	2	52	regulatory	regulatory	ADJ
cet-3299	2	53	purpose	purpose	NOUN
cet-3299	2	54	:	:	PUNCT
cet-3299	2	55	from	from	ADP
cet-3299	2	56	development	development	NOUN
cet-3299	2	57	to	to	ADP
cet-3299	2	58	integration	integration	NOUN
cet-3299	2	59	into	into	ADP
cet-3299	2	60	the	the	DET
cet-3299	2	61	qsar	qsar	NOUN
cet-3299	2	62	toolbox	toolbox	NOUN
cet-3299	2	63	guillaume	guillaume	PROPN
cet-3299	2	64	fayet	fayet	PROPN
cet-3299	2	65	,	,	PUNCT
cet-3299	2	66	patricia	patricia	PROPN
cet-3299	2	67	rotureau	rotureau	PROPN
cet-3299	2	68	*	*	PROPN
cet-3299	2	69	institut	institut	PROPN
cet-3299	2	70	national	national	PROPN
cet-3299	2	71	de	de	PROPN
cet-3299	2	72	l’environnement	l’environnement	PROPN
cet-3299	2	73	industriel	industriel	PROPN
cet-3299	2	74	et	et	PROPN
cet-3299	2	75	des	des	X
cet-3299	2	76	risques	risques	PROPN
cet-3299	2	77	(	(	PUNCT
cet-3299	2	78	ineris	ineris	NOUN
cet-3299	2	79	)	)	PUNCT
cet-3299	2	80	,	,	PUNCT
cet-3299	2	81	parc	parc	X
cet-3299	2	82	technologique	technologique	PROPN
cet-3299	2	83	alata	alata	PROPN
cet-3299	2	84	,	,	PUNCT
cet-3299	2	85	bp2	bp2	PROPN
cet-3299	2	86	,	,	PUNCT
cet-3299	2	87	60550	60550	NUM
cet-3299	2	88	verneuil	verneuil	NOUN
cet-3299	2	89	-	-	PUNCT
cet-3299	2	90	enhalatte	enhalatte	NOUN
cet-3299	2	91	,	,	PUNCT
cet-3299	2	92	france	france	PROPN
cet-3299	2	93	patricia.rotureau@ineris.fr	patricia.rotureau@ineris.fr	PROPN
cet-3299	2	94	quantitative	quantitative	ADJ
cet-3299	2	95	structure	structure	NOUN
cet-3299	2	96	-	-	PUNCT
cet-3299	2	97	property	property	NOUN
cet-3299	2	98	relationships	relationship	NOUN
cet-3299	2	99	(	(	PUNCT
cet-3299	2	100	qspr	qspr	PROPN
cet-3299	2	101	)	)	PUNCT
cet-3299	2	102	are	be	AUX
cet-3299	2	103	predictive	predictive	ADJ
cet-3299	2	104	methods	method	NOUN
cet-3299	2	105	of	of	ADP
cet-3299	2	106	macroscopic	macroscopic	ADJ
cet-3299	2	107	properties	property	NOUN
cet-3299	2	108	of	of	ADP
cet-3299	2	109	substances	substance	NOUN
cet-3299	2	110	based	base	VERB
cet-3299	2	111	on	on	ADP
cet-3299	2	112	their	their	PRON
cet-3299	2	113	only	only	ADJ
cet-3299	2	114	molecular	molecular	ADJ
cet-3299	2	115	structures	structure	NOUN
cet-3299	2	116	.	.	PUNCT
cet-3299	3	1	if	if	SCONJ
cet-3299	3	2	these	these	DET
cet-3299	3	3	methods	method	NOUN
cet-3299	3	4	were	be	AUX
cet-3299	3	5	initially	initially	ADV
cet-3299	3	6	mainly	mainly	ADV
cet-3299	3	7	devoted	devote	VERB
cet-3299	3	8	to	to	ADP
cet-3299	3	9	biology	biology	NOUN
cet-3299	3	10	and	and	CCONJ
cet-3299	3	11	toxicology	toxicology	NOUN
cet-3299	3	12	,	,	PUNCT
cet-3299	3	13	they	they	PRON
cet-3299	3	14	are	be	AUX
cet-3299	3	15	nowadays	nowadays	ADV
cet-3299	3	16	increasingly	increasingly	ADV
cet-3299	3	17	used	use	VERB
cet-3299	3	18	for	for	ADP
cet-3299	3	19	the	the	DET
cet-3299	3	20	prediction	prediction	NOUN
cet-3299	3	21	of	of	ADP
cet-3299	3	22	physico	physico	NOUN
cet-3299	3	23	-	-	PUNCT
cet-3299	3	24	chemical	chemical	NOUN
cet-3299	3	25	properties	property	NOUN
cet-3299	3	26	.	.	PUNCT
cet-3299	4	1	in	in	ADP
cet-3299	4	2	the	the	DET
cet-3299	4	3	framework	framework	NOUN
cet-3299	4	4	of	of	ADP
cet-3299	4	5	the	the	DET
cet-3299	4	6	european	european	ADJ
cet-3299	4	7	reach	reach	VERB
cet-3299	4	8	regulation	regulation	NOUN
cet-3299	4	9	(	(	PUNCT
cet-3299	4	10	2006	2006	NUM
cet-3299	4	11	)	)	PUNCT
cet-3299	4	12	,	,	PUNCT
cet-3299	4	13	their	their	PRON
cet-3299	4	14	developments	development	NOUN
cet-3299	4	15	are	be	AUX
cet-3299	4	16	encouraged	encourage	VERB
cet-3299	4	17	as	as	ADP
cet-3299	4	18	alternative	alternative	ADJ
cet-3299	4	19	to	to	ADP
cet-3299	4	20	experimental	experimental	ADJ
cet-3299	4	21	tests	test	NOUN
cet-3299	4	22	.	.	PUNCT
cet-3299	5	1	indeed	indeed	ADV
cet-3299	5	2	,	,	PUNCT
cet-3299	5	3	this	this	DET
cet-3299	5	4	regulation	regulation	NOUN
cet-3299	5	5	requires	require	VERB
cet-3299	5	6	the	the	DET
cet-3299	5	7	evaluation	evaluation	NOUN
cet-3299	5	8	of	of	ADP
cet-3299	5	9	the	the	DET
cet-3299	5	10	physico	physico	NOUN
cet-3299	5	11	-	-	PUNCT
cet-3299	5	12	chemical	chemical	NOUN
cet-3299	5	13	properties	property	NOUN
cet-3299	5	14	of	of	ADP
cet-3299	5	15	a	a	DET
cet-3299	5	16	large	large	ADJ
cet-3299	5	17	number	number	NOUN
cet-3299	5	18	of	of	ADP
cet-3299	5	19	existing	exist	VERB
cet-3299	5	20	substances	substance	NOUN
cet-3299	5	21	(	(	PUNCT
cet-3299	5	22	143	143	NUM
cet-3299	5	23	000	000	NUM
cet-3299	5	24	pre	pre	ADJ
cet-3299	5	25	-	-	ADJ
cet-3299	5	26	registered	registered	ADJ
cet-3299	5	27	substances	substance	NOUN
cet-3299	5	28	in	in	ADP
cet-3299	5	29	2008	2008	NUM
cet-3299	5	30	)	)	PUNCT
cet-3299	6	1	in	in	ADP
cet-3299	6	2	order	order	NOUN
cet-3299	6	3	to	to	PART
cet-3299	6	4	allow	allow	VERB
cet-3299	6	5	their	their	PRON
cet-3299	6	6	use	use	NOUN
cet-3299	6	7	before	before	ADP
cet-3299	6	8	2018	2018	NUM
cet-3299	6	9	.	.	PUNCT
cet-3299	7	1	due	due	ADP
cet-3299	7	2	to	to	ADP
cet-3299	7	3	the	the	DET
cet-3299	7	4	number	number	NOUN
cet-3299	7	5	of	of	ADP
cet-3299	7	6	substances	substance	NOUN
cet-3299	7	7	and	and	CCONJ
cet-3299	7	8	properties	property	NOUN
cet-3299	7	9	,	,	PUNCT
cet-3299	7	10	the	the	DET
cet-3299	7	11	timing	timing	NOUN
cet-3299	7	12	,	,	PUNCT
cet-3299	7	13	the	the	DET
cet-3299	7	14	economic	economic	ADJ
cet-3299	7	15	costs	cost	NOUN
cet-3299	7	16	,	,	PUNCT
cet-3299	7	17	the	the	DET
cet-3299	7	18	feasibility	feasibility	NOUN
cet-3299	7	19	at	at	ADP
cet-3299	7	20	the	the	DET
cet-3299	7	21	r&d	r&d	NOUN
cet-3299	7	22	level	level	NOUN
cet-3299	7	23	and	and	CCONJ
cet-3299	7	24	the	the	DET
cet-3299	7	25	risks	risk	NOUN
cet-3299	7	26	for	for	ADP
cet-3299	7	27	the	the	DET
cet-3299	7	28	manipulator	manipulator	NOUN
cet-3299	7	29	,	,	PUNCT
cet-3299	7	30	in	in	ADP
cet-3299	7	31	particular	particular	ADJ
cet-3299	7	32	for	for	ADP
cet-3299	7	33	the	the	DET
cet-3299	7	34	characterization	characterization	NOUN
cet-3299	7	35	of	of	ADP
cet-3299	7	36	the	the	DET
cet-3299	7	37	dangerous	dangerous	ADJ
cet-3299	7	38	physico	physico	NOUN
cet-3299	7	39	-	-	PUNCT
cet-3299	7	40	chemical	chemical	NOUN
cet-3299	7	41	properties	property	NOUN
cet-3299	7	42	(	(	PUNCT
cet-3299	7	43	explosibility	explosibility	NOUN
cet-3299	7	44	,	,	PUNCT
cet-3299	7	45	flammability	flammability	NOUN
cet-3299	7	46	)	)	PUNCT
cet-3299	7	47	,	,	PUNCT
cet-3299	7	48	the	the	DET
cet-3299	7	49	complete	complete	ADJ
cet-3299	7	50	gathering	gathering	NOUN
cet-3299	7	51	of	of	ADP
cet-3299	7	52	the	the	DET
cet-3299	7	53	data	datum	NOUN
cet-3299	7	54	solely	solely	ADV
cet-3299	7	55	based	base	VERB
cet-3299	7	56	on	on	ADP
cet-3299	7	57	experimental	experimental	ADJ
cet-3299	7	58	measurements	measurement	NOUN
cet-3299	7	59	is	be	AUX
cet-3299	7	60	not	not	PART
cet-3299	7	61	realistic	realistic	ADJ
cet-3299	7	62	.	.	PUNCT
cet-3299	8	1	thus	thus	ADV
cet-3299	8	2	,	,	PUNCT
cet-3299	8	3	the	the	DET
cet-3299	8	4	use	use	NOUN
cet-3299	8	5	of	of	ADP
cet-3299	8	6	such	such	ADJ
cet-3299	8	7	alternative	alternative	ADJ
cet-3299	8	8	predictive	predictive	ADJ
cet-3299	8	9	methods	method	NOUN
cet-3299	8	10	was	be	AUX
cet-3299	8	11	recommended	recommend	VERB
cet-3299	8	12	by	by	ADP
cet-3299	8	13	reach	reach	NOUN
cet-3299	8	14	for	for	ADP
cet-3299	8	15	the	the	DET
cet-3299	8	16	evaluation	evaluation	NOUN
cet-3299	8	17	of	of	ADP
cet-3299	8	18	the	the	DET
cet-3299	8	19	properties	property	NOUN
cet-3299	8	20	of	of	ADP
cet-3299	8	21	substances	substance	NOUN
cet-3299	8	22	.	.	PUNCT
cet-3299	9	1	in	in	ADP
cet-3299	9	2	this	this	DET
cet-3299	9	3	context	context	NOUN
cet-3299	9	4	,	,	PUNCT
cet-3299	9	5	ineris	ineris	NOUN
cet-3299	9	6	developed	develop	VERB
cet-3299	9	7	qspr	qspr	NOUN
cet-3299	9	8	models	model	NOUN
cet-3299	9	9	for	for	ADP
cet-3299	9	10	the	the	DET
cet-3299	9	11	prediction	prediction	NOUN
cet-3299	9	12	of	of	ADP
cet-3299	9	13	hazardous	hazardous	ADJ
cet-3299	9	14	physico	physico	NOUN
cet-3299	9	15	-	-	PUNCT
cet-3299	9	16	chemical	chemical	NOUN
cet-3299	9	17	properties	property	NOUN
cet-3299	9	18	of	of	ADP
cet-3299	9	19	chemical	chemical	ADJ
cet-3299	9	20	substances	substance	NOUN
cet-3299	9	21	like	like	ADP
cet-3299	9	22	explosibility	explosibility	NOUN
cet-3299	9	23	of	of	ADP
cet-3299	9	24	nitro	nitro	NOUN
cet-3299	9	25	compounds	compound	NOUN
cet-3299	9	26	,	,	PUNCT
cet-3299	9	27	thermal	thermal	ADJ
cet-3299	9	28	stability	stability	NOUN
cet-3299	9	29	of	of	ADP
cet-3299	9	30	organic	organic	ADJ
cet-3299	9	31	peroxides	peroxide	NOUN
cet-3299	9	32	or	or	CCONJ
cet-3299	9	33	flammability	flammability	NOUN
cet-3299	9	34	of	of	ADP
cet-3299	9	35	amines	amine	NOUN
cet-3299	9	36	.	.	PUNCT
cet-3299	10	1	to	to	ADP
cet-3299	10	2	this	this	DET
cet-3299	10	3	end	end	NOUN
cet-3299	10	4	,	,	PUNCT
cet-3299	10	5	quantum	quantum	ADJ
cet-3299	10	6	chemical	chemical	NOUN
cet-3299	10	7	tools	tool	NOUN
cet-3299	10	8	allowed	allow	VERB
cet-3299	10	9	calculating	calculate	VERB
cet-3299	10	10	relevant	relevant	ADJ
cet-3299	10	11	molecular	molecular	ADJ
cet-3299	10	12	descriptors	descriptor	NOUN
cet-3299	10	13	(	(	PUNCT
cet-3299	10	14	notably	notably	ADV
cet-3299	10	15	issued	issue	VERB
cet-3299	10	16	from	from	ADP
cet-3299	10	17	conceptual	conceptual	ADJ
cet-3299	10	18	dft	dft	PROPN
cet-3299	10	19	)	)	PUNCT
cet-3299	10	20	and	and	CCONJ
cet-3299	10	21	to	to	ADP
cet-3299	10	22	evidence	evidence	NOUN
cet-3299	10	23	subjacent	subjacent	NOUN
cet-3299	10	24	chemical	chemical	NOUN
cet-3299	10	25	mechanisms	mechanism	NOUN
cet-3299	10	26	.	.	PUNCT
cet-3299	11	1	these	these	DET
cet-3299	11	2	models	model	NOUN
cet-3299	11	3	were	be	AUX
cet-3299	11	4	developed	develop	VERB
cet-3299	11	5	according	accord	VERB
cet-3299	11	6	to	to	ADP
cet-3299	11	7	the	the	DET
cet-3299	11	8	five	five	NUM
cet-3299	11	9	validation	validation	NOUN
cet-3299	11	10	principles	principle	NOUN
cet-3299	11	11	of	of	ADP
cet-3299	11	12	qspr	qspr	NOUN
cet-3299	11	13	models	model	NOUN
cet-3299	11	14	proposed	propose	VERB
cet-3299	11	15	by	by	ADP
cet-3299	11	16	oecd	oecd	PROPN
cet-3299	11	17	for	for	ADP
cet-3299	11	18	regulatory	regulatory	ADJ
cet-3299	11	19	use	use	NOUN
cet-3299	11	20	.	.	PUNCT
cet-3299	12	1	during	during	ADP
cet-3299	12	2	the	the	DET
cet-3299	12	3	french	french	ADJ
cet-3299	12	4	predimol	predimol	PROPN
cet-3299	12	5	(	(	PUNCT
cet-3299	12	6	molecular	molecular	ADJ
cet-3299	12	7	modeling	modeling	NOUN
cet-3299	12	8	prediction	prediction	NOUN
cet-3299	12	9	of	of	ADP
cet-3299	12	10	physico	physico	NOUN
cet-3299	12	11	-	-	PUNCT
cet-3299	12	12	chemical	chemical	NOUN
cet-3299	12	13	properties	property	NOUN
cet-3299	12	14	of	of	ADP
cet-3299	12	15	products	product	NOUN
cet-3299	12	16	)	)	PUNCT
cet-3299	12	17	project	project	NOUN
cet-3299	12	18	(	(	PUNCT
cet-3299	12	19	2015	2015	NUM
cet-3299	12	20	)	)	PUNCT
cet-3299	12	21	funded	fund	VERB
cet-3299	12	22	by	by	ADP
cet-3299	12	23	anr	anr	PROPN
cet-3299	12	24	(	(	PUNCT
cet-3299	12	25	national	national	ADJ
cet-3299	12	26	research	research	NOUN
cet-3299	12	27	agency	agency	PROPN
cet-3299	12	28	)	)	PUNCT
cet-3299	12	29	,	,	PUNCT
cet-3299	12	30	it	it	PRON
cet-3299	12	31	was	be	AUX
cet-3299	12	32	demonstrated	demonstrate	VERB
cet-3299	12	33	that	that	SCONJ
cet-3299	12	34	molecular	molecular	ADJ
cet-3299	12	35	modeling	modeling	NOUN
cet-3299	12	36	,	,	PUNCT
cet-3299	12	37	notably	notably	ADV
cet-3299	12	38	the	the	DET
cet-3299	12	39	use	use	NOUN
cet-3299	12	40	of	of	ADP
cet-3299	12	41	qspr	qspr	NOUN
cet-3299	12	42	models	model	NOUN
cet-3299	12	43	,	,	PUNCT
cet-3299	12	44	was	be	AUX
cet-3299	12	45	a	a	DET
cet-3299	12	46	credible	credible	ADJ
cet-3299	12	47	alternative	alternative	ADJ
cet-3299	12	48	approach	approach	NOUN
cet-3299	12	49	to	to	ADP
cet-3299	12	50	experimental	experimental	ADJ
cet-3299	12	51	characterization	characterization	NOUN
cet-3299	12	52	to	to	ADP
cet-3299	12	53	access	access	NOUN
cet-3299	12	54	,	,	PUNCT
cet-3299	12	55	in	in	ADP
cet-3299	12	56	a	a	DET
cet-3299	12	57	reliable	reliable	ADJ
cet-3299	12	58	and	and	CCONJ
cet-3299	12	59	fast	fast	ADJ
cet-3299	12	60	manner	manner	NOUN
cet-3299	12	61	,	,	PUNCT
cet-3299	12	62	physico	physico	NOUN
cet-3299	12	63	-	-	PUNCT
cet-3299	12	64	chemical	chemical	NOUN
cet-3299	12	65	properties	property	NOUN
cet-3299	12	66	of	of	ADP
cet-3299	12	67	substances	substance	NOUN
cet-3299	12	68	required	require	VERB
cet-3299	12	69	by	by	ADP
cet-3299	12	70	reach	reach	NOUN
cet-3299	12	71	(	(	PUNCT
cet-3299	12	72	annexes	annexe	NOUN
cet-3299	12	73	vii	vii	PROPN
cet-3299	12	74	and	and	CCONJ
cet-3299	12	75	ix	ix	ADJ
cet-3299	12	76	)	)	PUNCT
cet-3299	12	77	.	.	PUNCT
cet-3299	13	1	this	this	DET
cet-3299	13	2	paper	paper	NOUN
cet-3299	13	3	presents	present	VERB
cet-3299	13	4	an	an	DET
cet-3299	13	5	overview	overview	NOUN
cet-3299	13	6	of	of	ADP
cet-3299	13	7	existing	exist	VERB
cet-3299	13	8	validated	validate	VERB
cet-3299	13	9	qspr	qspr	NOUN
cet-3299	13	10	models	model	NOUN
cet-3299	13	11	for	for	ADP
cet-3299	13	12	hazardous	hazardous	ADJ
cet-3299	13	13	physico	physico	NOUN
cet-3299	13	14	-	-	PUNCT
cet-3299	13	15	chemical	chemical	NOUN
cet-3299	13	16	properties	property	NOUN
cet-3299	13	17	including	include	VERB
cet-3299	13	18	those	those	PRON
cet-3299	13	19	developed	develop	VERB
cet-3299	13	20	recently	recently	ADV
cet-3299	13	21	by	by	ADP
cet-3299	13	22	ineris	ineris	NOUN
cet-3299	13	23	.	.	PUNCT
cet-3299	14	1	then	then	ADV
cet-3299	14	2	,	,	PUNCT
cet-3299	14	3	the	the	DET
cet-3299	14	4	different	different	ADJ
cet-3299	14	5	ways	way	NOUN
cet-3299	14	6	towards	towards	ADP
cet-3299	14	7	the	the	DET
cet-3299	14	8	acceptance	acceptance	NOUN
cet-3299	14	9	and	and	CCONJ
cet-3299	14	10	use	use	NOUN
cet-3299	14	11	of	of	ADP
cet-3299	14	12	qspr	qspr	NOUN
cet-3299	14	13	in	in	ADP
cet-3299	14	14	a	a	DET
cet-3299	14	15	regulatory	regulatory	ADJ
cet-3299	14	16	assessment	assessment	NOUN
cet-3299	14	17	of	of	ADP
cet-3299	14	18	chemicals	chemical	NOUN
cet-3299	14	19	are	be	AUX
cet-3299	14	20	discussed	discuss	VERB
cet-3299	14	21	and	and	CCONJ
cet-3299	14	22	exemplified	exemplify	VERB
cet-3299	14	23	with	with	ADP
cet-3299	14	24	the	the	DET
cet-3299	14	25	first	first	ADJ
cet-3299	14	26	qspr	qspr	NOUN
cet-3299	14	27	model	model	NOUN
cet-3299	14	28	implemented	implement	VERB
cet-3299	14	29	into	into	ADP
cet-3299	14	30	the	the	DET
cet-3299	14	31	qsar	qsar	NOUN
cet-3299	14	32	toolbox	toolbox	NOUN
cet-3299	14	33	of	of	ADP
cet-3299	14	34	echa	echa	PROPN
cet-3299	14	35	and	and	CCONJ
cet-3299	14	36	oecd	oecd	PROPN
cet-3299	14	37	(	(	PUNCT
cet-3299	14	38	2015	2015	NUM
cet-3299	14	39	)	)	PUNCT
cet-3299	14	40	(	(	PUNCT
cet-3299	14	41	in	in	ADP
cet-3299	14	42	its	its	PRON
cet-3299	14	43	version	version	NOUN
cet-3299	14	44	3.3	3.3	NUM
cet-3299	14	45	of	of	ADP
cet-3299	14	46	december	december	PROPN
cet-3299	14	47	2014	2014	NUM
cet-3299	14	48	)	)	PUNCT
cet-3299	14	49	for	for	ADP
cet-3299	14	50	the	the	DET
cet-3299	14	51	prediction	prediction	NOUN
cet-3299	14	52	of	of	ADP
cet-3299	14	53	a	a	DET
cet-3299	14	54	hazardous	hazardous	ADJ
cet-3299	14	55	physico	physico	NOUN
cet-3299	14	56	-	-	PUNCT
cet-3299	14	57	chemical	chemical	NOUN
cet-3299	14	58	property	property	NOUN
cet-3299	14	59	.	.	PUNCT
cet-3299	15	1	this	this	DET
cet-3299	15	2	model	model	NOUN
cet-3299	15	3	is	be	AUX
cet-3299	15	4	a	a	DET
cet-3299	15	5	simple	simple	ADJ
cet-3299	15	6	multilinear	multilinear	NOUN
cet-3299	15	7	model	model	NOUN
cet-3299	15	8	(	(	PUNCT
cet-3299	15	9	based	base	VERB
cet-3299	15	10	only	only	ADV
cet-3299	15	11	on	on	ADP
cet-3299	15	12	constitutional	constitutional	ADJ
cet-3299	15	13	descriptors	descriptor	NOUN
cet-3299	15	14	)	)	PUNCT
cet-3299	15	15	dedicated	dedicate	VERB
cet-3299	15	16	to	to	ADP
cet-3299	15	17	the	the	DET
cet-3299	15	18	prediction	prediction	NOUN
cet-3299	15	19	of	of	ADP
cet-3299	15	20	one	one	NUM
cet-3299	15	21	property	property	NOUN
cet-3299	15	22	of	of	ADP
cet-3299	15	23	explosibility	explosibility	NOUN
cet-3299	15	24	which	which	PRON
cet-3299	15	25	is	be	AUX
cet-3299	15	26	the	the	DET
cet-3299	15	27	impact	impact	NOUN
cet-3299	15	28	sensitivity	sensitivity	NOUN
cet-3299	15	29	of	of	ADP
cet-3299	15	30	nitroaliphatics	nitroaliphatic	NOUN
cet-3299	15	31	(	(	PUNCT
cet-3299	15	32	prana	prana	NOUN
cet-3299	15	33	et	et	PROPN
cet-3299	15	34	al	al	PROPN
cet-3299	15	35	.	.	PROPN
cet-3299	15	36	2012	2012	NUM
cet-3299	15	37	)	)	PUNCT
cet-3299	15	38	.	.	PUNCT
cet-3299	16	1	1	1	X
cet-3299	16	2	.	.	X
cet-3299	16	3	overview	overview	NOUN
cet-3299	16	4	of	of	ADP
cet-3299	16	5	existing	exist	VERB
cet-3299	16	6	qspr	qspr	NOUN
cet-3299	16	7	models	model	NOUN
cet-3299	16	8	for	for	ADP
cet-3299	16	9	hazardous	hazardous	ADJ
cet-3299	16	10	physico	physico	NOUN
cet-3299	16	11	-	-	PUNCT
cet-3299	16	12	chemical	chemical	NOUN
cet-3299	16	13	properties	property	NOUN
cet-3299	16	14	1.1	1.1	NUM
cet-3299	16	15	principle	principle	NOUN
cet-3299	16	16	of	of	ADP
cet-3299	16	17	the	the	DET
cet-3299	16	18	qspr	qspr	NOUN
cet-3299	16	19	method	method	VERB
cet-3299	16	20	the	the	DET
cet-3299	16	21	qspr	qspr	NOUN
cet-3299	16	22	method	method	NOUN
cet-3299	16	23	is	be	AUX
cet-3299	16	24	based	base	VERB
cet-3299	16	25	on	on	ADP
cet-3299	16	26	the	the	DET
cet-3299	16	27	principle	principle	NOUN
cet-3299	16	28	that	that	SCONJ
cet-3299	16	29	molecules	molecule	NOUN
cet-3299	16	30	with	with	ADP
cet-3299	16	31	similar	similar	ADJ
cet-3299	16	32	structures	structure	NOUN
cet-3299	16	33	have	have	AUX
cet-3299	16	34	similar	similar	ADJ
cet-3299	16	35	properties	property	NOUN
cet-3299	16	36	.	.	PUNCT
cet-3299	17	1	the	the	DET
cet-3299	17	2	molecular	molecular	ADJ
cet-3299	17	3	structure	structure	NOUN
cet-3299	17	4	is	be	AUX
cet-3299	17	5	represented	represent	VERB
cet-3299	17	6	by	by	ADP
cet-3299	17	7	a	a	DET
cet-3299	17	8	series	series	NOUN
cet-3299	17	9	of	of	ADP
cet-3299	17	10	descriptors	descriptor	NOUN
cet-3299	17	11	that	that	PRON
cet-3299	17	12	can	can	AUX
cet-3299	17	13	be	be	AUX
cet-3299	17	14	mathematically	mathematically	ADV
cet-3299	17	15	connected	connect	VERB
cet-3299	17	16	to	to	ADP
cet-3299	17	17	experimental	experimental	ADJ
cet-3299	17	18	properties	property	NOUN
cet-3299	17	19	by	by	ADP
cet-3299	17	20	a	a	DET
cet-3299	17	21	qspr	qspr	ADJ
cet-3299	17	22	model	model	NOUN
cet-3299	17	23	.	.	PUNCT
cet-3299	18	1	so	so	ADV
cet-3299	18	2	,	,	PUNCT
cet-3299	18	3	such	such	ADJ
cet-3299	18	4	model	model	NOUN
cet-3299	18	5	will	will	AUX
cet-3299	18	6	have	have	VERB
cet-3299	18	7	the	the	DET
cet-3299	18	8	following	follow	VERB
cet-3299	18	9	form	form	NOUN
cet-3299	18	10	:	:	PUNCT
cet-3299	18	11	property	property	NOUN
cet-3299	18	12	=	=	SYM
cet-3299	18	13	f(descriptors	f(descriptor	NOUN
cet-3299	18	14	)	)	PUNCT
cet-3299	18	15	(	(	PUNCT
cet-3299	18	16	1	1	X
cet-3299	18	17	)	)	PUNCT
cet-3299	18	18	a	a	DET
cet-3299	18	19	large	large	ADJ
cet-3299	18	20	number	number	NOUN
cet-3299	18	21	of	of	ADP
cet-3299	18	22	descriptors	descriptor	NOUN
cet-3299	18	23	(	(	PUNCT
cet-3299	18	24	constitutional	constitutional	ADJ
cet-3299	18	25	,	,	PUNCT
cet-3299	18	26	topological	topological	ADJ
cet-3299	18	27	,	,	PUNCT
cet-3299	18	28	geometric	geometric	ADJ
cet-3299	18	29	and	and	CCONJ
cet-3299	18	30	quantum	quantum	ADJ
cet-3299	18	31	chemical	chemical	NOUN
cet-3299	18	32	)	)	PUNCT
cet-3299	18	33	can	can	AUX
cet-3299	18	34	be	be	AUX
cet-3299	18	35	calculated	calculate	VERB
cet-3299	18	36	to	to	PART
cet-3299	18	37	describe	describe	VERB
cet-3299	18	38	the	the	DET
cet-3299	18	39	structure	structure	NOUN
cet-3299	18	40	of	of	ADP
cet-3299	18	41	molecules	molecule	NOUN
cet-3299	18	42	(	(	PUNCT
cet-3299	18	43	karelson	karelson	NOUN
cet-3299	18	44	,	,	PUNCT
cet-3299	18	45	2000	2000	NUM
cet-3299	18	46	)	)	PUNCT
cet-3299	18	47	.	.	PUNCT
cet-3299	19	1	in	in	ADP
cet-3299	19	2	this	this	DET
cet-3299	19	3	paper	paper	NOUN
cet-3299	19	4	,	,	PUNCT
cet-3299	19	5	each	each	DET
cet-3299	19	6	molecule	molecule	NOUN
cet-3299	19	7	was	be	AUX
cet-3299	19	8	characterized	characterize	VERB
cet-3299	19	9	by	by	ADP
cet-3299	19	10	doi	doi	NOUN
cet-3299	19	11	:	:	PUNCT
cet-3299	19	12	10.3303	10.3303	NUM
cet-3299	19	13	/	/	SYM
cet-3299	19	14	cet1648014	cet1648014	NOUN
cet-3299	19	15	please	please	INTJ
cet-3299	19	16	cite	cite	VERB
cet-3299	19	17	this	this	DET
cet-3299	19	18	article	article	NOUN
cet-3299	19	19	as	as	ADP
cet-3299	19	20	:	:	PUNCT
cet-3299	19	21	fayet	fayet	PROPN
cet-3299	19	22	g.	g.	PROPN
cet-3299	19	23	,	,	PUNCT
cet-3299	19	24	rotureau	rotureau	PROPN
cet-3299	19	25	p.	p.	PROPN
cet-3299	19	26	,	,	PUNCT
cet-3299	19	27	2016	2016	NUM
cet-3299	19	28	,	,	PUNCT
cet-3299	19	29	qspr	qspr	NOUN
cet-3299	19	30	model	model	NOUN
cet-3299	19	31	for	for	ADP
cet-3299	19	32	regulatory	regulatory	ADJ
cet-3299	19	33	purpose	purpose	NOUN
cet-3299	19	34	:	:	PUNCT
cet-3299	19	35	from	from	ADP
cet-3299	19	36	development	development	NOUN
cet-3299	19	37	to	to	ADP
cet-3299	19	38	integration	integration	NOUN
cet-3299	19	39	into	into	ADP
cet-3299	19	40	the	the	DET
cet-3299	19	41	qsar	qsar	NOUN
cet-3299	19	42	toolbox	toolbox	NOUN
cet-3299	19	43	,	,	PUNCT
cet-3299	19	44	chemical	chemical	ADJ
cet-3299	19	45	engineering	engineering	NOUN
cet-3299	19	46	transactions	transaction	NOUN
cet-3299	19	47	,	,	PUNCT
cet-3299	19	48	48	48	NUM
cet-3299	19	49	,	,	PUNCT
cet-3299	19	50	79	79	NUM
cet-3299	19	51	-	-	SYM
cet-3299	19	52	84	84	NUM
cet-3299	19	53	doi:10.3303	doi:10.3303	NOUN
cet-3299	19	54	/	/	SYM
cet-3299	19	55	cet1648014	cet1648014	VERB
cet-3299	19	56	79	79	NUM
cet-3299	19	57	more	more	ADJ
cet-3299	19	58	than	than	ADP
cet-3299	19	59	400	400	NUM
cet-3299	19	60	descriptors	descriptor	NOUN
cet-3299	19	61	calculated	calculate	VERB
cet-3299	19	62	in	in	ADP
cet-3299	19	63	codessa	codessa	ADJ
cet-3299	19	64	software	software	NOUN
cet-3299	19	65	(	(	PUNCT
cet-3299	19	66	2002	2002	NUM
cet-3299	19	67	)	)	PUNCT
cet-3299	19	68	based	base	VERB
cet-3299	19	69	on	on	ADP
cet-3299	19	70	geometric	geometric	ADJ
cet-3299	19	71	structures	structure	NOUN
cet-3299	19	72	optimized	optimize	VERB
cet-3299	19	73	at	at	ADP
cet-3299	19	74	the	the	DET
cet-3299	19	75	pbe0/6	pbe0/6	NOUN
cet-3299	19	76	-	-	SYM
cet-3299	19	77	31+g(d	31+g(d	NUM
cet-3299	19	78	,	,	PUNCT
cet-3299	19	79	p	p	NOUN
cet-3299	19	80	)	)	PUNCT
cet-3299	19	81	level	level	NOUN
cet-3299	19	82	of	of	ADP
cet-3299	19	83	dft	dft	PROPN
cet-3299	19	84	(	(	PUNCT
cet-3299	19	85	density	density	NOUN
cet-3299	19	86	functional	functional	ADJ
cet-3299	19	87	theory	theory	NOUN
cet-3299	19	88	)	)	PUNCT
cet-3299	19	89	using	use	VERB
cet-3299	19	90	gaussian09	gaussian09	NOUN
cet-3299	19	91	(	(	PUNCT
cet-3299	19	92	2009	2009	NUM
cet-3299	19	93	)	)	PUNCT
cet-3299	19	94	.	.	PUNCT
cet-3299	20	1	these	these	DET
cet-3299	20	2	descriptors	descriptor	NOUN
cet-3299	20	3	include	include	VERB
cet-3299	20	4	quantum	quantum	ADJ
cet-3299	20	5	chemical	chemical	NOUN
cet-3299	20	6	ones	one	NOUN
cet-3299	20	7	and	and	CCONJ
cet-3299	20	8	in	in	ADP
cet-3299	20	9	particular	particular	ADJ
cet-3299	20	10	those	those	PRON
cet-3299	20	11	issued	issue	VERB
cet-3299	20	12	from	from	ADP
cet-3299	20	13	the	the	DET
cet-3299	20	14	conceptual	conceptual	ADJ
cet-3299	20	15	dft	dft	PROPN
cet-3299	20	16	but	but	CCONJ
cet-3299	20	17	also	also	ADV
cet-3299	20	18	additional	additional	ADJ
cet-3299	20	19	descriptors	descriptor	NOUN
cet-3299	20	20	extracted	extract	VERB
cet-3299	20	21	from	from	ADP
cet-3299	20	22	the	the	DET
cet-3299	20	23	examination	examination	NOUN
cet-3299	20	24	of	of	ADP
cet-3299	20	25	chemical	chemical	NOUN
cet-3299	20	26	structures	structure	NOUN
cet-3299	20	27	(	(	PUNCT
cet-3299	20	28	for	for	ADP
cet-3299	20	29	example	example	NOUN
cet-3299	20	30	,	,	PUNCT
cet-3299	20	31	the	the	DET
cet-3299	20	32	number	number	NOUN
cet-3299	20	33	of	of	ADP
cet-3299	20	34	specific	specific	ADJ
cet-3299	20	35	fragments	fragment	NOUN
cet-3299	20	36	such	such	ADJ
cet-3299	20	37	as	as	ADP
cet-3299	20	38	ncnc	ncnc	ADJ
cet-3299	20	39	(	(	PUNCT
cet-3299	20	40	the	the	DET
cet-3299	20	41	number	number	NOUN
cet-3299	20	42	of	of	ADP
cet-3299	20	43	cnc	cnc	ADJ
cet-3299	20	44	fragments	fragment	NOUN
cet-3299	20	45	)	)	PUNCT
cet-3299	20	46	or	or	CCONJ
cet-3299	20	47	the	the	DET
cet-3299	20	48	oxygen	oxygen	NOUN
cet-3299	20	49	balance	balance	NOUN
cet-3299	20	50	)	)	PUNCT
cet-3299	20	51	.	.	PUNCT
cet-3299	21	1	many	many	ADJ
cet-3299	21	2	statistical	statistical	ADJ
cet-3299	21	3	tools	tool	NOUN
cet-3299	21	4	can	can	AUX
cet-3299	21	5	be	be	AUX
cet-3299	21	6	used	use	VERB
cet-3299	21	7	to	to	PART
cet-3299	21	8	develop	develop	VERB
cet-3299	21	9	qspr	qspr	NOUN
cet-3299	21	10	models	model	NOUN
cet-3299	21	11	(	(	PUNCT
cet-3299	21	12	multi	multi	ADJ
cet-3299	21	13	-	-	ADJ
cet-3299	21	14	linear	linear	ADJ
cet-3299	21	15	regression	regression	NOUN
cet-3299	21	16	(	(	PUNCT
cet-3299	21	17	mlr	mlr	NOUN
cet-3299	21	18	)	)	PUNCT
cet-3299	21	19	,	,	PUNCT
cet-3299	21	20	genetic	genetic	ADJ
cet-3299	21	21	algorithm	algorithm	NOUN
cet-3299	21	22	,	,	PUNCT
cet-3299	21	23	neural	neural	ADJ
cet-3299	21	24	network	network	NOUN
cet-3299	21	25	,	,	PUNCT
cet-3299	21	26	principal	principal	ADJ
cet-3299	21	27	component	component	NOUN
cet-3299	21	28	analysis	analysis	NOUN
cet-3299	21	29	(	(	PUNCT
cet-3299	21	30	pca	pca	NOUN
cet-3299	21	31	)	)	PUNCT
cet-3299	21	32	,	,	PUNCT
cet-3299	21	33	decision	decision	NOUN
cet-3299	21	34	tree	tree	NOUN
cet-3299	21	35	,	,	PUNCT
cet-3299	21	36	etc	etc	X
cet-3299	21	37	...	...	PUNCT
cet-3299	21	38	)	)	PUNCT
cet-3299	21	39	.	.	PUNCT
cet-3299	22	1	in	in	ADP
cet-3299	22	2	this	this	DET
cet-3299	22	3	paper	paper	NOUN
cet-3299	22	4	,	,	PUNCT
cet-3299	22	5	the	the	DET
cet-3299	22	6	presented	present	VERB
cet-3299	22	7	mlr	mlr	NOUN
cet-3299	22	8	models	model	NOUN
cet-3299	22	9	were	be	AUX
cet-3299	22	10	obtained	obtain	VERB
cet-3299	22	11	using	use	VERB
cet-3299	22	12	the	the	DET
cet-3299	22	13	best	good	ADJ
cet-3299	22	14	multi	multi	ADJ
cet-3299	22	15	linear	linear	PROPN
cet-3299	22	16	regression	regression	NOUN
cet-3299	22	17	(	(	PUNCT
cet-3299	22	18	bmlr	bmlr	NOUN
cet-3299	22	19	)	)	PUNCT
cet-3299	22	20	technique	technique	NOUN
cet-3299	22	21	(	(	PUNCT
cet-3299	22	22	karelson	karelson	NOUN
cet-3299	22	23	,	,	PUNCT
cet-3299	22	24	2000	2000	NUM
cet-3299	22	25	)	)	PUNCT
cet-3299	22	26	,	,	PUNCT
cet-3299	22	27	a	a	DET
cet-3299	22	28	stepwise	stepwise	ADJ
cet-3299	22	29	approach	approach	NOUN
cet-3299	22	30	,	,	PUNCT
cet-3299	22	31	as	as	SCONJ
cet-3299	22	32	implemented	implement	VERB
cet-3299	22	33	in	in	ADP
cet-3299	22	34	codessa	codessa	ADJ
cet-3299	22	35	software	software	NOUN
cet-3299	22	36	(	(	PUNCT
cet-3299	22	37	2002	2002	NUM
cet-3299	22	38	)	)	PUNCT
cet-3299	22	39	,	,	PUNCT
cet-3299	22	40	to	to	PART
cet-3299	22	41	choose	choose	VERB
cet-3299	22	42	the	the	DET
cet-3299	22	43	final	final	ADJ
cet-3299	22	44	model	model	NOUN
cet-3299	22	45	as	as	ADP
cet-3299	22	46	the	the	DET
cet-3299	22	47	best	good	ADJ
cet-3299	22	48	compromise	compromise	NOUN
cet-3299	22	49	between	between	ADP
cet-3299	22	50	correlation	correlation	NOUN
cet-3299	22	51	and	and	CCONJ
cet-3299	22	52	number	number	NOUN
cet-3299	22	53	of	of	ADP
cet-3299	22	54	descriptors	descriptor	NOUN
cet-3299	22	55	.	.	PUNCT
cet-3299	23	1	within	within	ADP
cet-3299	23	2	the	the	DET
cet-3299	23	3	context	context	NOUN
cet-3299	23	4	of	of	ADP
cet-3299	23	5	reach	reach	NOUN
cet-3299	23	6	,	,	PUNCT
cet-3299	23	7	the	the	DET
cet-3299	23	8	development	development	NOUN
cet-3299	23	9	of	of	ADP
cet-3299	23	10	qspr	qspr	NOUN
cet-3299	23	11	models	model	NOUN
cet-3299	23	12	is	be	AUX
cet-3299	23	13	encouraged	encourage	VERB
cet-3299	23	14	providing	provide	VERB
cet-3299	23	15	that	that	SCONJ
cet-3299	23	16	they	they	PRON
cet-3299	23	17	respect	respect	VERB
cet-3299	23	18	the	the	DET
cet-3299	23	19	5	5	NUM
cet-3299	23	20	following	follow	VERB
cet-3299	23	21	principles	principle	NOUN
cet-3299	23	22	for	for	ADP
cet-3299	23	23	the	the	DET
cet-3299	23	24	validation	validation	NOUN
cet-3299	23	25	of	of	ADP
cet-3299	23	26	qspr	qspr	NOUN
cet-3299	23	27	models	model	NOUN
cet-3299	23	28	drawn	draw	VERB
cet-3299	23	29	up	up	ADP
cet-3299	23	30	by	by	ADP
cet-3299	23	31	oecd	oecd	PROPN
cet-3299	23	32	(	(	PUNCT
cet-3299	23	33	2007	2007	NUM
cet-3299	23	34	):	):	PUNCT
cet-3299	23	35	1	1	NUM
cet-3299	23	36	.	.	PUNCT
cet-3299	24	1	the	the	DET
cet-3299	24	2	endpoint	endpoint	NOUN
cet-3299	24	3	must	must	AUX
cet-3299	24	4	be	be	AUX
cet-3299	24	5	defined	define	VERB
cet-3299	24	6	,	,	PUNCT
cet-3299	24	7	including	include	VERB
cet-3299	24	8	experimental	experimental	ADJ
cet-3299	24	9	protocols	protocol	NOUN
cet-3299	24	10	;	;	PUNCT
cet-3299	25	1	2	2	X
cet-3299	25	2	.	.	X
cet-3299	25	3	the	the	DET
cet-3299	25	4	algorithm	algorithm	NOUN
cet-3299	25	5	of	of	ADP
cet-3299	25	6	the	the	DET
cet-3299	25	7	model	model	NOUN
cet-3299	25	8	must	must	AUX
cet-3299	25	9	be	be	AUX
cet-3299	25	10	unambiguous	unambiguous	ADJ
cet-3299	25	11	,	,	PUNCT
cet-3299	25	12	with	with	ADP
cet-3299	25	13	full	full	ADJ
cet-3299	25	14	definition	definition	NOUN
cet-3299	25	15	of	of	ADP
cet-3299	25	16	the	the	DET
cet-3299	25	17	descriptor	descriptor	NOUN
cet-3299	25	18	;	;	PUNCT
cet-3299	25	19	3	3	X
cet-3299	25	20	.	.	X
cet-3299	25	21	its	its	PRON
cet-3299	25	22	applicability	applicability	NOUN
cet-3299	25	23	domain	domain	NOUN
cet-3299	25	24	is	be	AUX
cet-3299	25	25	defined	define	VERB
cet-3299	25	26	;	;	PUNCT
cet-3299	25	27	4	4	X
cet-3299	25	28	.	.	PUNCT
cet-3299	25	29	appropriate	appropriate	ADJ
cet-3299	25	30	measures	measure	NOUN
cet-3299	25	31	of	of	ADP
cet-3299	25	32	goodness	goodness	NOUN
cet-3299	25	33	-	-	PUNCT
cet-3299	25	34	of	of	ADP
cet-3299	25	35	-	-	PUNCT
cet-3299	25	36	fit	fit	ADJ
cet-3299	25	37	,	,	PUNCT
cet-3299	25	38	robustness	robustness	NOUN
cet-3299	25	39	and	and	CCONJ
cet-3299	25	40	predictive	predictive	ADJ
cet-3299	25	41	power	power	NOUN
cet-3299	25	42	are	be	AUX
cet-3299	25	43	provided	provide	VERB
cet-3299	25	44	;	;	PUNCT
cet-3299	25	45	5	5	X
cet-3299	25	46	.	.	X
cet-3299	25	47	if	if	SCONJ
cet-3299	25	48	possible	possible	ADJ
cet-3299	25	49	,	,	PUNCT
cet-3299	25	50	a	a	DET
cet-3299	25	51	mechanistic	mechanistic	ADJ
cet-3299	25	52	interpretation	interpretation	NOUN
cet-3299	25	53	is	be	AUX
cet-3299	25	54	proposed	propose	VERB
cet-3299	25	55	.	.	PUNCT
cet-3299	26	1	the	the	DET
cet-3299	26	2	fourth	fourth	ADJ
cet-3299	26	3	oecd	oecd	PROPN
cet-3299	26	4	principle	principle	NOUN
cet-3299	26	5	requires	require	VERB
cet-3299	26	6	appropriate	appropriate	ADJ
cet-3299	26	7	measures	measure	NOUN
cet-3299	26	8	of	of	ADP
cet-3299	26	9	performances	performance	NOUN
cet-3299	26	10	by	by	ADP
cet-3299	26	11	a	a	DET
cet-3299	26	12	series	series	NOUN
cet-3299	26	13	of	of	ADP
cet-3299	26	14	internal	internal	ADJ
cet-3299	26	15	and	and	CCONJ
cet-3299	26	16	external	external	ADJ
cet-3299	26	17	validations	validation	NOUN
cet-3299	26	18	(	(	PUNCT
cet-3299	26	19	gramatica	gramatica	NOUN
cet-3299	26	20	,	,	PUNCT
cet-3299	26	21	2007	2007	NUM
cet-3299	26	22	)	)	PUNCT
cet-3299	26	23	.	.	PUNCT
cet-3299	27	1	the	the	PRON
cet-3299	27	2	goodness	goodness	NOUN
cet-3299	27	3	-	-	PUNCT
cet-3299	27	4	of	of	ADP
cet-3299	27	5	-	-	PUNCT
cet-3299	27	6	fit	fit	NOUN
cet-3299	27	7	is	be	AUX
cet-3299	27	8	measured	measure	VERB
cet-3299	27	9	by	by	ADP
cet-3299	27	10	the	the	DET
cet-3299	27	11	determination	determination	NOUN
cet-3299	27	12	coefficient	coefficient	NOUN
cet-3299	27	13	r²	r²	NOUN
cet-3299	27	14	and	and	CCONJ
cet-3299	27	15	the	the	DET
cet-3299	27	16	root	root	NOUN
cet-3299	27	17	mean	mean	VERB
cet-3299	27	18	square	square	ADJ
cet-3299	27	19	error	error	NOUN
cet-3299	27	20	(	(	PUNCT
cet-3299	27	21	rmse	rmse	NOUN
cet-3299	27	22	)	)	PUNCT
cet-3299	27	23	between	between	ADP
cet-3299	27	24	predicted	predict	VERB
cet-3299	27	25	and	and	CCONJ
cet-3299	27	26	experimental	experimental	ADJ
cet-3299	27	27	values	value	NOUN
cet-3299	27	28	.	.	PUNCT
cet-3299	28	1	for	for	ADP
cet-3299	28	2	robustness	robustness	NOUN
cet-3299	28	3	and	and	CCONJ
cet-3299	28	4	chance	chance	NOUN
cet-3299	28	5	,	,	PUNCT
cet-3299	28	6	the	the	DET
cet-3299	28	7	q2	q2	NOUN
cet-3299	28	8	coefficients	coefficient	NOUN
cet-3299	28	9	issued	issue	VERB
cet-3299	28	10	from	from	ADP
cet-3299	28	11	leave	leave	VERB
cet-3299	28	12	-	-	PUNCT
cet-3299	28	13	one	one	NUM
cet-3299	28	14	-	-	PUNCT
cet-3299	28	15	out	out	NOUN
cet-3299	28	16	(	(	PUNCT
cet-3299	28	17	loo	loo	NOUN
cet-3299	28	18	)	)	PUNCT
cet-3299	28	19	and	and	CCONJ
cet-3299	28	20	leave	leave	VERB
cet-3299	28	21	-	-	PUNCT
cet-3299	28	22	many	many	ADJ
cet-3299	28	23	-	-	PUNCT
cet-3299	28	24	out	out	ADP
cet-3299	28	25	(	(	PUNCT
cet-3299	28	26	lmo	lmo	PROPN
cet-3299	28	27	)	)	PUNCT
cet-3299	28	28	cross	cros	NOUN
cet-3299	28	29	-	-	NOUN
cet-3299	28	30	validations	validation	NOUN
cet-3299	28	31	are	be	AUX
cet-3299	28	32	computed	compute	VERB
cet-3299	28	33	.	.	PUNCT
cet-3299	29	1	y	y	X
cet-3299	29	2	-	-	PUNCT
cet-3299	29	3	randomization	randomization	NOUN
cet-3299	29	4	aims	aim	VERB
cet-3299	29	5	to	to	PART
cet-3299	29	6	ensure	ensure	VERB
cet-3299	29	7	against	against	ADP
cet-3299	29	8	chance	chance	NOUN
cet-3299	29	9	correlation	correlation	NOUN
cet-3299	29	10	by	by	ADP
cet-3299	29	11	checking	check	VERB
cet-3299	29	12	that	that	SCONJ
cet-3299	29	13	models	model	NOUN
cet-3299	29	14	issues	issue	NOUN
cet-3299	29	15	from	from	ADP
cet-3299	29	16	erroneous	erroneous	ADJ
cet-3299	29	17	randomized	randomized	ADJ
cet-3299	29	18	property	property	NOUN
cet-3299	29	19	values	value	NOUN
cet-3299	29	20	give	give	VERB
cet-3299	29	21	low	low	ADJ
cet-3299	29	22	mean	mean	NOUN
cet-3299	29	23	values	value	NOUN
cet-3299	29	24	and	and	CCONJ
cet-3299	29	25	standards	standard	NOUN
cet-3299	29	26	deviation	deviation	NOUN
cet-3299	29	27	in	in	ADP
cet-3299	29	28	r²	r²	NOUN
cet-3299	29	29	(	(	PUNCT
cet-3299	29	30	denoted	denote	VERB
cet-3299	29	31	r²ys	r²ys	PUNCT
cet-3299	29	32	and	and	CCONJ
cet-3299	29	33	sdys	sdys	ADJ
cet-3299	29	34	,	,	PUNCT
cet-3299	29	35	respectively	respectively	ADV
cet-3299	29	36	)	)	PUNCT
cet-3299	29	37	.	.	PUNCT
cet-3299	30	1	then	then	ADV
cet-3299	30	2	the	the	DET
cet-3299	30	3	predictive	predictive	ADJ
cet-3299	30	4	power	power	NOUN
cet-3299	30	5	of	of	ADP
cet-3299	30	6	models	model	NOUN
cet-3299	30	7	is	be	AUX
cet-3299	30	8	evaluated	evaluate	VERB
cet-3299	30	9	on	on	ADP
cet-3299	30	10	an	an	DET
cet-3299	30	11	external	external	ADJ
cet-3299	30	12	validation	validation	NOUN
cet-3299	30	13	set	set	NOUN
cet-3299	30	14	of	of	ADP
cet-3299	30	15	compounds	compound	NOUN
cet-3299	30	16	by	by	ADP
cet-3299	30	17	a	a	DET
cet-3299	30	18	series	series	NOUN
cet-3299	30	19	of	of	ADP
cet-3299	30	20	coefficients	coefficient	NOUN
cet-3299	30	21	(	(	PUNCT
cet-3299	30	22	chirico	chirico	PROPN
cet-3299	30	23	and	and	CCONJ
cet-3299	30	24	gramatica	gramatica	PROPN
cet-3299	30	25	,	,	PUNCT
cet-3299	30	26	2012	2012	NUM
cet-3299	30	27	):	):	PUNCT
cet-3299	30	28	r²ext	r²ext	ADJ
cet-3299	30	29	,	,	PUNCT
cet-3299	30	30	rmseext	rmseext	NOUN
cet-3299	30	31	,	,	PUNCT
cet-3299	30	32	q²f1	q²f1	NOUN
cet-3299	30	33	,	,	PUNCT
cet-3299	30	34	q²f2	q²f2	PROPN
cet-3299	30	35	,	,	PUNCT
cet-3299	30	36	q²f3	q²f3	PROPN
cet-3299	30	37	and	and	CCONJ
cet-3299	30	38	ccc	ccc	PROPN
cet-3299	30	39	.	.	PUNCT
cet-3299	31	1	the	the	DET
cet-3299	31	2	applicability	applicability	NOUN
cet-3299	31	3	domain	domain	NOUN
cet-3299	31	4	(	(	PUNCT
cet-3299	31	5	ad	ad	NOUN
cet-3299	31	6	)	)	PUNCT
cet-3299	31	7	required	require	VERB
cet-3299	31	8	by	by	ADP
cet-3299	31	9	the	the	DET
cet-3299	31	10	third	third	ADJ
cet-3299	31	11	oecd	oecd	PROPN
cet-3299	31	12	principle	principle	NOUN
cet-3299	31	13	i.e.	i.e.	X
cet-3299	31	14	the	the	DET
cet-3299	31	15	domain	domain	NOUN
cet-3299	31	16	in	in	ADP
cet-3299	31	17	which	which	PRON
cet-3299	31	18	predictions	prediction	NOUN
cet-3299	31	19	can	can	AUX
cet-3299	31	20	be	be	AUX
cet-3299	31	21	considered	consider	VERB
cet-3299	31	22	as	as	ADP
cet-3299	31	23	accurate	accurate	ADJ
cet-3299	31	24	,	,	PUNCT
cet-3299	31	25	was	be	AUX
cet-3299	31	26	defined	define	VERB
cet-3299	31	27	by	by	ADP
cet-3299	31	28	the	the	DET
cet-3299	31	29	molecules	molecule	NOUN
cet-3299	31	30	of	of	ADP
cet-3299	31	31	the	the	DET
cet-3299	31	32	training	training	NOUN
cet-3299	31	33	set	set	NOUN
cet-3299	31	34	.	.	PUNCT
cet-3299	32	1	two	two	NUM
cet-3299	32	2	methods	method	NOUN
cet-3299	32	3	were	be	AUX
cet-3299	32	4	used	use	VERB
cet-3299	32	5	.	.	PUNCT
cet-3299	33	1	euclidean	euclidean	ADJ
cet-3299	33	2	distance	distance	NOUN
cet-3299	33	3	method	method	NOUN
cet-3299	33	4	available	available	ADJ
cet-3299	33	5	in	in	ADP
cet-3299	33	6	ambit	ambit	NOUN
cet-3299	33	7	discovery	discovery	NOUN
cet-3299	33	8	software	software	NOUN
cet-3299	33	9	(	(	PUNCT
cet-3299	33	10	jeliazkova	jeliazkova	PROPN
cet-3299	33	11	,	,	PUNCT
cet-3299	33	12	2007	2007	NUM
cet-3299	33	13	)	)	PUNCT
cet-3299	33	14	was	be	AUX
cet-3299	33	15	used	use	VERB
cet-3299	33	16	with	with	ADP
cet-3299	33	17	a	a	DET
cet-3299	33	18	95	95	NUM
cet-3299	33	19	%	%	NOUN
cet-3299	33	20	threshold	threshold	NOUN
cet-3299	33	21	,	,	PUNCT
cet-3299	33	22	i.e.	i.e.	X
cet-3299	33	23	the	the	DET
cet-3299	33	24	domain	domain	NOUN
cet-3299	33	25	was	be	AUX
cet-3299	33	26	calculated	calculate	VERB
cet-3299	33	27	to	to	PART
cet-3299	33	28	contain	contain	VERB
cet-3299	33	29	95	95	NUM
cet-3299	33	30	%	%	NOUN
cet-3299	33	31	of	of	ADP
cet-3299	33	32	the	the	DET
cet-3299	33	33	molecules	molecule	NOUN
cet-3299	33	34	of	of	ADP
cet-3299	33	35	the	the	DET
cet-3299	33	36	training	training	NOUN
cet-3299	33	37	set	set	NOUN
cet-3299	33	38	.	.	PUNCT
cet-3299	34	1	a	a	DET
cet-3299	34	2	simplest	simple	ADJ
cet-3299	34	3	method	method	NOUN
cet-3299	34	4	to	to	PART
cet-3299	34	5	define	define	VERB
cet-3299	34	6	ad	ad	NOUN
cet-3299	34	7	was	be	AUX
cet-3299	34	8	used	use	VERB
cet-3299	34	9	consisting	consist	VERB
cet-3299	34	10	in	in	ADP
cet-3299	34	11	defining	define	VERB
cet-3299	34	12	ranges	range	NOUN
cet-3299	34	13	of	of	ADP
cet-3299	34	14	values	value	NOUN
cet-3299	34	15	of	of	ADP
cet-3299	34	16	properties	property	NOUN
cet-3299	34	17	and	and	CCONJ
cet-3299	34	18	descriptors	descriptor	NOUN
cet-3299	34	19	(	(	PUNCT
cet-3299	34	20	for	for	ADP
cet-3299	34	21	those	those	PRON
cet-3299	34	22	included	include	VERB
cet-3299	34	23	into	into	ADP
cet-3299	34	24	the	the	DET
cet-3299	34	25	model	model	NOUN
cet-3299	34	26	)	)	PUNCT
cet-3299	34	27	in	in	ADP
cet-3299	34	28	the	the	DET
cet-3299	34	29	training	training	NOUN
cet-3299	34	30	set	set	NOUN
cet-3299	34	31	.	.	PUNCT
cet-3299	35	1	then	then	ADV
cet-3299	35	2	,	,	PUNCT
cet-3299	35	3	the	the	DET
cet-3299	35	4	performances	performance	NOUN
cet-3299	35	5	inside	inside	ADP
cet-3299	35	6	the	the	DET
cet-3299	35	7	ad	ad	NOUN
cet-3299	35	8	were	be	AUX
cet-3299	35	9	also	also	ADV
cet-3299	35	10	calculated	calculate	VERB
cet-3299	35	11	based	base	VERB
cet-3299	35	12	only	only	ADV
cet-3299	35	13	on	on	ADP
cet-3299	35	14	the	the	DET
cet-3299	35	15	molecules	molecule	NOUN
cet-3299	35	16	of	of	ADP
cet-3299	35	17	the	the	DET
cet-3299	35	18	validation	validation	NOUN
cet-3299	35	19	set	set	NOUN
cet-3299	35	20	that	that	PRON
cet-3299	35	21	belonged	belong	VERB
cet-3299	35	22	to	to	ADP
cet-3299	35	23	this	this	DET
cet-3299	35	24	domain	domain	NOUN
cet-3299	35	25	using	use	VERB
cet-3299	35	26	coefficients	coefficient	NOUN
cet-3299	35	27	previously	previously	ADV
cet-3299	35	28	presented	present	VERB
cet-3299	35	29	(	(	PUNCT
cet-3299	35	30	r²in	r²in	PUNCT
cet-3299	35	31	and	and	CCONJ
cet-3299	35	32	rmsein	rmsein	NOUN
cet-3299	35	33	)	)	PUNCT
cet-3299	35	34	.	.	PUNCT
cet-3299	36	1	1.2	1.2	NUM
cet-3299	36	2	existing	exist	VERB
cet-3299	36	3	qspr	qspr	NOUN
cet-3299	36	4	models	model	NOUN
cet-3299	36	5	for	for	ADP
cet-3299	36	6	hazardous	hazardous	ADJ
cet-3299	36	7	physico	physico	NOUN
cet-3299	36	8	-	-	PUNCT
cet-3299	36	9	chemical	chemical	NOUN
cet-3299	36	10	properties	property	NOUN
cet-3299	36	11	and	and	CCONJ
cet-3299	36	12	overview	overview	NOUN
cet-3299	36	13	of	of	ADP
cet-3299	36	14	models	model	NOUN
cet-3299	36	15	developed	develop	VERB
cet-3299	36	16	by	by	ADP
cet-3299	36	17	ineris	ineris	NOUN
cet-3299	36	18	qspr	qspr	NOUN
cet-3299	36	19	models	model	NOUN
cet-3299	36	20	represent	represent	VERB
cet-3299	36	21	powerful	powerful	ADJ
cet-3299	36	22	tools	tool	NOUN
cet-3299	36	23	already	already	ADV
cet-3299	36	24	used	use	VERB
cet-3299	36	25	for	for	ADP
cet-3299	36	26	biological	biological	ADJ
cet-3299	36	27	,	,	PUNCT
cet-3299	36	28	toxicological	toxicological	ADJ
cet-3299	36	29	,	,	PUNCT
cet-3299	36	30	pharmaceutical	pharmaceutical	ADJ
cet-3299	36	31	and	and	CCONJ
cet-3299	36	32	physicochemical	physicochemical	ADJ
cet-3299	36	33	applications	application	NOUN
cet-3299	36	34	(	(	PUNCT
cet-3299	36	35	katritzky	katritzky	X
cet-3299	36	36	,	,	PUNCT
cet-3299	36	37	2010	2010	NUM
cet-3299	36	38	)	)	PUNCT
cet-3299	36	39	but	but	CCONJ
cet-3299	36	40	also	also	ADV
cet-3299	36	41	for	for	ADP
cet-3299	36	42	hazardous	hazardous	ADJ
cet-3299	36	43	substances	substance	NOUN
cet-3299	36	44	linked	link	VERB
cet-3299	36	45	to	to	ADP
cet-3299	36	46	the	the	DET
cet-3299	36	47	reach	reach	NOUN
cet-3299	36	48	regulation	regulation	NOUN
cet-3299	36	49	(	(	PUNCT
cet-3299	36	50	dearden	dearden	ADJ
cet-3299	36	51	,	,	PUNCT
cet-3299	36	52	2013	2013	NUM
cet-3299	36	53	)	)	PUNCT
cet-3299	36	54	.	.	PUNCT
cet-3299	37	1	this	this	DET
cet-3299	37	2	last	last	ADJ
cet-3299	37	3	review	review	NOUN
cet-3299	37	4	indicated	indicate	VERB
cet-3299	37	5	that	that	SCONJ
cet-3299	37	6	if	if	SCONJ
cet-3299	37	7	a	a	DET
cet-3299	37	8	lot	lot	NOUN
cet-3299	37	9	of	of	ADP
cet-3299	37	10	qspr	qspr	NOUN
cet-3299	37	11	models	model	NOUN
cet-3299	37	12	have	have	AUX
cet-3299	37	13	been	be	AUX
cet-3299	37	14	developed	develop	VERB
cet-3299	37	15	for	for	ADP
cet-3299	37	16	decades	decade	NOUN
cet-3299	37	17	considering	consider	VERB
cet-3299	37	18	physico	physico	NOUN
cet-3299	37	19	-	-	PUNCT
cet-3299	37	20	chemical	chemical	NOUN
cet-3299	37	21	properties	property	NOUN
cet-3299	37	22	,	,	PUNCT
cet-3299	37	23	few	few	ADJ
cet-3299	37	24	of	of	ADP
cet-3299	37	25	them	they	PRON
cet-3299	37	26	were	be	AUX
cet-3299	37	27	developed	develop	VERB
cet-3299	37	28	according	accord	VERB
cet-3299	37	29	to	to	ADP
cet-3299	37	30	oecd	oecd	PROPN
cet-3299	37	31	validation	validation	NOUN
cet-3299	37	32	principles	principle	NOUN
cet-3299	37	33	allowing	allow	VERB
cet-3299	37	34	their	their	PRON
cet-3299	37	35	used	use	VERB
cet-3299	37	36	in	in	ADP
cet-3299	37	37	regulations	regulation	NOUN
cet-3299	37	38	related	relate	VERB
cet-3299	37	39	to	to	ADP
cet-3299	37	40	chemicals	chemical	NOUN
cet-3299	37	41	.	.	PUNCT
cet-3299	38	1	indeed	indeed	ADV
cet-3299	38	2	,	,	PUNCT
cet-3299	38	3	if	if	SCONJ
cet-3299	38	4	we	we	PRON
cet-3299	38	5	consider	consider	VERB
cet-3299	38	6	hazardous	hazardous	ADJ
cet-3299	38	7	physico	physico	NOUN
cet-3299	38	8	-	-	PUNCT
cet-3299	38	9	chemical	chemical	NOUN
cet-3299	38	10	properties	property	NOUN
cet-3299	38	11	,	,	PUNCT
cet-3299	38	12	only	only	ADV
cet-3299	38	13	one	one	NUM
cet-3299	38	14	part	part	NOUN
cet-3299	38	15	of	of	ADP
cet-3299	38	16	them	they	PRON
cet-3299	38	17	are	be	AUX
cet-3299	38	18	considered	consider	VERB
cet-3299	38	19	with	with	ADP
cet-3299	38	20	validated	validate	VERB
cet-3299	38	21	qspr	qspr	NOUN
cet-3299	38	22	models	model	NOUN
cet-3299	38	23	such	such	ADJ
cet-3299	38	24	as	as	ADP
cet-3299	38	25	explosive	explosive	ADJ
cet-3299	38	26	substances	substance	NOUN
cet-3299	38	27	,	,	PUNCT
cet-3299	38	28	flammable	flammable	ADJ
cet-3299	38	29	gases	gas	NOUN
cet-3299	38	30	and	and	CCONJ
cet-3299	38	31	liquids	liquid	NOUN
cet-3299	38	32	and	and	CCONJ
cet-3299	38	33	organic	organic	ADJ
cet-3299	38	34	peroxides	peroxide	NOUN
cet-3299	38	35	.	.	PUNCT
cet-3299	39	1	for	for	ADP
cet-3299	39	2	some	some	DET
cet-3299	39	3	others	other	NOUN
cet-3299	39	4	like	like	ADP
cet-3299	39	5	oxidizing	oxidize	VERB
cet-3299	39	6	properties	property	NOUN
cet-3299	39	7	,	,	PUNCT
cet-3299	39	8	no	no	DET
cet-3299	39	9	qspr	qspr	NOUN
cet-3299	39	10	models	model	NOUN
cet-3299	39	11	exists	exist	VERB
cet-3299	39	12	due	due	ADJ
cet-3299	39	13	to	to	ADP
cet-3299	39	14	the	the	DET
cet-3299	39	15	lack	lack	NOUN
cet-3299	39	16	of	of	ADP
cet-3299	39	17	available	available	ADJ
cet-3299	39	18	data	datum	NOUN
cet-3299	39	19	and/or	and/or	CCONJ
cet-3299	39	20	the	the	DET
cet-3299	39	21	nature	nature	NOUN
cet-3299	39	22	of	of	ADP
cet-3299	39	23	the	the	DET
cet-3299	39	24	test	test	NOUN
cet-3299	39	25	that	that	PRON
cet-3299	39	26	give	give	VERB
cet-3299	39	27	qualitative	qualitative	NOUN
cet-3299	39	28	(	(	PUNCT
cet-3299	39	29	yes	yes	INTJ
cet-3299	39	30	/	/	SYM
cet-3299	39	31	no	no	NOUN
cet-3299	39	32	)	)	PUNCT
cet-3299	39	33	result	result	NOUN
cet-3299	39	34	.	.	PUNCT
cet-3299	40	1	upon	upon	SCONJ
cet-3299	40	2	the	the	DET
cet-3299	40	3	type	type	NOUN
cet-3299	40	4	of	of	ADP
cet-3299	40	5	descriptors	descriptor	NOUN
cet-3299	40	6	and	and	CCONJ
cet-3299	40	7	the	the	DET
cet-3299	40	8	type	type	NOUN
cet-3299	40	9	of	of	ADP
cet-3299	40	10	data	datum	NOUN
cet-3299	40	11	mining	mining	NOUN
cet-3299	40	12	tools	tool	NOUN
cet-3299	40	13	,	,	PUNCT
cet-3299	40	14	ineris	ineris	NOUN
cet-3299	40	15	developed	develop	VERB
cet-3299	40	16	more	more	ADJ
cet-3299	40	17	than	than	ADP
cet-3299	40	18	forty	forty	NUM
cet-3299	40	19	qspr	qspr	NOUN
cet-3299	40	20	models	model	NOUN
cet-3299	40	21	dedicated	dedicate	VERB
cet-3299	40	22	to	to	ADP
cet-3299	40	23	various	various	ADJ
cet-3299	40	24	substances	substance	NOUN
cet-3299	40	25	and	and	CCONJ
cet-3299	40	26	hazardous	hazardous	ADJ
cet-3299	40	27	properties	property	NOUN
cet-3299	40	28	(	(	PUNCT
cet-3299	40	29	see	see	VERB
cet-3299	40	30	figure	figure	NOUN
cet-3299	40	31	1	1	NUM
cet-3299	40	32	and	and	CCONJ
cet-3299	40	33	table	table	NOUN
cet-3299	40	34	1	1	NUM
cet-3299	40	35	for	for	ADP
cet-3299	40	36	performances	performance	NOUN
cet-3299	40	37	)	)	PUNCT
cet-3299	40	38	.	.	PUNCT
cet-3299	41	1	substances	substance	NOUN
cet-3299	41	2	and	and	CCONJ
cet-3299	41	3	properties	property	NOUN
cet-3299	41	4	were	be	AUX
cet-3299	41	5	chosen	choose	VERB
cet-3299	41	6	according	accord	VERB
cet-3299	41	7	to	to	ADP
cet-3299	41	8	a	a	DET
cet-3299	41	9	detailed	detailed	ADJ
cet-3299	41	10	examination	examination	NOUN
cet-3299	41	11	of	of	ADP
cet-3299	41	12	the	the	DET
cet-3299	41	13	literature	literature	NOUN
cet-3299	41	14	considering	consider	VERB
cet-3299	41	15	existing	exist	VERB
cet-3299	41	16	qspr	qspr	NOUN
cet-3299	41	17	models	model	NOUN
cet-3299	41	18	for	for	ADP
cet-3299	41	19	reach	reach	NOUN
cet-3299	41	20	regulation	regulation	NOUN
cet-3299	41	21	(	(	PUNCT
cet-3299	41	22	that	that	PRON
cet-3299	41	23	has	have	AUX
cet-3299	41	24	put	put	VERB
cet-3299	41	25	in	in	ADP
cet-3299	41	26	evidence	evidence	NOUN
cet-3299	41	27	for	for	ADP
cet-3299	41	28	example	example	NOUN
cet-3299	41	29	,	,	PUNCT
cet-3299	41	30	a	a	DET
cet-3299	41	31	lack	lack	NOUN
cet-3299	41	32	of	of	ADP
cet-3299	41	33	data	datum	NOUN
cet-3299	41	34	and	and	CCONJ
cet-3299	41	35	models	model	NOUN
cet-3299	41	36	for	for	ADP
cet-3299	41	37	organic	organic	ADJ
cet-3299	41	38	peroxides	peroxide	NOUN
cet-3299	41	39	)	)	PUNCT
cet-3299	41	40	and	and	CCONJ
cet-3299	41	41	considering	consider	VERB
cet-3299	41	42	that	that	DET
cet-3299	41	43	ineris	ineris	NOUN
cet-3299	41	44	is	be	AUX
cet-3299	41	45	an	an	DET
cet-3299	41	46	expert	expert	NOUN
cet-3299	41	47	in	in	ADP
cet-3299	41	48	the	the	DET
cet-3299	41	49	experimental	experimental	ADJ
cet-3299	41	50	characterization	characterization	NOUN
cet-3299	41	51	of	of	ADP
cet-3299	41	52	explosives	explosive	NOUN
cet-3299	41	53	.	.	PUNCT
cet-3299	42	1	as	as	SCONJ
cet-3299	42	2	these	these	DET
cet-3299	42	3	properties	property	NOUN
cet-3299	42	4	are	be	AUX
cet-3299	42	5	used	use	VERB
cet-3299	42	6	in	in	ADP
cet-3299	42	7	regulatory	regulatory	ADJ
cet-3299	42	8	frameworks	framework	NOUN
cet-3299	42	9	(	(	PUNCT
cet-3299	42	10	e.g.	e.g.	ADV
cet-3299	42	11	for	for	ADP
cet-3299	42	12	the	the	DET
cet-3299	42	13	transport	transport	NOUN
cet-3299	42	14	of	of	ADP
cet-3299	42	15	dangerous	dangerous	ADJ
cet-3299	42	16	goods	good	NOUN
cet-3299	42	17	(	(	PUNCT
cet-3299	42	18	2011	2011	NUM
cet-3299	42	19	)	)	PUNCT
cet-3299	42	20	or	or	CCONJ
cet-3299	42	21	for	for	ADP
cet-3299	42	22	the	the	DET
cet-3299	42	23	reach	reach	NOUN
cet-3299	42	24	registration	registration	NOUN
cet-3299	42	25	of	of	ADP
cet-3299	42	26	chemicals	chemical	NOUN
cet-3299	42	27	)	)	PUNCT
cet-3299	42	28	,	,	PUNCT
cet-3299	42	29	models	model	NOUN
cet-3299	42	30	were	be	AUX
cet-3299	42	31	developed	develop	VERB
cet-3299	42	32	in	in	ADP
cet-3299	42	33	agreement	agreement	NOUN
cet-3299	42	34	with	with	ADP
cet-3299	42	35	the	the	DET
cet-3299	42	36	oecd	oecd	PROPN
cet-3299	42	37	principles	principle	NOUN
cet-3299	42	38	of	of	ADP
cet-3299	42	39	validation	validation	NOUN
cet-3299	42	40	.	.	PUNCT
cet-3299	43	1	all	all	DET
cet-3299	43	2	these	these	DET
cet-3299	43	3	models	model	NOUN
cet-3299	43	4	were	be	AUX
cet-3299	43	5	published	publish	VERB
cet-3299	43	6	in	in	ADP
cet-3299	43	7	international	international	ADJ
cet-3299	43	8	papers	paper	NOUN
cet-3299	43	9	and	and	CCONJ
cet-3299	43	10	are	be	AUX
cet-3299	43	11	easily	easily	ADV
cet-3299	43	12	accessible	accessible	ADJ
cet-3299	43	13	.	.	PUNCT
cet-3299	44	1	it	it	PRON
cet-3299	44	2	’s	’	VERB
cet-3299	44	3	interesting	interesting	ADJ
cet-3299	44	4	to	to	PART
cet-3299	44	5	note	note	VERB
cet-3299	44	6	that	that	SCONJ
cet-3299	44	7	for	for	ADP
cet-3299	44	8	one	one	NUM
cet-3299	44	9	property	property	NOUN
cet-3299	44	10	,	,	PUNCT
cet-3299	44	11	various	various	ADJ
cet-3299	44	12	models	model	NOUN
cet-3299	44	13	were	be	AUX
cet-3299	44	14	developed	develop	VERB
cet-3299	44	15	considering	consider	VERB
cet-3299	44	16	all	all	DET
cet-3299	44	17	types	type	NOUN
cet-3299	44	18	of	of	ADP
cet-3299	44	19	descriptors	descriptor	NOUN
cet-3299	44	20	(	(	PUNCT
cet-3299	44	21	including	include	VERB
cet-3299	44	22	quantum	quantum	ADJ
cet-3299	44	23	chemical	chemical	NOUN
cet-3299	44	24	ones	one	NOUN
cet-3299	44	25	)	)	PUNCT
cet-3299	44	26	or	or	CCONJ
cet-3299	44	27	only	only	ADV
cet-3299	44	28	simple	simple	ADJ
cet-3299	44	29	descriptors	descriptor	NOUN
cet-3299	44	30	(	(	PUNCT
cet-3299	44	31	such	such	ADJ
cet-3299	44	32	as	as	ADP
cet-3299	44	33	constitutional	constitutional	ADJ
cet-3299	44	34	and	and	CCONJ
cet-3299	44	35	topologic	topologic	ADJ
cet-3299	44	36	)	)	PUNCT
cet-3299	44	37	depending	depend	VERB
cet-3299	44	38	on	on	ADP
cet-3299	44	39	the	the	DET
cet-3299	44	40	expected	expect	VERB
cet-3299	44	41	use	use	NOUN
cet-3299	44	42	of	of	ADP
cet-3299	44	43	the	the	DET
cet-3299	44	44	model	model	NOUN
cet-3299	44	45	.	.	PUNCT
cet-3299	45	1	indeed	indeed	ADV
cet-3299	45	2	,	,	PUNCT
cet-3299	45	3	one	one	PRON
cet-3299	45	4	can	can	AUX
cet-3299	45	5	prefer	prefer	VERB
cet-3299	45	6	to	to	PART
cet-3299	45	7	use	use	VERB
cet-3299	45	8	a	a	DET
cet-3299	45	9	fast	fast	ADJ
cet-3299	45	10	and	and	CCONJ
cet-3299	45	11	easy	easy	ADJ
cet-3299	45	12	model	model	NOUN
cet-3299	45	13	for	for	ADP
cet-3299	45	14	screening	screen	VERB
cet-3299	45	15	purpose	purpose	NOUN
cet-3299	45	16	without	without	ADP
cet-3299	45	17	any	any	DET
cet-3299	45	18	expert	expert	ADJ
cet-3299	45	19	knowledge	knowledge	NOUN
cet-3299	45	20	needed	need	VERB
cet-3299	45	21	or	or	CCONJ
cet-3299	45	22	to	to	PART
cet-3299	45	23	use	use	VERB
cet-3299	45	24	more	more	ADJ
cet-3299	45	25	complex	complex	ADJ
cet-3299	45	26	model	model	NOUN
cet-3299	45	27	needed	need	VERB
cet-3299	45	28	prior	prior	ADJ
cet-3299	45	29	quantum	quantum	ADJ
cet-3299	45	30	chemical	chemical	NOUN
cet-3299	45	31	calculations	calculation	NOUN
cet-3299	45	32	(	(	PUNCT
cet-3299	45	33	sometimes	sometimes	ADV
cet-3299	45	34	more	more	ADV
cet-3299	45	35	accurate	accurate	ADJ
cet-3299	45	36	than	than	ADP
cet-3299	45	37	other	other	ADJ
cet-3299	45	38	ones	one	NOUN
cet-3299	45	39	)	)	PUNCT
cet-3299	45	40	to	to	PART
cet-3299	45	41	better	well	ADV
cet-3299	45	42	understand	understand	VERB
cet-3299	45	43	involved	involved	ADJ
cet-3299	45	44	mechanisms	mechanism	NOUN
cet-3299	45	45	.	.	PUNCT
cet-3299	46	1	these	these	DET
cet-3299	46	2	models	model	NOUN
cet-3299	46	3	are	be	AUX
cet-3299	46	4	complementary	complementary	ADJ
cet-3299	46	5	one	one	NUM
cet-3299	46	6	to	to	ADP
cet-3299	46	7	each	each	DET
cet-3299	46	8	other	other	ADJ
cet-3299	46	9	and	and	CCONJ
cet-3299	46	10	can	can	AUX
cet-3299	46	11	be	be	AUX
cet-3299	46	12	used	use	VERB
cet-3299	46	13	in	in	ADP
cet-3299	46	14	a	a	DET
cet-3299	46	15	prediction	prediction	NOUN
cet-3299	46	16	process	process	NOUN
cet-3299	46	17	into	into	ADP
cet-3299	46	18	a	a	DET
cet-3299	46	19	consensus	consensus	NOUN
cet-3299	46	20	approach	approach	NOUN
cet-3299	46	21	.	.	PUNCT
cet-3299	47	1	80	80	NUM
cet-3299	47	2	figure	figure	NOUN
cet-3299	47	3	1	1	NUM
cet-3299	47	4	:	:	PUNCT
cet-3299	47	5	scope	scope	NOUN
cet-3299	47	6	of	of	ADP
cet-3299	47	7	qspr	qspr	NOUN
cet-3299	47	8	models	model	NOUN
cet-3299	47	9	developed	develop	VERB
cet-3299	47	10	at	at	ADP
cet-3299	47	11	ineris	ineris	NOUN
cet-3299	47	12	it	it	PRON
cet-3299	47	13	’s	’	VERB
cet-3299	47	14	worth	worth	ADJ
cet-3299	47	15	noting	note	VERB
cet-3299	47	16	that	that	SCONJ
cet-3299	47	17	most	most	ADJ
cet-3299	47	18	of	of	ADP
cet-3299	47	19	models	model	NOUN
cet-3299	47	20	were	be	AUX
cet-3299	47	21	developed	develop	VERB
cet-3299	47	22	for	for	ADP
cet-3299	47	23	pure	pure	ADJ
cet-3299	47	24	compounds	compound	NOUN
cet-3299	47	25	.	.	PUNCT
cet-3299	48	1	only	only	ADV
cet-3299	48	2	recently	recently	ADV
cet-3299	48	3	,	,	PUNCT
cet-3299	48	4	ineris	ineris	ADJ
cet-3299	48	5	proposed	propose	VERB
cet-3299	48	6	predictions	prediction	NOUN
cet-3299	48	7	for	for	ADP
cet-3299	48	8	the	the	DET
cet-3299	48	9	properties	property	NOUN
cet-3299	48	10	of	of	ADP
cet-3299	48	11	mixtures	mixture	NOUN
cet-3299	48	12	,	,	PUNCT
cet-3299	48	13	in	in	ADP
cet-3299	48	14	particular	particular	ADJ
cet-3299	48	15	for	for	ADP
cet-3299	48	16	the	the	DET
cet-3299	48	17	flash	flash	NOUN
cet-3299	48	18	points	point	NOUN
cet-3299	48	19	of	of	ADP
cet-3299	48	20	organic	organic	ADJ
cet-3299	48	21	liquid	liquid	ADJ
cet-3299	48	22	mixtures	mixture	NOUN
cet-3299	48	23	(	(	PUNCT
cet-3299	48	24	due	due	ADP
cet-3299	48	25	to	to	ADP
cet-3299	48	26	the	the	DET
cet-3299	48	27	important	important	ADJ
cet-3299	48	28	number	number	NOUN
cet-3299	48	29	of	of	ADP
cet-3299	48	30	data	datum	NOUN
cet-3299	48	31	available	available	ADJ
cet-3299	48	32	in	in	ADP
cet-3299	48	33	literature	literature	NOUN
cet-3299	48	34	for	for	ADP
cet-3299	48	35	such	such	ADJ
cet-3299	48	36	development	development	NOUN
cet-3299	48	37	)	)	PUNCT
cet-3299	48	38	.	.	PUNCT
cet-3299	49	1	a	a	DET
cet-3299	49	2	first	first	ADJ
cet-3299	49	3	approach	approach	NOUN
cet-3299	49	4	consisted	consist	VERB
cet-3299	49	5	in	in	ADP
cet-3299	49	6	including	include	VERB
cet-3299	49	7	qspr	qspr	NOUN
cet-3299	49	8	models	model	NOUN
cet-3299	49	9	to	to	PART
cet-3299	49	10	provide	provide	VERB
cet-3299	49	11	predictions	prediction	NOUN
cet-3299	49	12	on	on	ADP
cet-3299	49	13	pure	pure	ADJ
cet-3299	49	14	compounds	compound	NOUN
cet-3299	49	15	in	in	ADP
cet-3299	49	16	existing	exist	VERB
cet-3299	49	17	mixing	mixing	NOUN
cet-3299	49	18	rules	rule	NOUN
cet-3299	49	19	(	(	PUNCT
cet-3299	49	20	gaudin	gaudin	NOUN
cet-3299	49	21	et	et	NOUN
cet-3299	49	22	al	al	PROPN
cet-3299	49	23	.	.	PROPN
cet-3299	49	24	,	,	PUNCT
cet-3299	49	25	2014	2014	NUM
cet-3299	49	26	)	)	PUNCT
cet-3299	49	27	and	and	CCONJ
cet-3299	49	28	gave	give	VERB
cet-3299	49	29	good	good	ADJ
cet-3299	49	30	predictive	predictive	ADJ
cet-3299	49	31	performances	performance	NOUN
cet-3299	49	32	(	(	PUNCT
cet-3299	49	33	with	with	ADP
cet-3299	49	34	errors	error	NOUN
cet-3299	49	35	about	about	ADP
cet-3299	49	36	5k	5k	NUM
cet-3299	49	37	on	on	ADP
cet-3299	49	38	binary	binary	ADJ
cet-3299	49	39	mixtures	mixture	NOUN
cet-3299	49	40	)	)	PUNCT
cet-3299	49	41	.	.	PUNCT
cet-3299	50	1	another	another	DET
cet-3299	50	2	strategy	strategy	NOUN
cet-3299	50	3	was	be	AUX
cet-3299	50	4	also	also	ADV
cet-3299	50	5	developed	develop	VERB
cet-3299	50	6	by	by	ADP
cet-3299	50	7	gaudin	gaudin	PROPN
cet-3299	50	8	et	et	PROPN
cet-3299	50	9	al	al	PROPN
cet-3299	50	10	.	.	PROPN
cet-3299	50	11	2015	2015	NUM
cet-3299	50	12	consisting	consist	VERB
cet-3299	50	13	in	in	ADP
cet-3299	50	14	defining	define	VERB
cet-3299	50	15	mixture	mixture	NOUN
cet-3299	50	16	descriptors	descriptor	NOUN
cet-3299	50	17	by	by	ADP
cet-3299	50	18	applying	apply	VERB
cet-3299	50	19	mixing	mix	VERB
cet-3299	50	20	formula	formula	NOUN
cet-3299	50	21	on	on	ADP
cet-3299	50	22	molecular	molecular	ADJ
cet-3299	50	23	descriptors	descriptor	NOUN
cet-3299	50	24	to	to	PART
cet-3299	50	25	achieve	achieve	VERB
cet-3299	50	26	mixture	mixture	NOUN
cet-3299	50	27	qspr	qspr	NOUN
cet-3299	50	28	models	model	NOUN
cet-3299	50	29	.	.	PUNCT
cet-3299	51	1	evaluated	evaluate	VERB
cet-3299	51	2	on	on	ADP
cet-3299	51	3	an	an	DET
cet-3299	51	4	external	external	ADJ
cet-3299	51	5	validation	validation	NOUN
cet-3299	51	6	set	set	NOUN
cet-3299	51	7	of	of	ADP
cet-3299	51	8	data	datum	NOUN
cet-3299	51	9	,	,	PUNCT
cet-3299	51	10	this	this	DET
cet-3299	51	11	model	model	NOUN
cet-3299	51	12	gave	give	VERB
cet-3299	51	13	promising	promising	ADJ
cet-3299	51	14	performances	performance	NOUN
cet-3299	51	15	with	with	ADP
cet-3299	51	16	a	a	DET
cet-3299	51	17	mean	mean	ADJ
cet-3299	51	18	absolute	absolute	ADJ
cet-3299	51	19	error	error	NOUN
cet-3299	51	20	of	of	ADP
cet-3299	51	21	10.3	10.3	NUM
cet-3299	51	22	°	°	NOUN
cet-3299	51	23	c	c	NOUN
cet-3299	51	24	.	.	PUNCT
cet-3299	52	1	at	at	ADP
cet-3299	52	2	last	last	ADV
cet-3299	52	3	,	,	PUNCT
cet-3299	52	4	to	to	PART
cet-3299	52	5	access	access	VERB
cet-3299	52	6	and	and	CCONJ
cet-3299	52	7	validate	validate	VERB
cet-3299	52	8	robust	robust	ADJ
cet-3299	52	9	experimental	experimental	ADJ
cet-3299	52	10	data	datum	NOUN
cet-3299	52	11	(	(	PUNCT
cet-3299	52	12	in	in	ADP
cet-3299	52	13	terms	term	NOUN
cet-3299	52	14	of	of	ADP
cet-3299	52	15	number	number	NOUN
cet-3299	52	16	and	and	CCONJ
cet-3299	52	17	uncertainty	uncertainty	NOUN
cet-3299	52	18	of	of	ADP
cet-3299	52	19	data	datum	NOUN
cet-3299	52	20	)	)	PUNCT
cet-3299	52	21	,	,	PUNCT
cet-3299	52	22	new	new	ADJ
cet-3299	52	23	experimental	experimental	ADJ
cet-3299	52	24	databases	database	NOUN
cet-3299	52	25	must	must	AUX
cet-3299	52	26	be	be	AUX
cet-3299	52	27	built	build	VERB
cet-3299	52	28	,	,	PUNCT
cet-3299	52	29	as	as	SCONJ
cet-3299	52	30	done	do	VERB
cet-3299	52	31	,	,	PUNCT
cet-3299	52	32	for	for	ADP
cet-3299	52	33	example	example	NOUN
cet-3299	52	34	,	,	PUNCT
cet-3299	52	35	for	for	ADP
cet-3299	52	36	the	the	DET
cet-3299	52	37	thermal	thermal	ADJ
cet-3299	52	38	stability	stability	NOUN
cet-3299	52	39	of	of	ADP
cet-3299	52	40	organic	organic	ADJ
cet-3299	52	41	peroxides	peroxide	NOUN
cet-3299	52	42	in	in	ADP
cet-3299	52	43	the	the	DET
cet-3299	52	44	predimol	predimol	PROPN
cet-3299	52	45	project	project	NOUN
cet-3299	52	46	.	.	PUNCT
cet-3299	53	1	table	table	NOUN
cet-3299	53	2	1	1	NUM
cet-3299	53	3	:	:	PUNCT
cet-3299	53	4	performances	performance	NOUN
cet-3299	53	5	of	of	ADP
cet-3299	53	6	ineris	ineris	ADJ
cet-3299	53	7	qspr	qspr	NOUN
cet-3299	53	8	models	model	NOUN
cet-3299	53	9	for	for	ADP
cet-3299	53	10	hazardous	hazardous	ADJ
cet-3299	53	11	physico	physico	NOUN
cet-3299	53	12	-	-	PUNCT
cet-3299	53	13	chemical	chemical	NOUN
cet-3299	53	14	properties	property	NOUN
cet-3299	53	15	explosive	explosive	ADJ
cet-3299	53	16	substances	substance	NOUN
cet-3299	53	17	temperature	temperature	NOUN
cet-3299	53	18	and	and	CCONJ
cet-3299	53	19	heat	heat	NOUN
cet-3299	53	20	of	of	ADP
cet-3299	53	21	decomposition	decomposition	NOUN
cet-3299	53	22	recent	recent	ADJ
cet-3299	53	23	validated	validate	VERB
cet-3299	53	24	models	model	NOUN
cet-3299	53	25	have	have	AUX
cet-3299	53	26	been	be	AUX
cet-3299	53	27	developed	develop	VERB
cet-3299	53	28	for	for	ADP
cet-3299	53	29	nitro	nitro	NOUN
cet-3299	53	30	compounds	compound	NOUN
cet-3299	53	31	with	with	ADP
cet-3299	53	32	errors	error	NOUN
cet-3299	53	33	lower	low	ADJ
cet-3299	53	34	than	than	ADP
cet-3299	53	35	20	20	NUM
cet-3299	53	36	%	%	NOUN
cet-3299	53	37	on	on	ADP
cet-3299	53	38	heats	heat	NOUN
cet-3299	53	39	of	of	ADP
cet-3299	53	40	decomposition	decomposition	NOUN
cet-3299	53	41	(	(	PUNCT
cet-3299	53	42	fayet	fayet	PROPN
cet-3299	53	43	et	et	PROPN
cet-3299	53	44	al	al	PROPN
cet-3299	53	45	.	.	PROPN
cet-3299	53	46	2011	2011	NUM
cet-3299	53	47	)	)	PUNCT
cet-3299	53	48	.	.	PUNCT
cet-3299	54	1	impact	impact	NOUN
cet-3299	54	2	sensitivity	sensitivity	NOUN
cet-3299	54	3	few	few	ADJ
cet-3299	54	4	validated	validate	VERB
cet-3299	54	5	models	model	NOUN
cet-3299	54	6	exist	exist	VERB
cet-3299	54	7	for	for	ADP
cet-3299	54	8	nitro	nitro	NOUN
cet-3299	54	9	compounds	compound	NOUN
cet-3299	54	10	with	with	ADP
cet-3299	54	11	errors	error	NOUN
cet-3299	54	12	about	about	ADV
cet-3299	54	13	0.2	0.2	NUM
cet-3299	54	14	-	-	PUNCT
cet-3299	54	15	0.25	0.25	NUM
cet-3299	54	16	(	(	PUNCT
cet-3299	54	17	log	log	NOUN
cet-3299	54	18	)	)	PUNCT
cet-3299	54	19	(	(	PUNCT
cet-3299	54	20	prana	prana	NOUN
cet-3299	54	21	et	et	PROPN
cet-3299	54	22	al	al	PROPN
cet-3299	54	23	.	.	PROPN
cet-3299	54	24	,	,	PUNCT
cet-3299	54	25	2012	2012	NUM
cet-3299	54	26	;	;	PUNCT
cet-3299	54	27	fayet	fayet	PROPN
cet-3299	54	28	et	et	PROPN
cet-3299	54	29	al	al	PROPN
cet-3299	54	30	.	.	PROPN
cet-3299	54	31	,	,	PUNCT
cet-3299	54	32	2014	2014	NUM
cet-3299	54	33	)	)	PUNCT
cet-3299	54	34	flammable	flammable	ADJ
cet-3299	54	35	liquids	liquid	NOUN
cet-3299	54	36	flash	flash	NOUN
cet-3299	54	37	point	point	NOUN
cet-3299	54	38	a	a	DET
cet-3299	54	39	validated	validated	ADJ
cet-3299	54	40	model	model	NOUN
cet-3299	54	41	applicable	applicable	ADJ
cet-3299	54	42	to	to	ADP
cet-3299	54	43	amines	amine	NOUN
cet-3299	54	44	exists	exist	VERB
cet-3299	54	45	with	with	ADP
cet-3299	54	46	r2	r2	NOUN
cet-3299	54	47	of	of	ADP
cet-3299	54	48	0.91	0.91	NUM
cet-3299	54	49	in	in	ADP
cet-3299	54	50	external	external	ADJ
cet-3299	54	51	validation	validation	NOUN
cet-3299	54	52	(	(	PUNCT
cet-3299	54	53	fayet	fayet	PROPN
cet-3299	54	54	et	et	PROPN
cet-3299	54	55	al	al	PROPN
cet-3299	54	56	.	.	PROPN
cet-3299	54	57	,	,	PUNCT
cet-3299	54	58	2013	2013	NUM
cet-3299	54	59	)	)	PUNCT
cet-3299	54	60	.	.	PUNCT
cet-3299	55	1	first	first	ADJ
cet-3299	55	2	predictive	predictive	ADJ
cet-3299	55	3	approaches	approach	NOUN
cet-3299	55	4	have	have	AUX
cet-3299	55	5	been	be	AUX
cet-3299	55	6	recently	recently	ADV
cet-3299	55	7	proposed	propose	VERB
cet-3299	55	8	for	for	ADP
cet-3299	55	9	mixtures	mixture	NOUN
cet-3299	55	10	with	with	ADP
cet-3299	55	11	errors	error	NOUN
cet-3299	55	12	about	about	ADP
cet-3299	55	13	4	4	NUM
cet-3299	55	14	°	°	NOUN
cet-3299	55	15	c	c	NOUN
cet-3299	55	16	(	(	PUNCT
cet-3299	55	17	gaudin	gaudin	NOUN
cet-3299	55	18	et	et	PROPN
cet-3299	55	19	al	al	PROPN
cet-3299	55	20	.	.	PROPN
cet-3299	55	21	2014	2014	NUM
cet-3299	55	22	,	,	PUNCT
cet-3299	55	23	2015	2015	NUM
cet-3299	55	24	)	)	PUNCT
cet-3299	55	25	.	.	PUNCT
cet-3299	56	1	organic	organic	ADJ
cet-3299	56	2	peroxides	peroxides	NOUN
cet-3299	56	3	temperature	temperature	NOUN
cet-3299	56	4	and	and	CCONJ
cet-3299	56	5	heat	heat	NOUN
cet-3299	56	6	of	of	ADP
cet-3299	56	7	decomposition	decomposition	NOUN
cet-3299	56	8	validated	validate	VERB
cet-3299	56	9	models	model	NOUN
cet-3299	56	10	have	have	AUX
cet-3299	56	11	been	be	AUX
cet-3299	56	12	recently	recently	ADV
cet-3299	56	13	developed	develop	VERB
cet-3299	56	14	with	with	ADP
cet-3299	56	15	r²	r²	NOUN
cet-3299	56	16	of	of	ADP
cet-3299	56	17	0.82	0.82	NUM
cet-3299	56	18	and	and	CCONJ
cet-3299	56	19	0.90	0.90	NUM
cet-3299	56	20	(	(	PUNCT
cet-3299	56	21	in	in	ADP
cet-3299	56	22	external	external	ADJ
cet-3299	56	23	validation	validation	NOUN
cet-3299	56	24	)	)	PUNCT
cet-3299	56	25	for	for	ADP
cet-3299	56	26	the	the	DET
cet-3299	56	27	heat	heat	NOUN
cet-3299	56	28	and	and	CCONJ
cet-3299	56	29	temperature	temperature	NOUN
cet-3299	56	30	of	of	ADP
cet-3299	56	31	decomposition	decomposition	NOUN
cet-3299	56	32	,	,	PUNCT
cet-3299	56	33	respectively	respectively	ADV
cet-3299	56	34	(	(	PUNCT
cet-3299	56	35	prana	prana	NOUN
cet-3299	56	36	et	et	PROPN
cet-3299	56	37	al	al	PROPN
cet-3299	56	38	.	.	PROPN
cet-3299	56	39	2014	2014	NUM
cet-3299	56	40	)	)	PUNCT
cet-3299	56	41	.	.	PUNCT
cet-3299	57	1	finally	finally	ADV
cet-3299	57	2	,	,	PUNCT
cet-3299	57	3	predicted	predict	VERB
cet-3299	57	4	data	datum	NOUN
cet-3299	57	5	obtained	obtain	VERB
cet-3299	57	6	from	from	ADP
cet-3299	57	7	qspr	qspr	NOUN
cet-3299	57	8	models	model	NOUN
cet-3299	57	9	can	can	AUX
cet-3299	57	10	complete	complete	VERB
cet-3299	57	11	databases	database	NOUN
cet-3299	57	12	of	of	ADP
cet-3299	57	13	experimental	experimental	ADJ
cet-3299	57	14	data	datum	NOUN
cet-3299	57	15	.	.	PUNCT
cet-3299	58	1	they	they	PRON
cet-3299	58	2	can	can	AUX
cet-3299	58	3	be	be	AUX
cet-3299	58	4	used	use	VERB
cet-3299	58	5	for	for	ADP
cet-3299	58	6	screening	screen	VERB
cet-3299	58	7	molecules	molecule	NOUN
cet-3299	58	8	in	in	ADP
cet-3299	58	9	r&d	r&d	NOUN
cet-3299	58	10	,	,	PUNCT
cet-3299	58	11	even	even	ADV
cet-3299	58	12	when	when	SCONJ
cet-3299	58	13	substances	substance	NOUN
cet-3299	58	14	have	have	AUX
cet-3299	58	15	not	not	PART
cet-3299	58	16	been	be	AUX
cet-3299	58	17	yet	yet	ADV
cet-3299	58	18	synthesized	synthesize	VERB
cet-3299	58	19	or	or	CCONJ
cet-3299	58	20	in	in	ADP
cet-3299	58	21	substitution	substitution	NOUN
cet-3299	58	22	purposes	purpose	NOUN
cet-3299	58	23	while	while	SCONJ
cet-3299	58	24	reducing	reduce	VERB
cet-3299	58	25	costs	cost	NOUN
cet-3299	58	26	associated	associate	VERB
cet-3299	58	27	to	to	ADP
cet-3299	58	28	tests	test	NOUN
cet-3299	58	29	.	.	PUNCT
cet-3299	59	1	to	to	PART
cet-3299	59	2	encourage	encourage	VERB
cet-3299	59	3	further	far	ADV
cet-3299	59	4	their	their	PRON
cet-3299	59	5	use	use	NOUN
cet-3299	59	6	in	in	ADP
cet-3299	59	7	regulatory	regulatory	ADJ
cet-3299	59	8	context	context	NOUN
cet-3299	59	9	such	such	ADJ
cet-3299	59	10	as	as	ADP
cet-3299	59	11	process	process	NOUN
cet-3299	59	12	safety	safety	NOUN
cet-3299	59	13	analyses	analysis	NOUN
cet-3299	59	14	or	or	CCONJ
cet-3299	59	15	for	for	ADP
cet-3299	59	16	the	the	DET
cet-3299	59	17	classification	classification	NOUN
cet-3299	59	18	and	and	CCONJ
cet-3299	59	19	registration	registration	NOUN
cet-3299	59	20	of	of	ADP
cet-3299	59	21	chemicals	chemical	NOUN
cet-3299	59	22	according	accord	VERB
cet-3299	59	23	to	to	ADP
cet-3299	59	24	tdg	tdg	PROPN
cet-3299	59	25	,	,	PUNCT
cet-3299	59	26	clp	clp	NOUN
cet-3299	59	27	or	or	CCONJ
cet-3299	59	28	reach	reach	VERB
cet-3299	59	29	(	(	PUNCT
cet-3299	59	30	e.g.	e.g.	ADV
cet-3299	59	31	to	to	PART
cet-3299	59	32	fulfil	fulfil	VERB
cet-3299	59	33	safety	safety	NOUN
cet-3299	59	34	dossiers	dossier	NOUN
cet-3299	59	35	or	or	CCONJ
cet-3299	59	36	safety	safety	NOUN
cet-3299	59	37	data	datum	NOUN
cet-3299	59	38	sheets	sheet	NOUN
cet-3299	59	39	)	)	PUNCT
cet-3299	59	40	,	,	PUNCT
cet-3299	59	41	efforts	effort	NOUN
cet-3299	59	42	and	and	CCONJ
cet-3299	59	43	dissemination	dissemination	NOUN
cet-3299	59	44	of	of	ADP
cet-3299	59	45	results	result	NOUN
cet-3299	59	46	have	have	VERB
cet-3299	59	47	to	to	PART
cet-3299	59	48	be	be	AUX
cet-3299	59	49	made	make	VERB
cet-3299	59	50	among	among	ADP
cet-3299	59	51	industry	industry	NOUN
cet-3299	59	52	and	and	CCONJ
cet-3299	59	53	regulatory	regulatory	ADJ
cet-3299	59	54	bodies	body	NOUN
cet-3299	59	55	.	.	PUNCT
cet-3299	60	1	2	2	X
cet-3299	60	2	.	.	NOUN
cet-3299	60	3	qspr	qspr	NOUN
cet-3299	60	4	models	model	NOUN
cet-3299	60	5	as	as	ADP
cet-3299	60	6	alternative	alternative	ADJ
cet-3299	60	7	method	method	NOUN
cet-3299	60	8	for	for	ADP
cet-3299	60	9	regulatory	regulatory	ADJ
cet-3299	60	10	purpose	purpose	NOUN
cet-3299	60	11	2.1	2.1	NUM
cet-3299	60	12	regulatory	regulatory	ADJ
cet-3299	60	13	use	use	NOUN
cet-3299	60	14	of	of	ADP
cet-3299	60	15	qspr	qspr	NOUN
cet-3299	60	16	models	model	NOUN
cet-3299	60	17	qspr	qspr	NOUN
cet-3299	60	18	are	be	AUX
cet-3299	60	19	identified	identify	VERB
cet-3299	60	20	among	among	ADP
cet-3299	60	21	relevant	relevant	ADJ
cet-3299	60	22	methods	method	NOUN
cet-3299	60	23	that	that	PRON
cet-3299	60	24	can	can	AUX
cet-3299	60	25	be	be	AUX
cet-3299	60	26	used	use	VERB
cet-3299	60	27	as	as	ADP
cet-3299	60	28	an	an	DET
cet-3299	60	29	alternative	alternative	NOUN
cet-3299	60	30	to	to	ADP
cet-3299	60	31	experimental	experimental	ADJ
cet-3299	60	32	testing	testing	NOUN
cet-3299	60	33	as	as	SCONJ
cet-3299	60	34	stated	state	VERB
cet-3299	60	35	in	in	ADP
cet-3299	60	36	annex	annex	NOUN
cet-3299	60	37	xi	xi	NOUN
cet-3299	60	38	of	of	ADP
cet-3299	60	39	reach	reach	NOUN
cet-3299	60	40	:	:	PUNCT
cet-3299	60	41	“	"	PUNCT
cet-3299	60	42	results	result	NOUN
cet-3299	60	43	obtained	obtain	VERB
cet-3299	60	44	from	from	ADP
cet-3299	60	45	valid	valid	ADJ
cet-3299	60	46	qualitative	qualitative	NOUN
cet-3299	60	47	or	or	CCONJ
cet-3299	60	48	quantitative	quantitative	ADJ
cet-3299	60	49	structure	structure	NOUN
cet-3299	60	50	-	-	PUNCT
cet-3299	60	51	activity	activity	NOUN
cet-3299	60	52	81	81	NUM
cet-3299	60	53	relationship	relationship	NOUN
cet-3299	60	54	models	model	NOUN
cet-3299	60	55	(	(	PUNCT
cet-3299	60	56	(	(	PUNCT
cet-3299	60	57	q	q	X
cet-3299	60	58	)	)	PUNCT
cet-3299	60	59	sars	sar	NOUN
cet-3299	60	60	)	)	PUNCT
cet-3299	60	61	may	may	AUX
cet-3299	60	62	indicate	indicate	VERB
cet-3299	60	63	the	the	DET
cet-3299	60	64	presence	presence	NOUN
cet-3299	60	65	or	or	CCONJ
cet-3299	60	66	absence	absence	NOUN
cet-3299	60	67	of	of	ADP
cet-3299	60	68	a	a	DET
cet-3299	60	69	certain	certain	ADJ
cet-3299	60	70	dangerous	dangerous	ADJ
cet-3299	60	71	property	property	NOUN
cet-3299	60	72	”	"	PUNCT
cet-3299	60	73	.	.	PUNCT
cet-3299	61	1	moreover	moreover	ADV
cet-3299	61	2	,	,	PUNCT
cet-3299	61	3	guidance	guidance	NOUN
cet-3299	61	4	on	on	ADP
cet-3299	61	5	the	the	DET
cet-3299	61	6	use	use	NOUN
cet-3299	61	7	of	of	ADP
cet-3299	61	8	grouping	grouping	NOUN
cet-3299	61	9	and	and	CCONJ
cet-3299	61	10	qsars	qsar	NOUN
cet-3299	61	11	in	in	ADP
cet-3299	61	12	reach	reach	PROPN
cet-3299	61	13	(	(	PUNCT
cet-3299	61	14	echa	echa	PROPN
cet-3299	61	15	,	,	PUNCT
cet-3299	61	16	2008	2008	NUM
cet-3299	61	17	)	)	PUNCT
cet-3299	61	18	detailed	detail	VERB
cet-3299	61	19	possible	possible	ADJ
cet-3299	61	20	uses	use	NOUN
cet-3299	61	21	of	of	ADP
cet-3299	61	22	such	such	ADJ
cet-3299	61	23	models	model	NOUN
cet-3299	61	24	like	like	ADP
cet-3299	61	25	quantitative	quantitative	ADJ
cet-3299	61	26	structure	structure	NOUN
cet-3299	61	27	-	-	PUNCT
cet-3299	61	28	property	property	NOUN
cet-3299	61	29	relationships	relationship	NOUN
cet-3299	61	30	:	:	PUNCT
cet-3299	61	31	“	"	PUNCT
cet-3299	61	32	(	(	PUNCT
cet-3299	61	33	a	a	X
cet-3299	61	34	)	)	PUNCT
cet-3299	61	35	provide	provide	VERB
cet-3299	61	36	information	information	NOUN
cet-3299	61	37	for	for	ADP
cet-3299	61	38	use	use	NOUN
cet-3299	61	39	in	in	ADP
cet-3299	61	40	priority	priority	NOUN
cet-3299	61	41	setting	setting	NOUN
cet-3299	61	42	procedures	procedure	NOUN
cet-3299	61	43	;	;	PUNCT
cet-3299	61	44	(	(	PUNCT
cet-3299	61	45	b	b	X
cet-3299	61	46	)	)	PUNCT
cet-3299	61	47	guide	guide	VERB
cet-3299	61	48	the	the	DET
cet-3299	61	49	experimental	experimental	ADJ
cet-3299	61	50	design	design	NOUN
cet-3299	61	51	of	of	ADP
cet-3299	61	52	an	an	DET
cet-3299	61	53	experimental	experimental	ADJ
cet-3299	61	54	test	test	NOUN
cet-3299	61	55	or	or	CCONJ
cet-3299	61	56	testing	testing	NOUN
cet-3299	61	57	strategy	strategy	NOUN
cet-3299	61	58	;	;	PUNCT
cet-3299	61	59	(	(	PUNCT
cet-3299	61	60	c	c	X
cet-3299	61	61	)	)	PUNCT
cet-3299	61	62	improve	improve	VERB
cet-3299	61	63	the	the	DET
cet-3299	61	64	evaluation	evaluation	NOUN
cet-3299	61	65	of	of	ADP
cet-3299	61	66	existing	exist	VERB
cet-3299	61	67	test	test	NOUN
cet-3299	61	68	data	datum	NOUN
cet-3299	61	69	;	;	PUNCT
cet-3299	61	70	(	(	PUNCT
cet-3299	61	71	d	d	X
cet-3299	61	72	)	)	PUNCT
cet-3299	61	73	provide	provide	VERB
cet-3299	61	74	mechanistic	mechanistic	ADJ
cet-3299	61	75	information	information	NOUN
cet-3299	61	76	(	(	PUNCT
cet-3299	61	77	which	which	PRON
cet-3299	61	78	could	could	AUX
cet-3299	61	79	be	be	AUX
cet-3299	61	80	used	use	VERB
cet-3299	61	81	,	,	PUNCT
cet-3299	61	82	for	for	ADP
cet-3299	61	83	example	example	NOUN
cet-3299	61	84	,	,	PUNCT
cet-3299	61	85	to	to	PART
cet-3299	61	86	support	support	VERB
cet-3299	61	87	the	the	DET
cet-3299	61	88	grouping	grouping	NOUN
cet-3299	61	89	of	of	ADP
cet-3299	61	90	chemicals	chemical	NOUN
cet-3299	61	91	into	into	ADP
cet-3299	61	92	categories	category	NOUN
cet-3299	61	93	)	)	PUNCT
cet-3299	61	94	;	;	PUNCT
cet-3299	61	95	(	(	PUNCT
cet-3299	61	96	e	e	NOUN
cet-3299	61	97	)	)	PUNCT
cet-3299	61	98	fill	fill	VERB
cet-3299	61	99	a	a	DET
cet-3299	61	100	data	data	NOUN
cet-3299	61	101	gap	gap	NOUN
cet-3299	61	102	needed	need	VERB
cet-3299	61	103	for	for	ADP
cet-3299	61	104	hazard	hazard	NOUN
cet-3299	61	105	and	and	CCONJ
cet-3299	61	106	risk	risk	NOUN
cet-3299	61	107	assessment	assessment	NOUN
cet-3299	61	108	;	;	PUNCT
cet-3299	61	109	(	(	PUNCT
cet-3299	61	110	f	f	X
cet-3299	61	111	)	)	PUNCT
cet-3299	61	112	fill	fill	VERB
cet-3299	61	113	a	a	DET
cet-3299	61	114	data	data	NOUN
cet-3299	61	115	gap	gap	NOUN
cet-3299	61	116	needed	need	VERB
cet-3299	61	117	for	for	ADP
cet-3299	61	118	classification	classification	NOUN
cet-3299	61	119	and	and	CCONJ
cet-3299	61	120	labelling	labelling	NOUN
cet-3299	61	121	;	;	PUNCT
cet-3299	61	122	(	(	PUNCT
cet-3299	61	123	g	g	NOUN
cet-3299	61	124	)	)	PUNCT
cet-3299	61	125	fill	fill	VERB
cet-3299	61	126	a	a	DET
cet-3299	61	127	data	data	NOUN
cet-3299	61	128	gap	gap	NOUN
cet-3299	61	129	needed	need	VERB
cet-3299	61	130	for	for	ADP
cet-3299	61	131	pbt	pbt	PROPN
cet-3299	61	132	or	or	CCONJ
cet-3299	61	133	vpvb	vpvb	NOUN
cet-3299	61	134	assessment	assessment	NOUN
cet-3299	61	135	.	.	PUNCT
cet-3299	61	136	”	"	PUNCT
cet-3299	62	1	as	as	SCONJ
cet-3299	62	2	explained	explain	VERB
cet-3299	62	3	by	by	ADP
cet-3299	62	4	worth	worth	ADJ
cet-3299	62	5	(	(	PUNCT
cet-3299	62	6	2010	2010	NUM
cet-3299	62	7	)	)	PUNCT
cet-3299	62	8	,	,	PUNCT
cet-3299	62	9	to	to	PART
cet-3299	62	10	allow	allow	VERB
cet-3299	62	11	application	application	NOUN
cet-3299	62	12	of	of	ADP
cet-3299	62	13	qspr	qspr	NOUN
cet-3299	62	14	models	model	NOUN
cet-3299	62	15	for	for	ADP
cet-3299	62	16	regulatory	regulatory	ADJ
cet-3299	62	17	purpose	purpose	NOUN
cet-3299	62	18	,	,	PUNCT
cet-3299	62	19	the	the	DET
cet-3299	62	20	validity	validity	NOUN
cet-3299	62	21	,	,	PUNCT
cet-3299	62	22	applicability	applicability	NOUN
cet-3299	62	23	and	and	CCONJ
cet-3299	62	24	adequacy	adequacy	NOUN
cet-3299	62	25	of	of	ADP
cet-3299	62	26	the	the	DET
cet-3299	62	27	model	model	NOUN
cet-3299	62	28	have	have	VERB
cet-3299	62	29	to	to	PART
cet-3299	62	30	be	be	AUX
cet-3299	62	31	demonstrated	demonstrate	VERB
cet-3299	62	32	.	.	PUNCT
cet-3299	63	1	the	the	DET
cet-3299	63	2	different	different	ADJ
cet-3299	63	3	steps	step	NOUN
cet-3299	63	4	are	be	AUX
cet-3299	63	5	summarized	summarize	VERB
cet-3299	63	6	in	in	ADP
cet-3299	63	7	brief	brief	NOUN
cet-3299	63	8	in	in	ADP
cet-3299	63	9	the	the	DET
cet-3299	63	10	following	following	NOUN
cet-3299	63	11	.	.	PUNCT
cet-3299	64	1	concerning	concern	VERB
cet-3299	64	2	the	the	DET
cet-3299	64	3	validation	validation	NOUN
cet-3299	64	4	of	of	ADP
cet-3299	64	5	qspr	qspr	NOUN
cet-3299	64	6	models	model	NOUN
cet-3299	64	7	,	,	PUNCT
cet-3299	64	8	a	a	DET
cet-3299	64	9	first	first	ADJ
cet-3299	64	10	general	general	ADJ
cet-3299	64	11	agreement	agreement	NOUN
cet-3299	64	12	is	be	AUX
cet-3299	64	13	based	base	VERB
cet-3299	64	14	on	on	ADP
cet-3299	64	15	the	the	DET
cet-3299	64	16	fact	fact	NOUN
cet-3299	64	17	that	that	SCONJ
cet-3299	64	18	the	the	DET
cet-3299	64	19	model	model	NOUN
cet-3299	64	20	should	should	AUX
cet-3299	64	21	be	be	AUX
cet-3299	64	22	scientifically	scientifically	ADV
cet-3299	64	23	valid	valid	ADJ
cet-3299	64	24	or	or	CCONJ
cet-3299	64	25	validated	validate	VERB
cet-3299	64	26	.	.	PUNCT
cet-3299	65	1	for	for	ADP
cet-3299	65	2	the	the	DET
cet-3299	65	3	validity	validity	NOUN
cet-3299	65	4	,	,	PUNCT
cet-3299	65	5	five	five	NUM
cet-3299	65	6	validation	validation	NOUN
cet-3299	65	7	principles	principle	NOUN
cet-3299	65	8	proposed	propose	VERB
cet-3299	65	9	by	by	ADP
cet-3299	65	10	oecd	oecd	PROPN
cet-3299	65	11	(	(	PUNCT
cet-3299	65	12	2007	2007	NUM
cet-3299	65	13	)	)	PUNCT
cet-3299	65	14	should	should	AUX
cet-3299	65	15	be	be	AUX
cet-3299	65	16	satisfied	satisfied	ADJ
cet-3299	65	17	.	.	PUNCT
cet-3299	66	1	nevertheless	nevertheless	ADV
cet-3299	66	2	,	,	PUNCT
cet-3299	66	3	no	no	DET
cet-3299	66	4	performance	performance	NOUN
cet-3299	66	5	criteria	criterion	NOUN
cet-3299	66	6	for	for	ADP
cet-3299	66	7	the	the	DET
cet-3299	66	8	regulatory	regulatory	ADJ
cet-3299	66	9	acceptance	acceptance	NOUN
cet-3299	66	10	of	of	ADP
cet-3299	66	11	qspr	qspr	NOUN
cet-3299	66	12	were	be	AUX
cet-3299	66	13	provided	provide	VERB
cet-3299	66	14	.	.	PUNCT
cet-3299	67	1	the	the	DET
cet-3299	67	2	appropriate	appropriate	ADJ
cet-3299	67	3	documentation	documentation	NOUN
cet-3299	67	4	used	use	VERB
cet-3299	67	5	to	to	PART
cet-3299	67	6	demonstrate	demonstrate	VERB
cet-3299	67	7	that	that	SCONJ
cet-3299	67	8	the	the	DET
cet-3299	67	9	qspr	qspr	NOUN
cet-3299	67	10	model	model	NOUN
cet-3299	67	11	fulfill	fulfill	NOUN
cet-3299	67	12	all	all	DET
cet-3299	67	13	requirements	requirement	NOUN
cet-3299	67	14	are	be	AUX
cet-3299	67	15	compiled	compile	VERB
cet-3299	67	16	into	into	ADP
cet-3299	67	17	a	a	DET
cet-3299	67	18	qsar	qsar	NOUN
cet-3299	67	19	model	model	NOUN
cet-3299	67	20	reporting	reporting	NOUN
cet-3299	67	21	format	format	NOUN
cet-3299	67	22	(	(	PUNCT
cet-3299	67	23	qmrf	qmrf	ADJ
cet-3299	67	24	)	)	PUNCT
cet-3299	67	25	file	file	NOUN
cet-3299	67	26	which	which	PRON
cet-3299	67	27	is	be	AUX
cet-3299	67	28	structured	structure	VERB
cet-3299	67	29	according	accord	VERB
cet-3299	67	30	to	to	ADP
cet-3299	67	31	these	these	DET
cet-3299	67	32	principles	principle	NOUN
cet-3299	67	33	.	.	PUNCT
cet-3299	68	1	some	some	DET
cet-3299	68	2	validated	validate	VERB
cet-3299	68	3	models	model	NOUN
cet-3299	68	4	and	and	CCONJ
cet-3299	68	5	their	their	PRON
cet-3299	68	6	associated	associate	VERB
cet-3299	68	7	qmrf	qmrf	ADJ
cet-3299	68	8	files	file	NOUN
cet-3299	68	9	can	can	AUX
cet-3299	68	10	be	be	AUX
cet-3299	68	11	found	find	VERB
cet-3299	68	12	in	in	ADP
cet-3299	68	13	the	the	DET
cet-3299	68	14	online	online	ADJ
cet-3299	68	15	qsar	qsar	NOUN
cet-3299	68	16	database	database	NOUN
cet-3299	68	17	of	of	ADP
cet-3299	68	18	the	the	DET
cet-3299	68	19	joint	joint	ADJ
cet-3299	68	20	research	research	NOUN
cet-3299	68	21	center	center	NOUN
cet-3299	68	22	(	(	PUNCT
cet-3299	68	23	2015	2015	NUM
cet-3299	68	24	)	)	PUNCT
cet-3299	68	25	,	,	PUNCT
cet-3299	68	26	in	in	ADP
cet-3299	68	27	which	which	PRON
cet-3299	68	28	more	more	ADJ
cet-3299	68	29	than	than	ADP
cet-3299	68	30	90	90	NUM
cet-3299	68	31	models	model	NOUN
cet-3299	68	32	are	be	AUX
cet-3299	68	33	included	include	VERB
cet-3299	68	34	after	after	ADP
cet-3299	68	35	validation	validation	NOUN
cet-3299	68	36	by	by	ADP
cet-3299	68	37	an	an	DET
cet-3299	68	38	expert	expert	NOUN
cet-3299	68	39	comity	comity	NOUN
cet-3299	68	40	,	,	PUNCT
cet-3299	68	41	or	or	CCONJ
cet-3299	68	42	in	in	ADP
cet-3299	68	43	the	the	DET
cet-3299	68	44	oecd	oecd	PROPN
cet-3299	68	45	/	/	SYM
cet-3299	68	46	echa	echa	PROPN
cet-3299	68	47	qsar	qsar	PROPN
cet-3299	68	48	toolbox	toolbox	NOUN
cet-3299	68	49	(	(	PUNCT
cet-3299	68	50	2015	2015	NUM
cet-3299	68	51	)	)	PUNCT
cet-3299	68	52	,	,	PUNCT
cet-3299	68	53	a	a	DET
cet-3299	68	54	free	free	ADJ
cet-3299	68	55	predictive	predictive	ADJ
cet-3299	68	56	platform	platform	NOUN
cet-3299	68	57	available	available	ADJ
cet-3299	68	58	online	online	ADV
cet-3299	68	59	in	in	ADP
cet-3299	68	60	which	which	PRON
cet-3299	68	61	qsar	qsar	NOUN
cet-3299	68	62	and	and	CCONJ
cet-3299	68	63	qspr	qspr	NOUN
cet-3299	68	64	models	model	NOUN
cet-3299	68	65	are	be	AUX
cet-3299	68	66	implemented	implement	VERB
cet-3299	68	67	(	(	PUNCT
cet-3299	68	68	also	also	ADV
cet-3299	68	69	after	after	ADP
cet-3299	68	70	acceptance	acceptance	NOUN
cet-3299	68	71	by	by	ADP
cet-3299	68	72	an	an	DET
cet-3299	68	73	expert	expert	NOUN
cet-3299	68	74	comity	comity	NOUN
cet-3299	68	75	on	on	ADP
cet-3299	68	76	the	the	DET
cet-3299	68	77	scientific	scientific	ADJ
cet-3299	68	78	validity	validity	NOUN
cet-3299	68	79	and	and	CCONJ
cet-3299	68	80	the	the	DET
cet-3299	68	81	technical	technical	ADJ
cet-3299	68	82	feasibility	feasibility	NOUN
cet-3299	68	83	of	of	ADP
cet-3299	68	84	implementation	implementation	NOUN
cet-3299	68	85	of	of	ADP
cet-3299	68	86	the	the	DET
cet-3299	68	87	model	model	NOUN
cet-3299	68	88	in	in	ADP
cet-3299	68	89	the	the	DET
cet-3299	68	90	platform	platform	NOUN
cet-3299	68	91	)	)	PUNCT
cet-3299	68	92	.	.	PUNCT
cet-3299	69	1	moreover	moreover	ADV
cet-3299	69	2	,	,	PUNCT
cet-3299	69	3	whatever	whatever	PRON
cet-3299	69	4	the	the	DET
cet-3299	69	5	quality	quality	NOUN
cet-3299	69	6	and	and	CCONJ
cet-3299	69	7	validation	validation	NOUN
cet-3299	69	8	of	of	ADP
cet-3299	69	9	the	the	DET
cet-3299	69	10	model	model	NOUN
cet-3299	69	11	,	,	PUNCT
cet-3299	69	12	it	it	PRON
cet-3299	69	13	also	also	ADV
cet-3299	69	14	has	have	VERB
cet-3299	69	15	to	to	PART
cet-3299	69	16	be	be	AUX
cet-3299	69	17	relevant	relevant	ADJ
cet-3299	69	18	and	and	CCONJ
cet-3299	69	19	correctly	correctly	ADV
cet-3299	69	20	used	use	VERB
cet-3299	69	21	.	.	PUNCT
cet-3299	70	1	in	in	ADP
cet-3299	70	2	particular	particular	ADJ
cet-3299	70	3	,	,	PUNCT
cet-3299	70	4	a	a	DET
cet-3299	70	5	model	model	NOUN
cet-3299	70	6	is	be	AUX
cet-3299	70	7	only	only	ADV
cet-3299	70	8	applicable	applicable	ADJ
cet-3299	70	9	in	in	ADP
cet-3299	70	10	its	its	PRON
cet-3299	70	11	applicability	applicability	NOUN
cet-3299	70	12	domain	domain	NOUN
cet-3299	70	13	in	in	ADP
cet-3299	70	14	terms	term	NOUN
cet-3299	70	15	of	of	ADP
cet-3299	70	16	chemical	chemical	ADJ
cet-3299	70	17	diversity	diversity	NOUN
cet-3299	70	18	(	(	PUNCT
cet-3299	70	19	within	within	ADP
cet-3299	70	20	identified	identify	VERB
cet-3299	70	21	families	family	NOUN
cet-3299	70	22	and	and	CCONJ
cet-3299	70	23	within	within	ADP
cet-3299	70	24	a	a	DET
cet-3299	70	25	defined	define	VERB
cet-3299	70	26	chemical	chemical	NOUN
cet-3299	70	27	space	space	NOUN
cet-3299	70	28	based	base	VERB
cet-3299	70	29	on	on	ADP
cet-3299	70	30	the	the	DET
cet-3299	70	31	values	value	NOUN
cet-3299	70	32	of	of	ADP
cet-3299	70	33	descriptors	descriptor	NOUN
cet-3299	70	34	in	in	ADP
cet-3299	70	35	the	the	DET
cet-3299	70	36	training	training	NOUN
cet-3299	70	37	set	set	NOUN
cet-3299	70	38	)	)	PUNCT
cet-3299	70	39	and	and	CCONJ
cet-3299	70	40	in	in	ADP
cet-3299	70	41	terms	term	NOUN
cet-3299	70	42	of	of	ADP
cet-3299	70	43	property	property	NOUN
cet-3299	70	44	domain	domain	NOUN
cet-3299	70	45	(	(	PUNCT
cet-3299	70	46	by	by	ADP
cet-3299	70	47	the	the	DET
cet-3299	70	48	range	range	NOUN
cet-3299	70	49	of	of	ADP
cet-3299	70	50	property	property	NOUN
cet-3299	70	51	values	value	NOUN
cet-3299	70	52	in	in	ADP
cet-3299	70	53	the	the	DET
cet-3299	70	54	training	training	NOUN
cet-3299	70	55	set	set	NOUN
cet-3299	70	56	)	)	PUNCT
cet-3299	70	57	.	.	PUNCT
cet-3299	71	1	to	to	PART
cet-3299	71	2	ensure	ensure	VERB
cet-3299	71	3	it	it	PRON
cet-3299	71	4	,	,	PUNCT
cet-3299	71	5	the	the	DET
cet-3299	71	6	following	follow	VERB
cet-3299	71	7	questions	question	NOUN
cet-3299	71	8	may	may	AUX
cet-3299	71	9	be	be	AUX
cet-3299	71	10	answered	answer	VERB
cet-3299	71	11	:	:	PUNCT
cet-3299	71	12	1	1	X
cet-3299	71	13	.	.	X
cet-3299	71	14	is	be	AUX
cet-3299	71	15	the	the	DET
cet-3299	71	16	model	model	NOUN
cet-3299	71	17	dedicated	dedicate	VERB
cet-3299	71	18	to	to	ADP
cet-3299	71	19	the	the	DET
cet-3299	71	20	family	family	NOUN
cet-3299	71	21	of	of	ADP
cet-3299	71	22	molecules	molecule	NOUN
cet-3299	71	23	of	of	ADP
cet-3299	71	24	the	the	DET
cet-3299	71	25	target	target	NOUN
cet-3299	71	26	compound	compound	NOUN
cet-3299	71	27	?	?	PUNCT
cet-3299	72	1	2	2	X
cet-3299	72	2	.	.	X
cet-3299	72	3	is	be	AUX
cet-3299	72	4	the	the	DET
cet-3299	72	5	endpoint	endpoint	NOUN
cet-3299	72	6	of	of	ADP
cet-3299	72	7	the	the	DET
cet-3299	72	8	model	model	NOUN
cet-3299	72	9	relevant	relevant	ADJ
cet-3299	72	10	regarding	regard	VERB
cet-3299	72	11	the	the	DET
cet-3299	72	12	application	application	NOUN
cet-3299	72	13	targeted	target	VERB
cet-3299	72	14	for	for	ADP
cet-3299	72	15	the	the	DET
cet-3299	72	16	predicted	predict	VERB
cet-3299	72	17	value	value	NOUN
cet-3299	72	18	?	?	PUNCT
cet-3299	73	1	3	3	X
cet-3299	73	2	.	.	X
cet-3299	73	3	is	be	AUX
cet-3299	73	4	the	the	DET
cet-3299	73	5	compound	compound	NOUN
cet-3299	73	6	in	in	ADP
cet-3299	73	7	the	the	DET
cet-3299	73	8	applicability	applicability	NOUN
cet-3299	73	9	domain	domain	NOUN
cet-3299	73	10	of	of	ADP
cet-3299	73	11	the	the	DET
cet-3299	73	12	model	model	NOUN
cet-3299	73	13	based	base	VERB
cet-3299	73	14	on	on	ADP
cet-3299	73	15	the	the	DET
cet-3299	73	16	molecular	molecular	ADJ
cet-3299	73	17	descriptors	descriptor	NOUN
cet-3299	73	18	?	?	PUNCT
cet-3299	74	1	4	4	X
cet-3299	74	2	.	.	X
cet-3299	74	3	is	be	AUX
cet-3299	74	4	the	the	DET
cet-3299	74	5	final	final	ADJ
cet-3299	74	6	calculated	calculate	VERB
cet-3299	74	7	property	property	NOUN
cet-3299	74	8	is	be	AUX
cet-3299	74	9	the	the	DET
cet-3299	74	10	applicability	applicability	NOUN
cet-3299	74	11	domain	domain	NOUN
cet-3299	74	12	of	of	ADP
cet-3299	74	13	the	the	DET
cet-3299	74	14	model	model	NOUN
cet-3299	74	15	?	?	PUNCT
cet-3299	75	1	moreover	moreover	ADV
cet-3299	75	2	,	,	PUNCT
cet-3299	75	3	the	the	DET
cet-3299	75	4	model	model	NOUN
cet-3299	75	5	must	must	AUX
cet-3299	75	6	be	be	AUX
cet-3299	75	7	applied	apply	VERB
cet-3299	75	8	following	follow	VERB
cet-3299	75	9	the	the	DET
cet-3299	75	10	exact	exact	ADJ
cet-3299	75	11	procedure	procedure	NOUN
cet-3299	75	12	defined	define	VERB
cet-3299	75	13	by	by	ADP
cet-3299	75	14	the	the	DET
cet-3299	75	15	developers	developer	NOUN
cet-3299	75	16	of	of	ADP
cet-3299	75	17	the	the	DET
cet-3299	75	18	model	model	NOUN
cet-3299	75	19	.	.	PUNCT
cet-3299	76	1	in	in	ADP
cet-3299	76	2	particular	particular	ADJ
cet-3299	76	3	,	,	PUNCT
cet-3299	76	4	in	in	ADP
cet-3299	76	5	the	the	DET
cet-3299	76	6	case	case	NOUN
cet-3299	76	7	of	of	ADP
cet-3299	76	8	quantum	quantum	ADJ
cet-3299	76	9	chemical	chemical	NOUN
cet-3299	76	10	descriptors	descriptor	NOUN
cet-3299	76	11	,	,	PUNCT
cet-3299	76	12	computational	computational	ADJ
cet-3299	76	13	descriptors	descriptor	NOUN
cet-3299	76	14	,	,	PUNCT
cet-3299	76	15	like	like	ADP
cet-3299	76	16	the	the	DET
cet-3299	76	17	basis	basis	NOUN
cet-3299	76	18	set	set	NOUN
cet-3299	76	19	and	and	CCONJ
cet-3299	76	20	the	the	DET
cet-3299	76	21	method	method	NOUN
cet-3299	76	22	(	(	PUNCT
cet-3299	76	23	e.g.	e.g.	ADV
cet-3299	76	24	functional	functional	ADJ
cet-3299	76	25	)	)	PUNCT
cet-3299	76	26	,	,	PUNCT
cet-3299	76	27	must	must	AUX
cet-3299	76	28	be	be	AUX
cet-3299	76	29	followed	follow	VERB
cet-3299	76	30	.	.	PUNCT
cet-3299	77	1	it	it	PRON
cet-3299	77	2	is	be	AUX
cet-3299	77	3	also	also	ADV
cet-3299	77	4	necessary	necessary	ADJ
cet-3299	77	5	to	to	PART
cet-3299	77	6	check	check	VERB
cet-3299	77	7	that	that	SCONJ
cet-3299	77	8	the	the	DET
cet-3299	77	9	endpoint	endpoint	NOUN
cet-3299	77	10	is	be	AUX
cet-3299	77	11	relevant	relevant	ADJ
cet-3299	77	12	for	for	ADP
cet-3299	77	13	the	the	DET
cet-3299	77	14	regulatory	regulatory	ADJ
cet-3299	77	15	purpose	purpose	NOUN
cet-3299	77	16	.	.	PUNCT
cet-3299	78	1	it	it	PRON
cet-3299	78	2	is	be	AUX
cet-3299	78	3	obvious	obvious	ADJ
cet-3299	78	4	when	when	SCONJ
cet-3299	78	5	a	a	DET
cet-3299	78	6	model	model	NOUN
cet-3299	78	7	predicts	predict	VERB
cet-3299	78	8	directly	directly	ADV
cet-3299	78	9	a	a	DET
cet-3299	78	10	regulatory	regulatory	ADJ
cet-3299	78	11	endpoint	endpoint	NOUN
cet-3299	78	12	(	(	PUNCT
cet-3299	78	13	e.g.	e.g.	ADV
cet-3299	78	14	flash	flash	NOUN
cet-3299	78	15	point	point	NOUN
cet-3299	78	16	)	)	PUNCT
cet-3299	78	17	,	,	PUNCT
cet-3299	78	18	it	it	PRON
cet-3299	78	19	needs	need	VERB
cet-3299	78	20	sometimes	sometimes	ADV
cet-3299	78	21	extrapolation	extrapolation	NOUN
cet-3299	78	22	to	to	PART
cet-3299	78	23	correlate	correlate	VERB
cet-3299	78	24	the	the	DET
cet-3299	78	25	modeled	model	VERB
cet-3299	78	26	endpoint	endpoint	NOUN
cet-3299	78	27	(	(	PUNCT
cet-3299	78	28	e.g.	e.g.	ADV
cet-3299	78	29	thermal	thermal	ADJ
cet-3299	78	30	stability	stability	NOUN
cet-3299	78	31	)	)	PUNCT
cet-3299	78	32	to	to	ADP
cet-3299	78	33	the	the	DET
cet-3299	78	34	endpoint	endpoint	NOUN
cet-3299	78	35	of	of	ADP
cet-3299	78	36	regulatory	regulatory	ADJ
cet-3299	78	37	interest	interest	NOUN
cet-3299	78	38	(	(	PUNCT
cet-3299	78	39	e.g.	e.g.	ADV
cet-3299	78	40	explosive	explosive	ADJ
cet-3299	78	41	properties	property	NOUN
cet-3299	78	42	)	)	PUNCT
cet-3299	78	43	.	.	PUNCT
cet-3299	79	1	again	again	ADV
cet-3299	79	2	,	,	PUNCT
cet-3299	79	3	no	no	DET
cet-3299	79	4	general	general	ADJ
cet-3299	79	5	criteria	criterion	NOUN
cet-3299	79	6	are	be	AUX
cet-3299	79	7	provided	provide	VERB
cet-3299	79	8	to	to	PART
cet-3299	79	9	assess	assess	VERB
cet-3299	79	10	adequacy	adequacy	NOUN
cet-3299	79	11	.	.	PUNCT
cet-3299	80	1	however	however	ADV
cet-3299	80	2	,	,	PUNCT
cet-3299	80	3	to	to	PART
cet-3299	80	4	prove	prove	VERB
cet-3299	80	5	the	the	DET
cet-3299	80	6	correct	correct	ADJ
cet-3299	80	7	use	use	NOUN
cet-3299	80	8	of	of	ADP
cet-3299	80	9	the	the	DET
cet-3299	80	10	qspr	qspr	NOUN
cet-3299	80	11	model	model	NOUN
cet-3299	80	12	for	for	ADP
cet-3299	80	13	a	a	DET
cet-3299	80	14	relevant	relevant	ADJ
cet-3299	80	15	prediction	prediction	NOUN
cet-3299	80	16	in	in	ADP
cet-3299	80	17	regulatory	regulatory	ADJ
cet-3299	80	18	purpose	purpose	NOUN
cet-3299	80	19	,	,	PUNCT
cet-3299	80	20	a	a	DET
cet-3299	80	21	qsar	qsar	NOUN
cet-3299	80	22	prediction	prediction	NOUN
cet-3299	80	23	reporting	reporting	NOUN
cet-3299	80	24	format	format	NOUN
cet-3299	80	25	(	(	PUNCT
cet-3299	80	26	qprf	qprf	NOUN
cet-3299	80	27	)	)	PUNCT
cet-3299	80	28	file	file	NOUN
cet-3299	80	29	has	have	AUX
cet-3299	80	30	been	be	AUX
cet-3299	80	31	developed	develop	VERB
cet-3299	80	32	as	as	ADP
cet-3299	80	33	a	a	DET
cet-3299	80	34	complement	complement	NOUN
cet-3299	80	35	to	to	ADP
cet-3299	80	36	the	the	DET
cet-3299	80	37	qmrf	qmrf	ADJ
cet-3299	80	38	file	file	NOUN
cet-3299	80	39	.	.	PUNCT
cet-3299	81	1	this	this	DET
cet-3299	81	2	file	file	NOUN
cet-3299	81	3	summarizes	summarize	NOUN
cet-3299	81	4	all	all	DET
cet-3299	81	5	information	information	NOUN
cet-3299	81	6	needed	need	VERB
cet-3299	81	7	to	to	PART
cet-3299	81	8	demonstrate	demonstrate	VERB
cet-3299	81	9	that	that	SCONJ
cet-3299	81	10	the	the	DET
cet-3299	81	11	model	model	NOUN
cet-3299	81	12	has	have	AUX
cet-3299	81	13	been	be	AUX
cet-3299	81	14	well	well	ADV
cet-3299	81	15	chosen	choose	VERB
cet-3299	81	16	and	and	CCONJ
cet-3299	81	17	used	use	VERB
cet-3299	81	18	.	.	PUNCT
cet-3299	82	1	finally	finally	ADV
cet-3299	82	2	,	,	PUNCT
cet-3299	82	3	it	it	PRON
cet-3299	82	4	’s	’	VERB
cet-3299	82	5	important	important	ADJ
cet-3299	82	6	to	to	PART
cet-3299	82	7	note	note	VERB
cet-3299	82	8	that	that	SCONJ
cet-3299	82	9	“	"	PUNCT
cet-3299	82	10	under	under	ADP
cet-3299	82	11	reach	reach	NOUN
cet-3299	82	12	,	,	PUNCT
cet-3299	82	13	there	there	PRON
cet-3299	82	14	is	be	VERB
cet-3299	82	15	no	no	DET
cet-3299	82	16	formal	formal	ADJ
cet-3299	82	17	adoption	adoption	NOUN
cet-3299	82	18	process	process	NOUN
cet-3299	82	19	for	for	ADP
cet-3299	82	20	(	(	PUNCT
cet-3299	82	21	q)sars	q)sar	NOUN
cet-3299	82	22	(	(	PUNCT
cet-3299	82	23	or	or	CCONJ
cet-3299	82	24	other	other	ADJ
cet-3299	82	25	non	non	ADJ
cet-3299	82	26	-	-	ADJ
cet-3299	82	27	testing	testing	ADJ
cet-3299	82	28	methods	method	NOUN
cet-3299	82	29	)	)	PUNCT
cet-3299	82	30	and	and	CCONJ
cet-3299	82	31	there	there	PRON
cet-3299	82	32	is	be	VERB
cet-3299	82	33	no	no	DET
cet-3299	82	34	official	official	ADJ
cet-3299	82	35	list	list	NOUN
cet-3299	82	36	of	of	ADP
cet-3299	82	37	accepted	accept	VERB
cet-3299	82	38	,	,	PUNCT
cet-3299	82	39	legally	legally	ADV
cet-3299	82	40	binding	bind	VERB
cet-3299	82	41	models	model	NOUN
cet-3299	82	42	”	"	PUNCT
cet-3299	82	43	even	even	ADV
cet-3299	82	44	if	if	SCONJ
cet-3299	82	45	harmonized	harmonized	ADJ
cet-3299	82	46	documents	document	NOUN
cet-3299	82	47	ensuring	ensure	VERB
cet-3299	82	48	the	the	DET
cet-3299	82	49	reproducibility	reproducibility	NOUN
cet-3299	82	50	of	of	ADP
cet-3299	82	51	predictions	prediction	NOUN
cet-3299	82	52	and	and	CCONJ
cet-3299	82	53	transparency	transparency	NOUN
cet-3299	82	54	in	in	ADP
cet-3299	82	55	their	their	PRON
cet-3299	82	56	interpretation	interpretation	NOUN
cet-3299	82	57	were	be	AUX
cet-3299	82	58	proposed	propose	VERB
cet-3299	82	59	(	(	PUNCT
cet-3299	82	60	qmrf	qmrf	NOUN
cet-3299	82	61	and	and	CCONJ
cet-3299	82	62	qprf	qprf	NOUN
cet-3299	82	63	files	file	NOUN
cet-3299	82	64	)	)	PUNCT
cet-3299	82	65	.	.	PUNCT
cet-3299	83	1	in	in	ADP
cet-3299	83	2	addition	addition	NOUN
cet-3299	83	3	,	,	PUNCT
cet-3299	83	4	some	some	DET
cet-3299	83	5	freely	freely	ADV
cet-3299	83	6	available	available	ADJ
cet-3299	83	7	software	software	NOUN
cet-3299	83	8	tools	tool	NOUN
cet-3299	83	9	(	(	PUNCT
cet-3299	83	10	e.g.	e.g.	ADV
cet-3299	83	11	the	the	DET
cet-3299	83	12	qsar	qsar	NOUN
cet-3299	83	13	toolbox	toolbox	NOUN
cet-3299	83	14	)	)	PUNCT
cet-3299	83	15	have	have	AUX
cet-3299	83	16	been	be	AUX
cet-3299	83	17	developed	develop	VERB
cet-3299	83	18	to	to	PART
cet-3299	83	19	facilitate	facilitate	VERB
cet-3299	83	20	the	the	DET
cet-3299	83	21	use	use	NOUN
cet-3299	83	22	of	of	ADP
cet-3299	83	23	qspr	qspr	NOUN
cet-3299	83	24	by	by	ADP
cet-3299	83	25	the	the	DET
cet-3299	83	26	industry	industry	NOUN
cet-3299	83	27	registrant	registrant	VERB
cet-3299	83	28	for	for	ADP
cet-3299	83	29	example	example	NOUN
cet-3299	83	30	and	and	CCONJ
cet-3299	83	31	by	by	ADP
cet-3299	83	32	regulatory	regulatory	ADJ
cet-3299	83	33	bodies	body	NOUN
cet-3299	83	34	for	for	ADP
cet-3299	83	35	regulatory	regulatory	ADJ
cet-3299	83	36	purposes	purpose	NOUN
cet-3299	83	37	.	.	PUNCT
cet-3299	84	1	2.2	2.2	NUM
cet-3299	84	2	case	case	NOUN
cet-3299	84	3	study	study	NOUN
cet-3299	84	4	1	1	NUM
cet-3299	84	5	:	:	PUNCT
cet-3299	84	6	qspr	qspr	NOUN
cet-3299	84	7	model	model	NOUN
cet-3299	84	8	dedicated	dedicate	VERB
cet-3299	84	9	to	to	PART
cet-3299	84	10	impact	impact	VERB
cet-3299	84	11	sensitivity	sensitivity	NOUN
cet-3299	84	12	with	with	ADP
cet-3299	84	13	quantum	quantum	NOUN
cet-3299	84	14	descriptors	descriptor	NOUN
cet-3299	84	15	an	an	DET
cet-3299	84	16	example	example	NOUN
cet-3299	84	17	of	of	ADP
cet-3299	84	18	validated	validated	ADJ
cet-3299	84	19	model	model	NOUN
cet-3299	84	20	is	be	AUX
cet-3299	84	21	the	the	DET
cet-3299	84	22	one	one	NOUN
cet-3299	84	23	dedicated	dedicate	VERB
cet-3299	84	24	to	to	ADP
cet-3299	84	25	the	the	DET
cet-3299	84	26	impact	impact	NOUN
cet-3299	84	27	sensitivity	sensitivity	NOUN
cet-3299	84	28	of	of	ADP
cet-3299	84	29	nitroaliphatic	nitroaliphatic	ADJ
cet-3299	84	30	compounds	compound	NOUN
cet-3299	84	31	which	which	PRON
cet-3299	84	32	is	be	AUX
cet-3299	84	33	required	require	VERB
cet-3299	84	34	to	to	PART
cet-3299	84	35	classify	classify	VERB
cet-3299	84	36	substances	substance	NOUN
cet-3299	84	37	among	among	ADP
cet-3299	84	38	explosive	explosive	ADJ
cet-3299	84	39	compounds	compound	NOUN
cet-3299	84	40	(	(	PUNCT
cet-3299	84	41	principle	principle	NOUN
cet-3299	84	42	1	1	NUM
cet-3299	84	43	)	)	PUNCT
cet-3299	84	44	(	(	PUNCT
cet-3299	84	45	prana	prana	NOUN
cet-3299	84	46	et	et	PROPN
cet-3299	84	47	al	al	PROPN
cet-3299	84	48	.	.	PROPN
cet-3299	84	49	,	,	PUNCT
cet-3299	84	50	2012	2012	NUM
cet-3299	84	51	)	)	PUNCT
cet-3299	84	52	.	.	PUNCT
cet-3299	85	1	34	34	NUM
cet-3299	85	2	data	datum	NOUN
cet-3299	85	3	were	be	AUX
cet-3299	85	4	used	use	VERB
cet-3299	85	5	in	in	ADP
cet-3299	85	6	the	the	DET
cet-3299	85	7	training	training	NOUN
cet-3299	85	8	set	set	VERB
cet-3299	85	9	to	to	PART
cet-3299	85	10	develop	develop	VERB
cet-3299	85	11	the	the	DET
cet-3299	85	12	model	model	NOUN
cet-3299	85	13	and	and	CCONJ
cet-3299	85	14	16	16	NUM
cet-3299	85	15	data	datum	NOUN
cet-3299	85	16	were	be	AUX
cet-3299	85	17	kept	keep	VERB
cet-3299	85	18	in	in	ADP
cet-3299	85	19	a	a	DET
cet-3299	85	20	validation	validation	NOUN
cet-3299	85	21	set	set	VERB
cet-3299	85	22	to	to	PART
cet-3299	85	23	test	test	VERB
cet-3299	85	24	its	its	PRON
cet-3299	85	25	predictivity	predictivity	NOUN
cet-3299	85	26	(	(	PUNCT
cet-3299	85	27	all	all	DET
cet-3299	85	28	data	datum	NOUN
cet-3299	85	29	were	be	AUX
cet-3299	85	30	extracted	extract	VERB
cet-3299	85	31	from	from	ADP
cet-3299	85	32	a	a	DET
cet-3299	85	33	single	single	ADJ
cet-3299	85	34	reference	reference	NOUN
cet-3299	85	35	)	)	PUNCT
cet-3299	85	36	.	.	PUNCT
cet-3299	86	1	the	the	DET
cet-3299	86	2	final	final	ADJ
cet-3299	86	3	model	model	NOUN
cet-3299	86	4	was	be	AUX
cet-3299	86	5	developed	develop	VERB
cet-3299	86	6	with	with	ADP
cet-3299	86	7	4	4	NUM
cet-3299	86	8	descriptors	descriptor	NOUN
cet-3299	86	9	:	:	PUNCT
cet-3299	86	10	logh50	logh50	ADJ
cet-3299	86	11	%	%	NOUN
cet-3299	86	12	=	=	SYM
cet-3299	86	13	–	–	PUNCT
cet-3299	86	14	0.018	0.018	NUM
cet-3299	86	15	ob	ob	NOUN
cet-3299	87	1	+	+	CCONJ
cet-3299	87	2	4.07	4.07	NUM
cet-3299	87	3	pqmax	pqmax	NOUN
cet-3299	87	4	-	-	PUNCT
cet-3299	87	5	qmin	qmin	NOUN
cet-3299	87	6	+	+	CCONJ
cet-3299	87	7	28.5	28.5	NUM
cet-3299	87	8	q²no2,max	q²no2,max	NOUN
cet-3299	88	1	+	+	CCONJ
cet-3299	88	2	4.80	4.80	NUM
cet-3299	88	3	no	no	NOUN
cet-3299	88	4	,	,	PUNCT
cet-3299	88	5	max	max	PROPN
cet-3299	88	6	–	–	PUNCT
cet-3299	88	7	0.438	0.438	NUM
cet-3299	88	8	(	(	PUNCT
cet-3299	88	9	2	2	NUM
cet-3299	88	10	)	)	PUNCT
cet-3299	88	11	82	82	NUM
cet-3299	88	12	where	where	SCONJ
cet-3299	88	13	h50	h50	PROPN
cet-3299	88	14	%	%	NOUN
cet-3299	88	15	is	be	AUX
cet-3299	88	16	the	the	DET
cet-3299	88	17	impact	impact	NOUN
cet-3299	88	18	sensitivity	sensitivity	NOUN
cet-3299	88	19	(	(	PUNCT
cet-3299	88	20	in	in	ADP
cet-3299	88	21	cm	cm	NOUN
cet-3299	88	22	)	)	PUNCT
cet-3299	88	23	,	,	PUNCT
cet-3299	88	24	ob	ob	ADP
cet-3299	88	25	is	be	AUX
cet-3299	88	26	the	the	DET
cet-3299	88	27	oxygen	oxygen	NOUN
cet-3299	88	28	balance	balance	NOUN
cet-3299	88	29	as	as	SCONJ
cet-3299	88	30	defined	define	VERB
cet-3299	88	31	in	in	ADP
cet-3299	88	32	the	the	DET
cet-3299	88	33	tdg	tdg	PROPN
cet-3299	88	34	regulation	regulation	NOUN
cet-3299	88	35	,	,	PUNCT
cet-3299	88	36	pqmaxqmin	pqmaxqmin	NOUN
cet-3299	88	37	is	be	AUX
cet-3299	88	38	the	the	DET
cet-3299	88	39	polarity	polarity	NOUN
cet-3299	88	40	parameter	parameter	NOUN
cet-3299	88	41	defined	define	VERB
cet-3299	88	42	by	by	ADP
cet-3299	88	43	the	the	DET
cet-3299	88	44	difference	difference	NOUN
cet-3299	88	45	between	between	ADP
cet-3299	88	46	the	the	DET
cet-3299	88	47	maximum	maximum	ADJ
cet-3299	88	48	and	and	CCONJ
cet-3299	88	49	minimum	minimum	ADJ
cet-3299	88	50	charges	charge	NOUN
cet-3299	88	51	in	in	ADP
cet-3299	88	52	the	the	DET
cet-3299	88	53	molecule	molecule	NOUN
cet-3299	88	54	,	,	PUNCT
cet-3299	88	55	q²no2,max	q²no2,max	PUNCT
cet-3299	88	56	is	be	AUX
cet-3299	88	57	the	the	DET
cet-3299	88	58	squared	squared	NOUN
cet-3299	88	59	of	of	ADP
cet-3299	88	60	the	the	DET
cet-3299	88	61	maximum	maximum	ADJ
cet-3299	88	62	no2	no2	PROPN
cet-3299	88	63	charges	charge	NOUN
cet-3299	88	64	obtained	obtain	VERB
cet-3299	88	65	by	by	ADP
cet-3299	88	66	natural	natural	ADJ
cet-3299	88	67	population	population	NOUN
cet-3299	88	68	analysis	analysis	NOUN
cet-3299	88	69	and	and	CCONJ
cet-3299	88	70	no	no	INTJ
cet-3299	88	71	,	,	PUNCT
cet-3299	88	72	max	max	PROPN
cet-3299	88	73	is	be	AUX
cet-3299	88	74	the	the	DET
cet-3299	88	75	maximum	maximum	ADJ
cet-3299	88	76	nucleophilic	nucleophilic	ADJ
cet-3299	88	77	reactivity	reactivity	NOUN
cet-3299	88	78	index	index	NOUN
cet-3299	88	79	for	for	ADP
cet-3299	88	80	a	a	DET
cet-3299	88	81	o	o	NOUN
cet-3299	88	82	atom	atom	NOUN
cet-3299	88	83	(	(	PUNCT
cet-3299	88	84	principle	principle	NOUN
cet-3299	88	85	2	2	NUM
cet-3299	88	86	)	)	PUNCT
cet-3299	88	87	.	.	PUNCT
cet-3299	89	1	it	it	PRON
cet-3299	89	2	presented	present	VERB
cet-3299	89	3	good	good	ADJ
cet-3299	89	4	correlation	correlation	NOUN
cet-3299	89	5	(	(	PUNCT
cet-3299	89	6	r²=0.93	r²=0.93	NOUN
cet-3299	89	7	,	,	PUNCT
cet-3299	89	8	rmse=0.12	rmse=0.12	NOUN
cet-3299	89	9	)	)	PUNCT
cet-3299	89	10	,	,	PUNCT
cet-3299	89	11	robustness	robustness	NOUN
cet-3299	89	12	(	(	PUNCT
cet-3299	89	13	q²loo=0.90	q²loo=0.90	ADJ
cet-3299	89	14	)	)	PUNCT
cet-3299	89	15	and	and	CCONJ
cet-3299	89	16	predictivity	predictivity	NOUN
cet-3299	89	17	(	(	PUNCT
cet-3299	89	18	r²in=0.88	r²in=0.88	PROPN
cet-3299	89	19	and	and	CCONJ
cet-3299	89	20	rmsein=0.19	rmsein=0.19	NOUN
cet-3299	89	21	)	)	PUNCT
cet-3299	89	22	(	(	PUNCT
cet-3299	89	23	principle	principle	NOUN
cet-3299	89	24	4	4	NUM
cet-3299	89	25	)	)	PUNCT
cet-3299	89	26	.	.	PUNCT
cet-3299	90	1	concerning	concern	VERB
cet-3299	90	2	chemical	chemical	NOUN
cet-3299	90	3	interpretation	interpretation	NOUN
cet-3299	90	4	(	(	PUNCT
cet-3299	90	5	principle	principle	NOUN
cet-3299	90	6	5	5	NUM
cet-3299	90	7	)	)	PUNCT
cet-3299	90	8	,	,	PUNCT
cet-3299	90	9	3	3	NUM
cet-3299	90	10	out	out	ADP
cet-3299	90	11	of	of	ADP
cet-3299	90	12	4	4	NUM
cet-3299	90	13	descriptors	descriptor	NOUN
cet-3299	90	14	are	be	AUX
cet-3299	90	15	quantum	quantum	ADJ
cet-3299	90	16	chemical	chemical	NOUN
cet-3299	90	17	descriptors	descriptor	NOUN
cet-3299	90	18	and	and	CCONJ
cet-3299	90	19	no	no	INTJ
cet-3299	90	20	,	,	PUNCT
cet-3299	90	21	max	max	PROPN
cet-3299	90	22	and	and	CCONJ
cet-3299	90	23	q2	q2	PROPN
cet-3299	90	24	no2,max	no2,max	X
cet-3299	90	25	are	be	AUX
cet-3299	90	26	related	relate	VERB
cet-3299	90	27	to	to	ADP
cet-3299	90	28	the	the	DET
cet-3299	90	29	electronic	electronic	ADJ
cet-3299	90	30	and	and	CCONJ
cet-3299	90	31	reactivity	reactivity	NOUN
cet-3299	90	32	properties	property	NOUN
cet-3299	90	33	of	of	ADP
cet-3299	90	34	nitro	nitro	NOUN
cet-3299	90	35	groups	group	NOUN
cet-3299	90	36	,	,	PUNCT
cet-3299	90	37	which	which	PRON
cet-3299	90	38	are	be	AUX
cet-3299	90	39	critical	critical	ADJ
cet-3299	90	40	in	in	ADP
cet-3299	90	41	the	the	DET
cet-3299	90	42	decomposition	decomposition	NOUN
cet-3299	90	43	process	process	NOUN
cet-3299	90	44	of	of	ADP
cet-3299	90	45	nitro	nitro	NOUN
cet-3299	90	46	compounds	compound	NOUN
cet-3299	90	47	.	.	PUNCT
cet-3299	91	1	so	so	ADV
cet-3299	91	2	,	,	PUNCT
cet-3299	91	3	this	this	DET
cet-3299	91	4	model	model	NOUN
cet-3299	91	5	meets	meet	VERB
cet-3299	91	6	all	all	DET
cet-3299	91	7	five	five	NUM
cet-3299	91	8	oecd	oecd	NOUN
cet-3299	91	9	principles	principle	NOUN
cet-3299	91	10	of	of	ADP
cet-3299	91	11	validation	validation	NOUN
cet-3299	91	12	.	.	PUNCT
cet-3299	92	1	2.3	2.3	NUM
cet-3299	92	2	case	case	NOUN
cet-3299	92	3	study	study	NOUN
cet-3299	92	4	2	2	NUM
cet-3299	92	5	:	:	PUNCT
cet-3299	92	6	qspr	qspr	NOUN
cet-3299	92	7	model	model	NOUN
cet-3299	92	8	dedicated	dedicate	VERB
cet-3299	92	9	to	to	PART
cet-3299	92	10	impact	impact	VERB
cet-3299	92	11	sensitivity	sensitivity	NOUN
cet-3299	92	12	with	with	ADP
cet-3299	92	13	constitutional	constitutional	ADJ
cet-3299	92	14	descriptors	descriptor	NOUN
cet-3299	92	15	if	if	SCONJ
cet-3299	92	16	the	the	DET
cet-3299	92	17	model	model	NOUN
cet-3299	92	18	presented	present	VERB
cet-3299	92	19	in	in	ADP
cet-3299	92	20	eq	eq	ADP
cet-3299	92	21	.	.	PROPN
cet-3299	92	22	2	2	NUM
cet-3299	92	23	requires	require	VERB
cet-3299	92	24	quantum	quantum	ADJ
cet-3299	92	25	chemical	chemical	NOUN
cet-3299	92	26	calculations	calculation	NOUN
cet-3299	92	27	,	,	PUNCT
cet-3299	92	28	another	another	DET
cet-3299	92	29	model	model	NOUN
cet-3299	92	30	was	be	AUX
cet-3299	92	31	developed	develop	VERB
cet-3299	92	32	from	from	ADP
cet-3299	92	33	simpler	simple	ADJ
cet-3299	92	34	66	66	NUM
cet-3299	92	35	constitutional	constitutional	ADJ
cet-3299	92	36	descriptors	descriptor	NOUN
cet-3299	92	37	(	(	PUNCT
cet-3299	92	38	prana	prana	NOUN
cet-3299	92	39	et	et	PROPN
cet-3299	92	40	al	al	PROPN
cet-3299	92	41	.	.	PROPN
cet-3299	92	42	,	,	PUNCT
cet-3299	92	43	2012	2012	NUM
cet-3299	92	44	)	)	PUNCT
cet-3299	92	45	.	.	PUNCT
cet-3299	93	1	it	it	PRON
cet-3299	93	2	consists	consist	VERB
cet-3299	93	3	in	in	ADP
cet-3299	93	4	a	a	DET
cet-3299	93	5	three	three	NUM
cet-3299	93	6	-	-	PUNCT
cet-3299	93	7	parameter	parameter	NOUN
cet-3299	93	8	model	model	NOUN
cet-3299	93	9	based	base	VERB
cet-3299	93	10	on	on	ADP
cet-3299	93	11	the	the	DET
cet-3299	93	12	number	number	NOUN
cet-3299	93	13	of	of	ADP
cet-3299	93	14	nitro	nitro	NOUN
cet-3299	93	15	groups	group	NOUN
cet-3299	93	16	(	(	PUNCT
cet-3299	93	17	nno2	nno2	PROPN
cet-3299	93	18	)	)	PUNCT
cet-3299	93	19	,	,	PUNCT
cet-3299	93	20	relative	relative	ADJ
cet-3299	93	21	number	number	NOUN
cet-3299	93	22	of	of	ADP
cet-3299	93	23	nitrogen	nitrogen	NOUN
cet-3299	93	24	atoms	atom	NOUN
cet-3299	93	25	(	(	PUNCT
cet-3299	93	26	nn	nn	X
cet-3299	93	27	,	,	PUNCT
cet-3299	93	28	rel	rel	NOUN
cet-3299	93	29	)	)	PUNCT
cet-3299	93	30	and	and	CCONJ
cet-3299	93	31	number	number	NOUN
cet-3299	93	32	of	of	ADP
cet-3299	93	33	single	single	ADJ
cet-3299	93	34	bonds	bond	NOUN
cet-3299	93	35	(	(	PUNCT
cet-3299	93	36	nsingle	nsingle	ADJ
cet-3299	93	37	)	)	PUNCT
cet-3299	93	38	(	(	PUNCT
cet-3299	93	39	principle	principle	NOUN
cet-3299	93	40	2	2	NUM
cet-3299	93	41	):	):	PUNCT
cet-3299	93	42	log	log	PROPN
cet-3299	93	43	h50	h50	PROPN
cet-3299	93	44	%	%	NOUN
cet-3299	93	45	=	=	SYM
cet-3299	93	46	-2.53	-2.53	X
cet-3299	93	47	nn	nn	PROPN
cet-3299	93	48	,	,	PUNCT
cet-3299	93	49	rel+	rel+	VERB
cet-3299	93	50	0.07	0.07	NUM
cet-3299	93	51	nsingle	nsingle	ADJ
cet-3299	93	52	–	–	PUNCT
cet-3299	93	53	0.25	0.25	NUM
cet-3299	93	54	nno2	nno2	NOUN
cet-3299	93	55	+	+	CCONJ
cet-3299	93	56	1.94	1.94	NUM
cet-3299	93	57	(	(	PUNCT
cet-3299	93	58	3	3	NUM
cet-3299	93	59	)	)	PUNCT
cet-3299	93	60	the	the	DET
cet-3299	93	61	predicted	predict	VERB
cet-3299	93	62	impact	impact	NOUN
cet-3299	93	63	sensitivity	sensitivity	NOUN
cet-3299	93	64	using	use	VERB
cet-3299	93	65	the	the	DET
cet-3299	93	66	model	model	NOUN
cet-3299	93	67	as	as	ADP
cet-3299	93	68	function	function	NOUN
cet-3299	93	69	of	of	ADP
cet-3299	93	70	experimental	experimental	ADJ
cet-3299	93	71	values	value	NOUN
cet-3299	93	72	is	be	AUX
cet-3299	93	73	plotted	plot	VERB
cet-3299	93	74	in	in	ADP
cet-3299	93	75	the	the	DET
cet-3299	93	76	figure	figure	NOUN
cet-3299	93	77	2	2	NUM
cet-3299	93	78	:	:	PUNCT
cet-3299	93	79	figure	figure	NOUN
cet-3299	93	80	2	2	NUM
cet-3299	93	81	:	:	PUNCT
cet-3299	93	82	experimental	experimental	ADJ
cet-3299	93	83	vs.	vs.	ADP
cet-3299	93	84	predicted	predict	VERB
cet-3299	93	85	impact	impact	NOUN
cet-3299	93	86	sensitivities	sensitivity	NOUN
cet-3299	93	87	of	of	ADP
cet-3299	93	88	nitroaliphatics	nitroaliphatic	NOUN
cet-3299	93	89	from	from	ADP
cet-3299	93	90	eq.3	eq.3	PROPN
cet-3299	93	91	this	this	DET
cet-3299	93	92	model	model	NOUN
cet-3299	93	93	is	be	AUX
cet-3299	93	94	applicable	applicable	ADJ
cet-3299	93	95	to	to	ADP
cet-3299	93	96	nitroaliphatic	nitroaliphatic	ADJ
cet-3299	93	97	compounds	compound	NOUN
cet-3299	93	98	presenting	present	VERB
cet-3299	93	99	impact	impact	NOUN
cet-3299	93	100	sensitivities	sensitivity	NOUN
cet-3299	93	101	between	between	ADP
cet-3299	93	102	6	6	NUM
cet-3299	93	103	and	and	CCONJ
cet-3299	93	104	300	300	NUM
cet-3299	93	105	cm	cm	NOUN
cet-3299	93	106	,	,	PUNCT
cet-3299	93	107	a	a	DET
cet-3299	93	108	relative	relative	ADJ
cet-3299	93	109	number	number	NOUN
cet-3299	93	110	of	of	ADP
cet-3299	93	111	nitrogen	nitrogen	NOUN
cet-3299	93	112	between	between	ADP
cet-3299	93	113	0.118	0.118	NUM
cet-3299	93	114	and	and	CCONJ
cet-3299	93	115	0.250	0.250	NUM
cet-3299	93	116	,	,	PUNCT
cet-3299	93	117	between	between	ADP
cet-3299	93	118	11	11	NUM
cet-3299	93	119	and	and	CCONJ
cet-3299	93	120	44	44	NUM
cet-3299	93	121	single	single	ADJ
cet-3299	93	122	bonds	bond	NOUN
cet-3299	93	123	and	and	CCONJ
cet-3299	93	124	between	between	ADP
cet-3299	93	125	2	2	NUM
cet-3299	93	126	and	and	CCONJ
cet-3299	93	127	12	12	NUM
cet-3299	93	128	nitro	nitro	NOUN
cet-3299	93	129	groups	group	NOUN
cet-3299	93	130	(	(	PUNCT
cet-3299	93	131	principle	principle	NOUN
cet-3299	93	132	3	3	NUM
cet-3299	93	133	)	)	PUNCT
cet-3299	93	134	.	.	PUNCT
cet-3299	94	1	it	it	PRON
cet-3299	94	2	has	have	AUX
cet-3299	94	3	been	be	AUX
cet-3299	94	4	validated	validate	VERB
cet-3299	94	5	using	use	VERB
cet-3299	94	6	a	a	DET
cet-3299	94	7	series	series	NOUN
cet-3299	94	8	of	of	ADP
cet-3299	94	9	internal	internal	ADJ
cet-3299	94	10	and	and	CCONJ
cet-3299	94	11	external	external	ADJ
cet-3299	94	12	validation	validation	NOUN
cet-3299	94	13	methods	method	NOUN
cet-3299	94	14	as	as	SCONJ
cet-3299	94	15	summarized	summarize	VERB
cet-3299	94	16	in	in	ADP
cet-3299	94	17	table	table	NOUN
cet-3299	94	18	2	2	NUM
cet-3299	94	19	(	(	PUNCT
cet-3299	94	20	principle	principle	NOUN
cet-3299	94	21	4	4	NUM
cet-3299	94	22	)	)	PUNCT
cet-3299	94	23	.	.	PUNCT
cet-3299	95	1	table	table	NOUN
cet-3299	95	2	2	2	NUM
cet-3299	95	3	:	:	PUNCT
cet-3299	95	4	performances	performance	NOUN
cet-3299	95	5	of	of	ADP
cet-3299	95	6	the	the	DET
cet-3299	95	7	qspr	qspr	NOUN
cet-3299	95	8	model	model	NOUN
cet-3299	95	9	of	of	ADP
cet-3299	95	10	eq.3	eq.3	PROPN
cet-3299	95	11	training	training	NOUN
cet-3299	95	12	set	set	VERB
cet-3299	95	13	cross	cross	NOUN
cet-3299	95	14	validation	validation	PROPN
cet-3299	95	15	y	y	PROPN
cet-3299	95	16	-	-	PUNCT
cet-3299	95	17	randomization	randomization	NOUN
cet-3299	95	18	r2	r2	PROPN
cet-3299	95	19	rmse	rmse	PROPN
cet-3299	95	20	q2	q2	PROPN
cet-3299	95	21	loo	loo	PROPN
cet-3299	95	22	q2	q2	PROPN
cet-3299	95	23	10cv	10cv	PROPN
cet-3299	95	24	q2	q2	PROPN
cet-3299	95	25	5cv	5cv	NOUN
cet-3299	95	26	r2	r2	PROPN
cet-3299	95	27	ys	ys	PROPN
cet-3299	95	28	sdys	sdys	VERB
cet-3299	95	29	0.88	0.88	NUM
cet-3299	95	30	0.17	0.17	NUM
cet-3299	95	31	0.85	0.85	NUM
cet-3299	95	32	0.84	0.84	NUM
cet-3299	95	33	0.85	0.85	NUM
cet-3299	95	34	0.09	0.09	NUM
cet-3299	95	35	0.07	0.07	NUM
cet-3299	95	36	validation	validation	NOUN
cet-3299	95	37	set	set	VERB
cet-3299	95	38	r2	r2	PROPN
cet-3299	95	39	ext	ext	NOUN
cet-3299	95	40	(	(	PUNCT
cet-3299	95	41	in	in	ADP
cet-3299	95	42	)	)	PUNCT
cet-3299	95	43	rmseext	rmseext	NOUN
cet-3299	95	44	(	(	PUNCT
cet-3299	95	45	in	in	ADP
cet-3299	95	46	)	)	PUNCT
cet-3299	95	47	q2	q2	NOUN
cet-3299	95	48	f1	f1	PROPN
cet-3299	95	49	q2	q2	PROPN
cet-3299	95	50	f2	f2	PROPN
cet-3299	95	51	q2	q2	PROPN
cet-3299	95	52	f3	f3	PROPN
cet-3299	95	53	ccc	ccc	PROPN
cet-3299	95	54	0.81	0.81	NUM
cet-3299	95	55	(	(	PUNCT
cet-3299	95	56	0.78	0.78	NUM
cet-3299	95	57	)	)	PUNCT
cet-3299	95	58	0.22	0.22	NUM
cet-3299	95	59	(	(	PUNCT
cet-3299	95	60	0.23	0.23	NUM
cet-3299	95	61	)	)	PUNCT
cet-3299	95	62	0.81	0.81	NUM
cet-3299	95	63	0.81	0.81	NUM
cet-3299	95	64	0.83	0.83	NUM
cet-3299	95	65	0.93	0.93	NUM
cet-3299	95	66	concerning	concern	VERB
cet-3299	95	67	chemical	chemical	NOUN
cet-3299	95	68	interpretation	interpretation	NOUN
cet-3299	95	69	(	(	PUNCT
cet-3299	95	70	principle	principle	NOUN
cet-3299	95	71	5	5	NUM
cet-3299	95	72	)	)	PUNCT
cet-3299	95	73	,	,	PUNCT
cet-3299	95	74	the	the	DET
cet-3299	95	75	nno2	nno2	PROPN
cet-3299	95	76	descriptor	descriptor	NOUN
cet-3299	95	77	relates	relate	VERB
cet-3299	95	78	to	to	ADP
cet-3299	95	79	the	the	DET
cet-3299	95	80	primary	primary	ADJ
cet-3299	95	81	cleavage	cleavage	NOUN
cet-3299	95	82	of	of	ADP
cet-3299	95	83	the	the	DET
cet-3299	95	84	cno2	cno2	PROPN
cet-3299	95	85	bond	bond	NOUN
cet-3299	95	86	which	which	PRON
cet-3299	95	87	is	be	AUX
cet-3299	95	88	known	know	VERB
cet-3299	95	89	to	to	PART
cet-3299	95	90	be	be	AUX
cet-3299	95	91	the	the	DET
cet-3299	95	92	main	main	ADJ
cet-3299	95	93	decomposition	decomposition	NOUN
cet-3299	95	94	mechanism	mechanism	NOUN
cet-3299	95	95	of	of	ADP
cet-3299	95	96	nitroaliphatic	nitroaliphatic	ADJ
cet-3299	95	97	compounds	compound	NOUN
cet-3299	95	98	.	.	PUNCT
cet-3299	96	1	so	so	ADV
cet-3299	96	2	,	,	PUNCT
cet-3299	96	3	this	this	DET
cet-3299	96	4	model	model	NOUN
cet-3299	96	5	meets	meet	VERB
cet-3299	96	6	all	all	DET
cet-3299	96	7	five	five	NUM
cet-3299	96	8	oecd	oecd	NOUN
cet-3299	96	9	principles	principle	NOUN
cet-3299	96	10	of	of	ADP
cet-3299	96	11	validation	validation	NOUN
cet-3299	96	12	.	.	PUNCT
cet-3299	97	1	if	if	SCONJ
cet-3299	97	2	this	this	DET
cet-3299	97	3	model	model	NOUN
cet-3299	97	4	is	be	AUX
cet-3299	97	5	slightly	slightly	ADV
cet-3299	97	6	less	less	ADV
cet-3299	97	7	accurate	accurate	ADJ
cet-3299	97	8	and	and	CCONJ
cet-3299	97	9	meaningful	meaningful	ADJ
cet-3299	97	10	than	than	ADP
cet-3299	97	11	the	the	DET
cet-3299	97	12	quantum	quantum	PROPN
cet-3299	97	13	chemical	chemical	NOUN
cet-3299	97	14	one	one	NUM
cet-3299	97	15	,	,	PUNCT
cet-3299	97	16	it	it	PRON
cet-3299	97	17	is	be	AUX
cet-3299	97	18	faster	fast	ADJ
cet-3299	97	19	and	and	CCONJ
cet-3299	97	20	easier	easy	ADJ
cet-3299	97	21	to	to	PART
cet-3299	97	22	use	use	VERB
cet-3299	97	23	for	for	ADP
cet-3299	97	24	non	non	ADJ
cet-3299	97	25	-	-	ADJ
cet-3299	97	26	experts	experts	ADJ
cet-3299	97	27	users	user	NOUN
cet-3299	97	28	as	as	SCONJ
cet-3299	97	29	it	it	PRON
cet-3299	97	30	do	do	AUX
cet-3299	97	31	not	not	PART
cet-3299	97	32	need	need	VERB
cet-3299	97	33	any	any	DET
cet-3299	97	34	quantum	quantum	ADJ
cet-3299	97	35	chemical	chemical	NOUN
cet-3299	97	36	calculation	calculation	NOUN
cet-3299	97	37	.	.	PUNCT
cet-3299	98	1	83	83	NUM
cet-3299	98	2	3	3	NUM
cet-3299	98	3	.	.	PUNCT
cet-3299	98	4	conclusion	conclusion	NOUN
cet-3299	98	5	during	during	ADP
cet-3299	98	6	the	the	DET
cet-3299	98	7	predimol	predimol	PROPN
cet-3299	98	8	project	project	NOUN
cet-3299	98	9	,	,	PUNCT
cet-3299	98	10	ineris	ineris	NOUN
cet-3299	98	11	identified	identify	VERB
cet-3299	98	12	the	the	DET
cet-3299	98	13	qsar	qsar	NOUN
cet-3299	98	14	toolbox	toolbox	NOUN
cet-3299	98	15	as	as	ADP
cet-3299	98	16	a	a	DET
cet-3299	98	17	possible	possible	ADJ
cet-3299	98	18	way	way	NOUN
cet-3299	98	19	to	to	PART
cet-3299	98	20	enhance	enhance	VERB
cet-3299	98	21	the	the	DET
cet-3299	98	22	use	use	NOUN
cet-3299	98	23	and	and	CCONJ
cet-3299	98	24	(	(	PUNCT
cet-3299	98	25	pre)-acceptability	pre)-acceptability	PROPN
cet-3299	98	26	of	of	ADP
cet-3299	98	27	qspr	qspr	NOUN
cet-3299	98	28	models	model	NOUN
cet-3299	98	29	.	.	PUNCT
cet-3299	99	1	as	as	ADP
cet-3299	99	2	a	a	DET
cet-3299	99	3	proof	proof	NOUN
cet-3299	99	4	of	of	ADP
cet-3299	99	5	concept	concept	NOUN
cet-3299	99	6	,	,	PUNCT
cet-3299	99	7	the	the	DET
cet-3299	99	8	simple	simple	ADJ
cet-3299	99	9	model	model	NOUN
cet-3299	99	10	developed	develop	VERB
cet-3299	99	11	for	for	ADP
cet-3299	99	12	the	the	DET
cet-3299	99	13	impact	impact	NOUN
cet-3299	99	14	sensitivity	sensitivity	NOUN
cet-3299	99	15	of	of	ADP
cet-3299	99	16	nitroaliphatics	nitroaliphatic	NOUN
cet-3299	99	17	presented	present	VERB
cet-3299	99	18	in	in	ADP
cet-3299	99	19	eq	eq	ADP
cet-3299	99	20	.	.	PROPN
cet-3299	99	21	3	3	NUM
cet-3299	99	22	was	be	AUX
cet-3299	99	23	proposed	propose	VERB
cet-3299	99	24	to	to	ADP
cet-3299	99	25	oecd	oecd	PROPN
cet-3299	99	26	/	/	SYM
cet-3299	99	27	echa	echa	PROPN
cet-3299	99	28	.	.	PUNCT
cet-3299	100	1	after	after	ADP
cet-3299	100	2	publication	publication	NOUN
cet-3299	100	3	(	(	PUNCT
cet-3299	100	4	prana	prana	NOUN
cet-3299	100	5	et	et	PROPN
cet-3299	100	6	al	al	PROPN
cet-3299	100	7	.	.	PROPN
cet-3299	100	8	,	,	PUNCT
cet-3299	100	9	2012	2012	NUM
cet-3299	100	10	)	)	PUNCT
cet-3299	100	11	,	,	PUNCT
cet-3299	100	12	a	a	DET
cet-3299	100	13	qmrf	qmrf	ADJ
cet-3299	100	14	document	document	NOUN
cet-3299	100	15	was	be	AUX
cet-3299	100	16	filled	fill	VERB
cet-3299	100	17	and	and	CCONJ
cet-3299	100	18	sent	send	VERB
cet-3299	100	19	to	to	ADP
cet-3299	100	20	the	the	DET
cet-3299	100	21	specific	specific	ADJ
cet-3299	100	22	expert	expert	NOUN
cet-3299	100	23	comity	comity	NOUN
cet-3299	100	24	of	of	ADP
cet-3299	100	25	the	the	DET
cet-3299	100	26	qsar	qsar	NOUN
cet-3299	100	27	toolbox	toolbox	NOUN
cet-3299	100	28	in	in	ADP
cet-3299	100	29	april	april	PROPN
cet-3299	100	30	2012	2012	NUM
cet-3299	100	31	that	that	PRON
cet-3299	100	32	stated	state	VERB
cet-3299	100	33	on	on	ADP
cet-3299	100	34	the	the	DET
cet-3299	100	35	scientific	scientific	ADJ
cet-3299	100	36	validity	validity	NOUN
cet-3299	100	37	and	and	CCONJ
cet-3299	100	38	the	the	DET
cet-3299	100	39	technical	technical	ADJ
cet-3299	100	40	feasibility	feasibility	NOUN
cet-3299	100	41	of	of	ADP
cet-3299	100	42	its	its	PRON
cet-3299	100	43	implementation	implementation	NOUN
cet-3299	100	44	in	in	ADP
cet-3299	100	45	the	the	DET
cet-3299	100	46	platform	platform	NOUN
cet-3299	100	47	.	.	PUNCT
cet-3299	101	1	finally	finally	ADV
cet-3299	101	2	,	,	PUNCT
cet-3299	101	3	this	this	DET
cet-3299	101	4	model	model	NOUN
cet-3299	101	5	was	be	AUX
cet-3299	101	6	implemented	implement	VERB
cet-3299	101	7	into	into	ADP
cet-3299	101	8	the	the	DET
cet-3299	101	9	qsar	qsar	NOUN
cet-3299	101	10	toolbox	toolbox	NOUN
cet-3299	101	11	in	in	ADP
cet-3299	101	12	its	its	PRON
cet-3299	101	13	version	version	NOUN
cet-3299	101	14	3.3	3.3	NUM
cet-3299	101	15	in	in	ADP
cet-3299	101	16	december	december	PROPN
cet-3299	101	17	2014	2014	NUM
cet-3299	101	18	and	and	CCONJ
cet-3299	101	19	communication	communication	NOUN
cet-3299	101	20	appeared	appear	VERB
cet-3299	101	21	in	in	ADP
cet-3299	101	22	the	the	DET
cet-3299	101	23	echa	echa	PROPN
cet-3299	101	24	newsletter	newsletter	NOUN
cet-3299	101	25	of	of	ADP
cet-3299	101	26	february	february	PROPN
cet-3299	101	27	2015	2015	NUM
cet-3299	101	28	.	.	PUNCT
cet-3299	102	1	if	if	SCONJ
cet-3299	102	2	it	it	PRON
cet-3299	102	3	does	do	AUX
cet-3299	102	4	not	not	PART
cet-3299	102	5	represent	represent	VERB
cet-3299	102	6	a	a	DET
cet-3299	102	7	legal	legal	ADJ
cet-3299	102	8	acceptance	acceptance	NOUN
cet-3299	102	9	of	of	ADP
cet-3299	102	10	the	the	DET
cet-3299	102	11	model	model	NOUN
cet-3299	102	12	by	by	ADP
cet-3299	102	13	regulatory	regulatory	ADJ
cet-3299	102	14	bodies	body	NOUN
cet-3299	102	15	,	,	PUNCT
cet-3299	102	16	it	it	PRON
cet-3299	102	17	demonstrates	demonstrate	VERB
cet-3299	102	18	the	the	DET
cet-3299	102	19	reliability	reliability	NOUN
cet-3299	102	20	of	of	ADP
cet-3299	102	21	the	the	DET
cet-3299	102	22	models	model	NOUN
cet-3299	102	23	developed	develop	VERB
cet-3299	102	24	by	by	ADP
cet-3299	102	25	ineris	ineris	PROPN
cet-3299	102	26	.	.	PUNCT
cet-3299	103	1	reference	reference	NOUN
cet-3299	103	2	codessa	codessa	PROPN
cet-3299	103	3	software	software	NOUN
cet-3299	103	4	,	,	PUNCT
cet-3299	103	5	2002	2002	NUM
cet-3299	103	6	,	,	PUNCT
cet-3299	103	7	university	university	NOUN
cet-3299	103	8	of	of	ADP
cet-3299	103	9	florida	florida	PROPN
cet-3299	103	10	.	.	PUNCT
cet-3299	104	1	chirico	chirico	PROPN
cet-3299	104	2	n.	n.	PROPN
cet-3299	104	3	,	,	PUNCT
cet-3299	104	4	gramatica	gramatica	PROPN
cet-3299	104	5	,	,	PUNCT
cet-3299	104	6	p.	p.	NOUN
cet-3299	104	7	,	,	PUNCT
cet-3299	104	8	2012	2012	NUM
cet-3299	104	9	,	,	PUNCT
cet-3299	104	10	real	real	ADJ
cet-3299	104	11	external	external	ADJ
cet-3299	104	12	predictivity	predictivity	NOUN
cet-3299	104	13	of	of	ADP
cet-3299	104	14	qsar	qsar	NOUN
cet-3299	104	15	models	model	NOUN
cet-3299	104	16	.	.	PUNCT
cet-3299	105	1	part	part	NOUN
cet-3299	105	2	2	2	NUM
cet-3299	105	3	.	.	X
cet-3299	105	4	new	new	ADJ
cet-3299	105	5	intercomparable	intercomparable	ADJ
cet-3299	105	6	thresholds	threshold	NOUN
cet-3299	105	7	for	for	ADP
cet-3299	105	8	different	different	ADJ
cet-3299	105	9	validation	validation	NOUN
cet-3299	105	10	criteria	criterion	NOUN
cet-3299	105	11	and	and	CCONJ
cet-3299	105	12	the	the	DET
cet-3299	105	13	need	need	NOUN
cet-3299	105	14	for	for	ADP
cet-3299	105	15	scatter	scatter	NOUN
cet-3299	105	16	plot	plot	NOUN
cet-3299	105	17	inspection	inspection	NOUN
cet-3299	105	18	,	,	PUNCT
cet-3299	105	19	j.	j.	PROPN
cet-3299	105	20	chem	chem	PROPN
cet-3299	105	21	.	.	PUNCT
cet-3299	106	1	inf	inf	PROPN
cet-3299	106	2	.	.	PROPN
cet-3299	106	3	model	model	PROPN
cet-3299	106	4	.	.	PROPN
cet-3299	106	5	,	,	PUNCT
cet-3299	106	6	52	52	NUM
cet-3299	106	7	(	(	PUNCT
cet-3299	106	8	8)	8)	NUM
cet-3299	106	9	,	,	PUNCT
cet-3299	106	10	2044	2044	NUM
cet-3299	106	11	-	-	SYM
cet-3299	106	12	2058	2058	NUM
cet-3299	106	13	.	.	PUNCT
cet-3299	107	1	dearden	dearden	PROPN
cet-3299	108	1	j.c	j.c	PROPN
cet-3299	108	2	.	.	PROPN
cet-3299	108	3	,	,	PUNCT
cet-3299	108	4	rotureau	rotureau	PROPN
cet-3299	108	5	p.	p.	PROPN
cet-3299	108	6	,	,	PUNCT
cet-3299	108	7	fayet	fayet	PROPN
cet-3299	108	8	g.	g.	PROPN
cet-3299	108	9	,	,	PUNCT
cet-3299	108	10	2013	2013	NUM
cet-3299	108	11	,	,	PUNCT
cet-3299	108	12	qspr	qspr	NOUN
cet-3299	108	13	prediction	prediction	NOUN
cet-3299	108	14	of	of	ADP
cet-3299	108	15	physico	physico	NOUN
cet-3299	108	16	-	-	PUNCT
cet-3299	108	17	chemical	chemical	NOUN
cet-3299	108	18	properties	property	NOUN
cet-3299	108	19	for	for	ADP
cet-3299	108	20	reach	reach	NOUN
cet-3299	108	21	,	,	PUNCT
cet-3299	108	22	sar	sar	PROPN
cet-3299	108	23	qsar	qsar	PROPN
cet-3299	108	24	environ	environ	PROPN
cet-3299	108	25	.	.	PUNCT
cet-3299	109	1	res	re	NOUN
cet-3299	109	2	.	.	PROPN
cet-3299	110	1	24	24	NUM
cet-3299	110	2	,	,	PUNCT
cet-3299	110	3	279	279	NUM
cet-3299	110	4	-	-	SYM
cet-3299	110	5	318	318	NUM
cet-3299	110	6	.	.	PUNCT
cet-3299	111	1	ec	ec	PROPN
cet-3299	111	2	,	,	PUNCT
cet-3299	111	3	regulation	regulation	NOUN
cet-3299	111	4	(	(	PUNCT
cet-3299	111	5	ec	ec	PROPN
cet-3299	111	6	)	)	PUNCT
cet-3299	111	7	n	n	CCONJ
cet-3299	111	8	°	°	NUM
cet-3299	111	9	1907/2006	1907/2006	NUM
cet-3299	111	10	of	of	ADP
cet-3299	111	11	the	the	DET
cet-3299	111	12	european	european	ADJ
cet-3299	111	13	parliament	parliament	NOUN
cet-3299	111	14	and	and	CCONJ
cet-3299	111	15	of	of	ADP
cet-3299	111	16	the	the	DET
cet-3299	111	17	council	council	NOUN
cet-3299	111	18	of	of	ADP
cet-3299	111	19	18	18	NUM
cet-3299	111	20	december	december	PROPN
cet-3299	111	21	2006	2006	NUM
cet-3299	111	22	concerning	concern	VERB
cet-3299	111	23	the	the	DET
cet-3299	111	24	registration	registration	NOUN
cet-3299	111	25	,	,	PUNCT
cet-3299	111	26	evaluation	evaluation	NOUN
cet-3299	111	27	,	,	PUNCT
cet-3299	111	28	authorisation	authorisation	NOUN
cet-3299	111	29	and	and	CCONJ
cet-3299	111	30	restriction	restriction	NOUN
cet-3299	111	31	of	of	ADP
cet-3299	111	32	chemicals	chemical	NOUN
cet-3299	111	33	(	(	PUNCT
cet-3299	111	34	reach	reach	NOUN
cet-3299	111	35	)	)	PUNCT
cet-3299	111	36	.	.	PUNCT
cet-3299	112	1	echa	echa	PROPN
cet-3299	112	2	,	,	PUNCT
cet-3299	112	3	european	european	PROPN
cet-3299	112	4	chemicals	chemical	NOUN
cet-3299	112	5	agency	agency	NOUN
cet-3299	112	6	,	,	PUNCT
cet-3299	112	7	2008	2008	NUM
cet-3299	112	8	,	,	PUNCT
cet-3299	112	9	guidance	guidance	NOUN
cet-3299	112	10	document	document	NOUN
cet-3299	112	11	on	on	ADP
cet-3299	112	12	information	information	NOUN
cet-3299	112	13	requirements	requirement	NOUN
cet-3299	112	14	and	and	CCONJ
cet-3299	112	15	chemical	chemical	NOUN
cet-3299	112	16	safety	safety	NOUN
cet-3299	112	17	assessment	assessment	NOUN
cet-3299	112	18	,	,	PUNCT
cet-3299	112	19	chapter	chapter	NOUN
cet-3299	112	20	r.6	r.6	NOUN
cet-3299	112	21	:	:	PUNCT
cet-3299	112	22	qsars	qsar	NOUN
cet-3299	112	23	and	and	CCONJ
cet-3299	112	24	grouping	grouping	NOUN
cet-3299	112	25	of	of	ADP
cet-3299	112	26	chemicals	chemical	NOUN
cet-3299	112	27	,	,	PUNCT
cet-3299	112	28	echa	echa	PROPN
cet-3299	112	29	,	,	PUNCT
cet-3299	112	30	helsinki	helsinki	PROPN
cet-3299	112	31	.	.	PUNCT
cet-3299	113	1	fayet	fayet	PROPN
cet-3299	113	2	g.	g.	PROPN
cet-3299	113	3	,	,	PUNCT
cet-3299	113	4	rotureau	rotureau	PROPN
cet-3299	113	5	p.	p.	PROPN
cet-3299	113	6	,	,	PUNCT
cet-3299	113	7	joubert	joubert	PROPN
cet-3299	113	8	l.	l.	PROPN
cet-3299	113	9	,	,	PUNCT
cet-3299	113	10	adamo	adamo	PROPN
cet-3299	113	11	c.	c.	PROPN
cet-3299	113	12	,	,	PUNCT
cet-3299	113	13	2011	2011	NUM
cet-3299	113	14	,	,	PUNCT
cet-3299	113	15	development	development	NOUN
cet-3299	113	16	of	of	ADP
cet-3299	113	17	a	a	DET
cet-3299	113	18	qspr	qspr	NOUN
cet-3299	113	19	model	model	NOUN
cet-3299	113	20	for	for	ADP
cet-3299	113	21	predicting	predict	VERB
cet-3299	113	22	thermal	thermal	ADJ
cet-3299	113	23	stabilities	stability	NOUN
cet-3299	113	24	of	of	ADP
cet-3299	113	25	nitroaromatic	nitroaromatic	ADJ
cet-3299	113	26	compounds	compound	NOUN
cet-3299	113	27	taking	take	VERB
cet-3299	113	28	into	into	ADP
cet-3299	113	29	account	account	NOUN
cet-3299	113	30	their	their	PRON
cet-3299	113	31	decomposition	decomposition	NOUN
cet-3299	113	32	mechanisms	mechanism	NOUN
cet-3299	113	33	,	,	PUNCT
cet-3299	113	34	j.	j.	PROPN
cet-3299	113	35	mol	mol	PROPN
cet-3299	113	36	.	.	PROPN
cet-3299	113	37	model	model	PROPN
cet-3299	113	38	.	.	PROPN
cet-3299	113	39	,	,	PUNCT
cet-3299	113	40	17	17	NUM
cet-3299	113	41	,	,	PUNCT
cet-3299	113	42	2443	2443	NUM
cet-3299	113	43	-	-	SYM
cet-3299	113	44	2453	2453	NUM
cet-3299	113	45	.	.	PUNCT
cet-3299	114	1	fayet	fayet	PROPN
cet-3299	114	2	g.	g.	PROPN
cet-3299	114	3	,	,	PUNCT
cet-3299	114	4	rotureau	rotureau	PROPN
cet-3299	114	5	p.	p.	PROPN
cet-3299	114	6	,	,	PUNCT
cet-3299	114	7	prana	prana	PROPN
cet-3299	114	8	v.	v.	PROPN
cet-3299	114	9	,	,	PUNCT
cet-3299	114	10	adamo	adamo	PROPN
cet-3299	114	11	c.	c.	PROPN
cet-3299	114	12	,	,	PUNCT
cet-3299	114	13	2013	2013	NUM
cet-3299	114	14	,	,	PUNCT
cet-3299	114	15	prediction	prediction	NOUN
cet-3299	114	16	of	of	ADP
cet-3299	114	17	physico	physico	NOUN
cet-3299	114	18	-	-	PUNCT
cet-3299	114	19	chemical	chemical	NOUN
cet-3299	114	20	properties	property	NOUN
cet-3299	114	21	for	for	ADP
cet-3299	114	22	reach	reach	NOUN
cet-3299	114	23	based	base	VERB
cet-3299	114	24	on	on	ADP
cet-3299	114	25	qspr	qspr	NOUN
cet-3299	114	26	models	model	NOUN
cet-3299	114	27	,	,	PUNCT
cet-3299	114	28	chemical	chemical	NOUN
cet-3299	114	29	engineering	engineering	NOUN
cet-3299	114	30	transactions	transaction	NOUN
cet-3299	114	31	,	,	PUNCT
cet-3299	114	32	31	31	NUM
cet-3299	114	33	,	,	PUNCT
cet-3299	114	34	925	925	NUM
cet-3299	114	35	-	-	SYM
cet-3299	114	36	930	930	NUM
cet-3299	114	37	,	,	PUNCT
cet-3299	114	38	doi	doi	NOUN
cet-3299	114	39	:	:	PUNCT
cet-3299	114	40	10.3303	10.3303	NUM
cet-3299	114	41	/	/	SYM
cet-3299	114	42	cet1331155	cet1331155	NOUN
cet-3299	114	43	.	.	PUNCT
cet-3299	115	1	fayet	fayet	PROPN
cet-3299	115	2	g.	g.	PROPN
cet-3299	115	3	,	,	PUNCT
cet-3299	115	4	rotureau	rotureau	PROPN
cet-3299	115	5	p.	p.	PROPN
cet-3299	115	6	,	,	PUNCT
cet-3299	115	7	2014	2014	NUM
cet-3299	115	8	,	,	PUNCT
cet-3299	115	9	development	development	NOUN
cet-3299	115	10	of	of	ADP
cet-3299	115	11	simple	simple	ADJ
cet-3299	115	12	qspr	qspr	NOUN
cet-3299	115	13	models	model	NOUN
cet-3299	115	14	for	for	ADP
cet-3299	115	15	the	the	DET
cet-3299	115	16	impact	impact	NOUN
cet-3299	115	17	sensitivity	sensitivity	NOUN
cet-3299	115	18	of	of	ADP
cet-3299	115	19	nitramines	nitramine	NOUN
cet-3299	115	20	j.	j.	PROPN
cet-3299	115	21	loss	loss	PROPN
cet-3299	115	22	prev	prev	PROPN
cet-3299	115	23	.	.	PUNCT
cet-3299	116	1	process	process	NOUN
cet-3299	116	2	ind	ind	PROPN
cet-3299	116	3	.	.	PUNCT
cet-3299	116	4	,	,	PUNCT
cet-3299	116	5	30	30	NUM
cet-3299	116	6	,	,	PUNCT
cet-3299	116	7	1	1	NUM
cet-3299	116	8	-	-	SYM
cet-3299	116	9	8	8	NUM
cet-3299	116	10	.	.	PUNCT
cet-3299	117	1	gaudin	gaudin	PROPN
cet-3299	117	2	t.	t.	PROPN
cet-3299	117	3	,	,	PUNCT
cet-3299	117	4	rotureau	rotureau	PROPN
cet-3299	117	5	p.	p.	PROPN
cet-3299	117	6	,	,	PUNCT
cet-3299	117	7	fayet	fayet	PROPN
cet-3299	117	8	g.	g.	PROPN
cet-3299	117	9	,	,	PUNCT
cet-3299	117	10	2014	2014	NUM
cet-3299	117	11	,	,	PUNCT
cet-3299	117	12	combining	combine	VERB
cet-3299	117	13	mixing	mix	VERB
cet-3299	117	14	rules	rule	NOUN
cet-3299	117	15	with	with	ADP
cet-3299	117	16	qspr	qspr	NOUN
cet-3299	117	17	models	model	NOUN
cet-3299	117	18	for	for	ADP
cet-3299	117	19	pure	pure	ADJ
cet-3299	117	20	chemicals	chemical	NOUN
cet-3299	117	21	to	to	PART
cet-3299	117	22	predict	predict	VERB
cet-3299	117	23	the	the	DET
cet-3299	117	24	flash	flash	NOUN
cet-3299	117	25	points	point	NOUN
cet-3299	117	26	of	of	ADP
cet-3299	117	27	binary	binary	ADJ
cet-3299	117	28	organic	organic	ADJ
cet-3299	117	29	liquid	liquid	ADJ
cet-3299	117	30	mixtures	mixture	NOUN
cet-3299	117	31	,	,	PUNCT
cet-3299	117	32	fire	fire	NOUN
cet-3299	117	33	safety	safety	NOUN
cet-3299	117	34	j.	j.	PROPN
cet-3299	117	35	,	,	PUNCT
cet-3299	117	36	74	74	NUM
cet-3299	117	37	,	,	PUNCT
cet-3299	117	38	61	61	NUM
cet-3299	117	39	-	-	SYM
cet-3299	117	40	70	70	NUM
cet-3299	117	41	.	.	PUNCT
cet-3299	118	1	gaudin	gaudin	PROPN
cet-3299	118	2	t.	t.	PROPN
cet-3299	118	3	,	,	PUNCT
cet-3299	118	4	rotureau	rotureau	PROPN
cet-3299	118	5	p.	p.	PROPN
cet-3299	118	6	,	,	PUNCT
cet-3299	118	7	fayet	fayet	PROPN
cet-3299	118	8	g.	g.	PROPN
cet-3299	118	9	,	,	PUNCT
cet-3299	118	10	2015	2015	NUM
cet-3299	118	11	,	,	PUNCT
cet-3299	118	12	mixture	mixture	NOUN
cet-3299	118	13	descriptors	descriptor	NOUN
cet-3299	118	14	toward	toward	ADP
cet-3299	118	15	the	the	DET
cet-3299	118	16	development	development	NOUN
cet-3299	118	17	of	of	ADP
cet-3299	118	18	quantitative	quantitative	ADJ
cet-3299	118	19	structureproperty	structureproperty	NOUN
cet-3299	118	20	relationship	relationship	NOUN
cet-3299	118	21	models	model	NOUN
cet-3299	118	22	for	for	ADP
cet-3299	118	23	the	the	DET
cet-3299	118	24	flash	flash	NOUN
cet-3299	118	25	points	point	NOUN
cet-3299	118	26	of	of	ADP
cet-3299	118	27	organic	organic	ADJ
cet-3299	118	28	mixtures	mixture	NOUN
cet-3299	118	29	,	,	PUNCT
cet-3299	118	30	ind	ind	NOUN
cet-3299	118	31	.	.	PUNCT
cet-3299	119	1	eng	eng	PROPN
cet-3299	119	2	.	.	PROPN
cet-3299	119	3	chem	chem	PROPN
cet-3299	119	4	.	.	PUNCT
cet-3299	120	1	res	re	NOUN
cet-3299	120	2	.	.	PROPN
cet-3299	120	3	,	,	PUNCT
cet-3299	120	4	54	54	NUM
cet-3299	120	5	,	,	PUNCT
cet-3299	120	6	6596	6596	NUM
cet-3299	120	7	-	-	SYM
cet-3299	120	8	6604	6604	NUM
cet-3299	120	9	.	.	PUNCT
cet-3299	121	1	gaussian	gaussian	NOUN
cet-3299	121	2	09	09	NUM
cet-3299	121	3	,	,	PUNCT
cet-3299	121	4	revision	revision	NOUN
cet-3299	121	5	b.01	b.01	ADP
cet-3299	121	6	,	,	PUNCT
cet-3299	121	7	2009	2009	NUM
cet-3299	121	8	,	,	PUNCT
cet-3299	121	9	frisch	frisch	PROPN
cet-3299	121	10	,	,	PUNCT
cet-3299	121	11	m.	m.	NOUN
cet-3299	121	12	j.	j.	PROPN
cet-3299	121	13	et	et	PROPN
cet-3299	121	14	al	al	PROPN
cet-3299	121	15	.	.	PROPN
cet-3299	121	16	,	,	PUNCT
cet-3299	121	17	gaussian	gaussian	PROPN
cet-3299	121	18	,	,	PUNCT
cet-3299	121	19	inc	inc	PROPN
cet-3299	121	20	.	.	PROPN
cet-3299	121	21	,	,	PUNCT
cet-3299	121	22	wallingford	wallingford	PROPN
cet-3299	121	23	ct	ct	PROPN
cet-3299	121	24	.	.	PUNCT
cet-3299	122	1	gramatica	gramatica	PROPN
cet-3299	122	2	p.	p.	PROPN
cet-3299	122	3	,	,	PUNCT
cet-3299	122	4	2007	2007	NUM
cet-3299	122	5	,	,	PUNCT
cet-3299	122	6	principles	principle	NOUN
cet-3299	122	7	of	of	ADP
cet-3299	122	8	qsar	qsar	NOUN
cet-3299	122	9	models	model	NOUN
cet-3299	122	10	validation	validation	NOUN
cet-3299	122	11	:	:	PUNCT
cet-3299	122	12	internal	internal	ADJ
cet-3299	122	13	and	and	CCONJ
cet-3299	122	14	external	external	ADJ
cet-3299	122	15	,	,	PUNCT
cet-3299	122	16	qsar	qsar	NOUN
cet-3299	122	17	comb	comb	NOUN
cet-3299	122	18	.	.	PUNCT
cet-3299	123	1	sci	sci	PROPN
cet-3299	123	2	.	.	PROPN
cet-3299	123	3	26	26	NUM
cet-3299	123	4	,	,	PUNCT
cet-3299	123	5	694701	694701	NUM
cet-3299	123	6	.	.	PUNCT
cet-3299	124	1	jeliazkova	jeliazkova	PROPN
cet-3299	124	2	n.	n.	PROPN
cet-3299	124	3	,	,	PUNCT
cet-3299	124	4	jaworska	jaworska	PROPN
cet-3299	124	5	j.	j.	PROPN
cet-3299	124	6	,	,	PUNCT
cet-3299	124	7	2007	2007	NUM
cet-3299	124	8	,	,	PUNCT
cet-3299	124	9	ambit	ambit	NOUN
cet-3299	124	10	discovery	discovery	NOUN
cet-3299	124	11	,	,	PUNCT
cet-3299	124	12	version	version	NOUN
cet-3299	124	13	1.20	1.20	NUM
cet-3299	124	14	.	.	PUNCT
cet-3299	125	1	jrc	jrc	PROPN
cet-3299	125	2	qsar	qsar	PROPN
cet-3299	125	3	model	model	PROPN
cet-3299	125	4	database	database	PROPN
cet-3299	125	5	,	,	PUNCT
cet-3299	125	6	<	<	X
cet-3299	125	7	http://qsardb.jrc.it	http://qsardb.jrc.it	X
cet-3299	125	8	>	>	X
cet-3299	125	9	accessed	access	VERB
cet-3299	125	10	09.09.2015	09.09.2015	NOUN
cet-3299	125	11	.	.	PUNCT
cet-3299	125	12	karelson	karelson	PROPN
cet-3299	125	13	m.	m.	PROPN
cet-3299	125	14	,	,	PUNCT
cet-3299	125	15	2000	2000	NUM
cet-3299	125	16	,	,	PUNCT
cet-3299	125	17	molecular	molecular	ADJ
cet-3299	125	18	descriptors	descriptor	NOUN
cet-3299	125	19	in	in	ADP
cet-3299	125	20	qsar	qsar	NOUN
cet-3299	125	21	/	/	SYM
cet-3299	125	22	qspr	qspr	NOUN
cet-3299	125	23	,	,	PUNCT
cet-3299	125	24	wiley	wiley	PROPN
cet-3299	125	25	,	,	PUNCT
cet-3299	125	26	new	new	PROPN
cet-3299	125	27	york	york	PROPN
cet-3299	125	28	.	.	PUNCT
cet-3299	126	1	katritzky	katritzky	PROPN
cet-3299	126	2	,	,	PUNCT
cet-3299	126	3	a.	a.	PROPN
cet-3299	126	4	r.	r.	PROPN
cet-3299	126	5	,	,	PUNCT
cet-3299	126	6	kuanar	kuanar	PROPN
cet-3299	126	7	,	,	PUNCT
cet-3299	126	8	m.	m.	NOUN
cet-3299	126	9	,	,	PUNCT
cet-3299	126	10	slavov	slavov	PROPN
cet-3299	126	11	,	,	PUNCT
cet-3299	126	12	s.	s.	PROPN
cet-3299	126	13	,	,	PUNCT
cet-3299	126	14	hall	hall	PROPN
cet-3299	126	15	,	,	PUNCT
cet-3299	126	16	c.	c.	PROPN
cet-3299	126	17	d.	d.	PROPN
cet-3299	126	18	,	,	PUNCT
cet-3299	126	19	karelson	karelson	PROPN
cet-3299	126	20	,	,	PUNCT
cet-3299	126	21	m.	m.	NOUN
cet-3299	126	22	,	,	PUNCT
cet-3299	126	23	kahn	kahn	PROPN
cet-3299	126	24	,	,	PUNCT
cet-3299	126	25	i.	i.	PROPN
cet-3299	126	26	,	,	PUNCT
cet-3299	126	27	dobchev	dobchev	PROPN
cet-3299	126	28	,	,	PUNCT
cet-3299	126	29	d.	d.	PROPN
cet-3299	126	30	a.	a.	PROPN
cet-3299	126	31	,	,	PUNCT
cet-3299	126	32	2010	2010	NUM
cet-3299	126	33	,	,	PUNCT
cet-3299	126	34	quantitative	quantitative	ADJ
cet-3299	126	35	correlation	correlation	NOUN
cet-3299	126	36	of	of	ADP
cet-3299	126	37	physical	physical	ADJ
cet-3299	126	38	and	and	CCONJ
cet-3299	126	39	chemical	chemical	NOUN
cet-3299	126	40	properties	property	NOUN
cet-3299	126	41	with	with	ADP
cet-3299	126	42	chemical	chemical	ADJ
cet-3299	126	43	structure	structure	NOUN
cet-3299	126	44	:	:	PUNCT
cet-3299	126	45	utility	utility	NOUN
cet-3299	126	46	for	for	ADP
cet-3299	126	47	prediction	prediction	NOUN
cet-3299	126	48	.	.	PUNCT
cet-3299	127	1	chem	chem	PROPN
cet-3299	127	2	.	.	PUNCT
cet-3299	128	1	rev	rev	PROPN
cet-3299	128	2	.	.	PROPN
cet-3299	128	3	,	,	PUNCT
cet-3299	128	4	110	110	NUM
cet-3299	128	5	,	,	PUNCT
cet-3299	128	6	5714	5714	NUM
cet-3299	128	7	-	-	SYM
cet-3299	128	8	5789	5789	NUM
cet-3299	128	9	.	.	PUNCT
cet-3299	129	1	oecd	oecd	PROPN
cet-3299	129	2	,	,	PUNCT
cet-3299	129	3	guidance	guidance	NOUN
cet-3299	129	4	document	document	NOUN
cet-3299	129	5	on	on	ADP
cet-3299	129	6	the	the	DET
cet-3299	129	7	validation	validation	NOUN
cet-3299	129	8	of	of	ADP
cet-3299	129	9	(	(	PUNCT
cet-3299	129	10	quantitative	quantitative	ADJ
cet-3299	129	11	)	)	PUNCT
cet-3299	129	12	structure	structure	NOUN
cet-3299	129	13	-	-	PUNCT
cet-3299	129	14	activity	activity	NOUN
cet-3299	129	15	relationships	relationship	NOUN
cet-3299	129	16	[	[	X
cet-3299	129	17	(	(	PUNCT
cet-3299	129	18	q)sar	q)sar	NOUN
cet-3299	129	19	]	]	PUNCT
cet-3299	129	20	models	model	NOUN
cet-3299	129	21	,	,	PUNCT
cet-3299	129	22	oecd	oecd	PROPN
cet-3299	129	23	,	,	PUNCT
cet-3299	129	24	paris	paris	PROPN
cet-3299	129	25	,	,	PUNCT
cet-3299	129	26	2007	2007	NUM
cet-3299	129	27	.	.	PUNCT
cet-3299	130	1	prana	prana	PROPN
cet-3299	130	2	v.	v.	ADV
cet-3299	130	3	,	,	PUNCT
cet-3299	130	4	fayet	fayet	PROPN
cet-3299	130	5	g.	g.	PROPN
cet-3299	130	6	,	,	PUNCT
cet-3299	130	7	rotureau	rotureau	PROPN
cet-3299	130	8	p.	p.	PROPN
cet-3299	130	9	,	,	PUNCT
cet-3299	130	10	adamo	adamo	PROPN
cet-3299	130	11	c.	c.	PROPN
cet-3299	130	12	,	,	PUNCT
cet-3299	130	13	development	development	NOUN
cet-3299	130	14	of	of	ADP
cet-3299	130	15	validated	validate	VERB
cet-3299	130	16	qspr	qspr	NOUN
cet-3299	130	17	models	model	NOUN
cet-3299	130	18	for	for	ADP
cet-3299	130	19	impact	impact	NOUN
cet-3299	130	20	sensitivity	sensitivity	NOUN
cet-3299	130	21	of	of	ADP
cet-3299	130	22	nitroaliphatic	nitroaliphatic	ADJ
cet-3299	130	23	compounds	compound	NOUN
cet-3299	130	24	,	,	PUNCT
cet-3299	130	25	j.	j.	PROPN
cet-3299	130	26	hazard	hazard	PROPN
cet-3299	130	27	.	.	PUNCT
cet-3299	131	1	mater	mater	NOUN
cet-3299	131	2	.	.	PROPN
cet-3299	131	3	,	,	PUNCT
cet-3299	131	4	2012	2012	NUM
cet-3299	131	5	,	,	PUNCT
cet-3299	131	6	235	235	NUM
cet-3299	131	7	-	-	SYM
cet-3299	131	8	236	236	NUM
cet-3299	131	9	,	,	PUNCT
cet-3299	131	10	169	169	NUM
cet-3299	131	11	-	-	SYM
cet-3299	131	12	177	177	NUM
cet-3299	131	13	.	.	PUNCT
cet-3299	132	1	prana	prana	PROPN
cet-3299	132	2	v.	v.	ADV
cet-3299	132	3	,	,	PUNCT
cet-3299	132	4	rotureau	rotureau	PROPN
cet-3299	132	5	p.	p.	PROPN
cet-3299	132	6	,	,	PUNCT
cet-3299	132	7	fayet	fayet	PROPN
cet-3299	132	8	g.	g.	PROPN
cet-3299	132	9	,	,	PUNCT
cet-3299	132	10	andré	andré	PROPN
cet-3299	132	11	d.	d.	PROPN
cet-3299	132	12	,	,	PUNCT
cet-3299	132	13	hub	hub	PROPN
cet-3299	132	14	s.	s.	PROPN
cet-3299	132	15	,	,	PUNCT
cet-3299	132	16	vicot	vicot	PROPN
cet-3299	132	17	p.	p.	NOUN
cet-3299	132	18	,	,	PUNCT
cet-3299	132	19	rao	rao	PROPN
cet-3299	132	20	l.	l.	PROPN
cet-3299	132	21	,	,	PUNCT
cet-3299	132	22	adamo	adamo	PROPN
cet-3299	132	23	c.	c.	PROPN
cet-3299	132	24	,	,	PUNCT
cet-3299	132	25	prediction	prediction	NOUN
cet-3299	132	26	of	of	ADP
cet-3299	132	27	the	the	DET
cet-3299	132	28	thermal	thermal	ADJ
cet-3299	132	29	decomposition	decomposition	NOUN
cet-3299	132	30	of	of	ADP
cet-3299	132	31	organic	organic	ADJ
cet-3299	132	32	peroxides	peroxide	NOUN
cet-3299	132	33	by	by	ADP
cet-3299	132	34	validated	validate	VERB
cet-3299	132	35	qspr	qspr	NOUN
cet-3299	132	36	models	model	NOUN
cet-3299	132	37	,	,	PUNCT
cet-3299	132	38	j.	j.	PROPN
cet-3299	132	39	hazard	hazard	PROPN
cet-3299	132	40	.	.	PUNCT
cet-3299	133	1	mater	mater	PROPN
cet-3299	133	2	.	.	PROPN
cet-3299	133	3	,	,	PUNCT
cet-3299	133	4	2014	2014	NUM
cet-3299	133	5	,	,	PUNCT
cet-3299	133	6	276	276	NUM
cet-3299	133	7	,	,	PUNCT
cet-3299	133	8	216	216	NUM
cet-3299	133	9	-	-	SYM
cet-3299	133	10	224	224	NUM
cet-3299	133	11	.	.	PUNCT
cet-3299	134	1	predimol	predimol	PROPN
cet-3299	134	2	project	project	NOUN
cet-3299	134	3	,	,	PUNCT
cet-3299	134	4	<	<	X
cet-3299	134	5	www.ineris.fr/predimol/	www.ineris.fr/predimol/	X
cet-3299	134	6	>	>	X
cet-3299	134	7	accessed	access	VERB
cet-3299	134	8	09.09.2015	09.09.2015	NOUN
cet-3299	134	9	.	.	PUNCT
cet-3299	135	1	qsar	qsar	PROPN
cet-3299	135	2	toolbox	toolbox	NOUN
cet-3299	135	3	,	,	PUNCT
cet-3299	135	4	<	<	X
cet-3299	135	5	http://www.qsartoolbox.org	http://www.qsartoolbox.org	X
cet-3299	135	6	>	>	X
cet-3299	135	7	accessed	access	VERB
cet-3299	135	8	09.09.2015	09.09.2015	NOUN
cet-3299	135	9	.	.	PUNCT
cet-3299	135	10	un	un	PROPN
cet-3299	135	11	,	,	PUNCT
cet-3299	135	12	recommendations	recommendation	NOUN
cet-3299	135	13	on	on	ADP
cet-3299	135	14	the	the	DET
cet-3299	135	15	transport	transport	NOUN
cet-3299	135	16	of	of	ADP
cet-3299	135	17	dangerous	dangerous	ADJ
cet-3299	135	18	goods	good	NOUN
cet-3299	135	19	:	:	PUNCT
cet-3299	135	20	manual	manual	NOUN
cet-3299	135	21	of	of	ADP
cet-3299	135	22	tests	test	NOUN
cet-3299	135	23	and	and	CCONJ
cet-3299	135	24	criteria	criterion	NOUN
cet-3299	135	25	,	,	PUNCT
cet-3299	135	26	st	st	PROPN
cet-3299	135	27	/	/	SYM
cet-3299	135	28	sg	sg	PROPN
cet-3299	135	29	/	/	SYM
cet-3299	135	30	ac.10	ac.10	ADJ
cet-3299	135	31	/	/	SYM
cet-3299	135	32	rev.5	rev.5	ADJ
cet-3299	135	33	fifth	fifth	ADJ
cet-3299	135	34	revised	revise	VERB
cet-3299	135	35	edition	edition	NOUN
cet-3299	135	36	,	,	PUNCT
cet-3299	135	37	united	united	PROPN
cet-3299	135	38	nations	nations	PROPN
cet-3299	135	39	,	,	PUNCT
cet-3299	135	40	geneva	geneva	PROPN
cet-3299	135	41	/	/	SYM
cet-3299	135	42	new	new	PROPN
cet-3299	135	43	-	-	PUNCT
cet-3299	135	44	york	york	NOUN
cet-3299	135	45	,	,	PUNCT
cet-3299	135	46	2011	2011	NUM
cet-3299	135	47	.	.	PUNCT
cet-3299	136	1	worth	worth	ADJ
cet-3299	136	2	a.p	a.p	PROPN
cet-3299	136	3	.	.	PROPN
cet-3299	136	4	,	,	PUNCT
cet-3299	136	5	in	in	ADP
cet-3299	136	6	recent	recent	ADJ
cet-3299	136	7	advances	advance	NOUN
cet-3299	136	8	in	in	ADP
cet-3299	136	9	qsar	qsar	NOUN
cet-3299	136	10	studies	study	NOUN
cet-3299	136	11	,	,	PUNCT
cet-3299	136	12	2010	2010	NUM
cet-3299	136	13	,	,	PUNCT
cet-3299	136	14	eds	ed	NOUN
cet-3299	136	15	.	.	PUNCT
cet-3299	137	1	t.	t.	PROPN
cet-3299	137	2	puzyn	puzyn	PROPN
cet-3299	137	3	,	,	PUNCT
cet-3299	137	4	j.	j.	PROPN
cet-3299	137	5	leszczynski	leszczynski	PROPN
cet-3299	137	6	and	and	CCONJ
cet-3299	137	7	m.	m.	PROPN
cet-3299	137	8	t.	t.	PROPN
cet-3299	137	9	cronin	cronin	PROPN
cet-3299	137	10	,	,	PUNCT
cet-3299	137	11	springer	springer	PROPN
cet-3299	137	12	netherlands	netherlands	PROPN
cet-3299	137	13	,	,	PUNCT
cet-3299	137	14	8	8	NUM
cet-3299	137	15	,	,	PUNCT
cet-3299	137	16	367	367	NUM
cet-3299	137	17	-	-	SYM
cet-3299	137	18	382	382	NUM
cet-3299	137	19	.	.	PUNCT
cet-3299	137	20	84	84	NUM