id	sid	tid	token	lemma	pos
eurjchem-1765	1	1	qsar	qsar	NOUN
eurjchem-1765	1	2	and	and	CCONJ
eurjchem-1765	1	3	docking	dock	VERB
eurjchem-1765	1	4	studies	study	NOUN
eurjchem-1765	1	5	of	of	ADP
eurjchem-1765	1	6	α	α	PROPN
eurjchem-1765	1	7	,	,	PUNCT
eurjchem-1765	1	8	β	β	ADJ
eurjchem-1765	1	9	-	-	ADJ
eurjchem-1765	1	10	unsaturated	unsaturate	VERB
eurjchem-1765	1	11	carbonyl	carbonyl	NOUN
eurjchem-1765	1	12	compounds	compound	NOUN
eurjchem-1765	1	13	against	against	ADP
eurjchem-1765	1	14	human	human	ADJ
eurjchem-1765	1	15	breast	breast	NOUN
eurjchem-1765	1	16	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-1765	1	17	cell	cell	NOUN
eurjchem-1765	1	18	line	line	NOUN
eurjchem-1765	1	19	mcf-7	mcf-7	PUNCT
eurjchem-1765	1	20	european	european	ADJ
eurjchem-1765	1	21	journal	journal	PROPN
eurjchem-1765	1	22	of	of	ADP
eurjchem-1765	1	23	chemistry	chemistry	NOUN
eurjchem-1765	1	24	9	9	NUM
eurjchem-1765	1	25	(	(	PUNCT
eurjchem-1765	1	26	3	3	NUM
eurjchem-1765	1	27	)	)	PUNCT
eurjchem-1765	1	28	(	(	PUNCT
eurjchem-1765	1	29	2018	2018	NUM
eurjchem-1765	1	30	)	)	PUNCT
eurjchem-1765	1	31	275	275	NUM
eurjchem-1765	1	32	-	-	SYM
eurjchem-1765	1	33	280	280	NUM
eurjchem-1765	1	34	european	european	ADJ
eurjchem-1765	1	35	journal	journal	NOUN
eurjchem-1765	1	36	of	of	ADP
eurjchem-1765	1	37	chemistry	chemistry	NOUN
eurjchem-1765	1	38	view	view	NOUN
eurjchem-1765	1	39	journal	journal	PROPN
eurjchem-1765	1	40	online	online	PROPN
eurjchem-1765	1	41	view	view	NOUN
eurjchem-1765	1	42	article	article	NOUN
eurjchem-1765	1	43	online	online	PROPN
eurjchem-1765	1	44	qsar	qsar	PROPN
eurjchem-1765	1	45	and	and	CCONJ
eurjchem-1765	1	46	docking	dock	VERB
eurjchem-1765	1	47	studies	study	NOUN
eurjchem-1765	1	48	of	of	ADP
eurjchem-1765	1	49	α	α	PROPN
eurjchem-1765	1	50	,	,	PUNCT
eurjchem-1765	1	51	β	β	ADJ
eurjchem-1765	1	52	-	-	ADJ
eurjchem-1765	1	53	unsaturated	unsaturate	VERB
eurjchem-1765	1	54	carbonyl	carbonyl	NOUN
eurjchem-1765	1	55	compounds	compound	NOUN
eurjchem-1765	1	56	against	against	ADP
eurjchem-1765	1	57	human	human	ADJ
eurjchem-1765	1	58	breast	breast	NOUN
eurjchem-1765	1	59	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-1765	1	60	cell	cell	NOUN
eurjchem-1765	1	61	line	line	NOUN
eurjchem-1765	1	62	mcf-7	mcf-7	PRON
eurjchem-1765	1	63	maysoon	maysoon	NOUN
eurjchem-1765	1	64	mohammed	mohammed	PROPN
eurjchem-1765	1	65	almahdi	almahdi	NOUN
eurjchem-1765	1	66	1	1	NUM
eurjchem-1765	1	67	,	,	PUNCT
eurjchem-1765	1	68	*	*	PUNCT
eurjchem-1765	1	69	,	,	PUNCT
eurjchem-1765	1	70	ahmed	ahmed	PROPN
eurjchem-1765	1	71	elsadig	elsadig	PROPN
eurjchem-1765	1	72	mohamed	mohamed	PROPN
eurjchem-1765	1	73	saeed	saeed	PROPN
eurjchem-1765	1	74	2	2	PROPN
eurjchem-1765	1	75	and	and	CCONJ
eurjchem-1765	1	76	nadia	nadia	PROPN
eurjchem-1765	1	77	hanafy	hanafy	PROPN
eurjchem-1765	1	78	metwally	metwally	ADV
eurjchem-1765	1	79	3	3	NUM
eurjchem-1765	1	80	1	1	NUM
eurjchem-1765	1	81	department	department	NOUN
eurjchem-1765	1	82	of	of	ADP
eurjchem-1765	1	83	chemistry	chemistry	NOUN
eurjchem-1765	1	84	,	,	PUNCT
eurjchem-1765	1	85	college	college	NOUN
eurjchem-1765	1	86	of	of	ADP
eurjchem-1765	1	87	education	education	NOUN
eurjchem-1765	1	88	,	,	PUNCT
eurjchem-1765	1	89	alzaiem	alzaiem	ADJ
eurjchem-1765	1	90	alazhari	alazhari	PROPN
eurjchem-1765	1	91	university	university	PROPN
eurjchem-1765	1	92	,	,	PUNCT
eurjchem-1765	1	93	1432	1432	NUM
eurjchem-1765	1	94	,	,	PUNCT
eurjchem-1765	1	95	khartoum	khartoum	PROPN
eurjchem-1765	1	96	,	,	PUNCT
eurjchem-1765	1	97	sudan	sudan	PROPN
eurjchem-1765	1	98	maysoon256@hotmail.com	maysoon256@hotmail.com	PROPN
eurjchem-1765	1	99	(	(	PUNCT
eurjchem-1765	1	100	m.m.a	m.m.a	NOUN
eurjchem-1765	1	101	.	.	PUNCT
eurjchem-1765	1	102	)	)	PUNCT
eurjchem-1765	2	1	2	2	NUM
eurjchem-1765	2	2	department	department	NOUN
eurjchem-1765	2	3	of	of	ADP
eurjchem-1765	2	4	chemistry	chemistry	NOUN
eurjchem-1765	2	5	,	,	PUNCT
eurjchem-1765	2	6	college	college	NOUN
eurjchem-1765	2	7	of	of	ADP
eurjchem-1765	2	8	science	science	PROPN
eurjchem-1765	2	9	,	,	PUNCT
eurjchem-1765	2	10	sudan	sudan	PROPN
eurjchem-1765	2	11	university	university	PROPN
eurjchem-1765	2	12	of	of	ADP
eurjchem-1765	2	13	science	science	NOUN
eurjchem-1765	2	14	and	and	CCONJ
eurjchem-1765	2	15	technology	technology	NOUN
eurjchem-1765	2	16	,	,	PUNCT
eurjchem-1765	2	17	407	407	NUM
eurjchem-1765	2	18	,	,	PUNCT
eurjchem-1765	2	19	khartoum	khartoum	PROPN
eurjchem-1765	2	20	,	,	PUNCT
eurjchem-1765	2	21	sudan	sudan	PROPN
eurjchem-1765	2	22	asmsaeed@gmail.com	asmsaeed@gmail.com	PROPN
eurjchem-1765	2	23	(	(	PUNCT
eurjchem-1765	2	24	a.e.m.s	a.e.m.s	PROPN
eurjchem-1765	2	25	.	.	PUNCT
eurjchem-1765	2	26	)	)	PUNCT
eurjchem-1765	3	1	3	3	NUM
eurjchem-1765	3	2	department	department	NOUN
eurjchem-1765	3	3	of	of	ADP
eurjchem-1765	3	4	chemistry	chemistry	NOUN
eurjchem-1765	3	5	,	,	PUNCT
eurjchem-1765	3	6	faculty	faculty	NOUN
eurjchem-1765	3	7	of	of	ADP
eurjchem-1765	3	8	science	science	NOUN
eurjchem-1765	3	9	,	,	PUNCT
eurjchem-1765	3	10	cairo	cairo	PROPN
eurjchem-1765	3	11	university	university	PROPN
eurjchem-1765	3	12	,	,	PUNCT
eurjchem-1765	3	13	12613	12613	NUM
eurjchem-1765	3	14	,	,	PUNCT
eurjchem-1765	3	15	giza	giza	PROPN
eurjchem-1765	3	16	,	,	PUNCT
eurjchem-1765	3	17	egypt	egypt	PROPN
eurjchem-1765	3	18	nhmmohamed@yahoo.com	nhmmohamed@yahoo.com	X
eurjchem-1765	3	19	(	(	PUNCT
eurjchem-1765	3	20	n.h.m	n.h.m	ADJ
eurjchem-1765	3	21	.	.	PUNCT
eurjchem-1765	3	22	)	)	PUNCT
eurjchem-1765	4	1	*	*	PUNCT
eurjchem-1765	4	2	corresponding	correspond	VERB
eurjchem-1765	4	3	author	author	NOUN
eurjchem-1765	4	4	at	at	ADP
eurjchem-1765	4	5	:	:	PUNCT
eurjchem-1765	4	6	department	department	NOUN
eurjchem-1765	4	7	of	of	ADP
eurjchem-1765	4	8	chemistry	chemistry	NOUN
eurjchem-1765	4	9	,	,	PUNCT
eurjchem-1765	4	10	college	college	NOUN
eurjchem-1765	4	11	of	of	ADP
eurjchem-1765	4	12	education	education	NOUN
eurjchem-1765	4	13	,	,	PUNCT
eurjchem-1765	4	14	alzaiem	alzaiem	ADJ
eurjchem-1765	4	15	alazhari	alazhari	PROPN
eurjchem-1765	4	16	university	university	PROPN
eurjchem-1765	4	17	,	,	PUNCT
eurjchem-1765	4	18	1432	1432	NUM
eurjchem-1765	4	19	,	,	PUNCT
eurjchem-1765	4	20	khartoum	khartoum	PROPN
eurjchem-1765	4	21	,	,	PUNCT
eurjchem-1765	4	22	sudan	sudan	PROPN
eurjchem-1765	4	23	.	.	PUNCT
eurjchem-1765	5	1	tel	tel	ADP
eurjchem-1765	5	2	:	:	PUNCT
eurjchem-1765	5	3	+249.9245.65006	+249.9245.65006	ADJ
eurjchem-1765	5	4	fax	fax	NOUN
eurjchem-1765	5	5	:	:	PUNCT
eurjchem-1765	5	6	+249.185.344511	+249.185.344511	NUM
eurjchem-1765	5	7	e	e	NOUN
eurjchem-1765	5	8	-	-	NOUN
eurjchem-1765	5	9	mail	mail	NOUN
eurjchem-1765	5	10	:	:	PUNCT
eurjchem-1765	5	11	maysoon256@hotmail.com	maysoon256@hotmail.com	PROPN
eurjchem-1765	5	12	(	(	PUNCT
eurjchem-1765	5	13	m.m	m.m	PROPN
eurjchem-1765	5	14	.	.	PROPN
eurjchem-1765	5	15	almahdi	almahdi	PROPN
eurjchem-1765	5	16	)	)	PUNCT
eurjchem-1765	5	17	.	.	PUNCT
eurjchem-1765	6	1	10.5155	10.5155	NUM
eurjchem-1765	6	2	/	/	SYM
eurjchem-1765	6	3	eurjchem.9.3.275	eurjchem.9.3.275	PROPN
eurjchem-1765	6	4	-	-	PUNCT
eurjchem-1765	6	5	280.1765	280.1765	PROPN
eurjchem-1765	6	6	received	receive	VERB
eurjchem-1765	6	7	:	:	PUNCT
eurjchem-1765	6	8	19	19	NUM
eurjchem-1765	6	9	june	june	PROPN
eurjchem-1765	6	10	2018	2018	NUM
eurjchem-1765	6	11	received	receive	VERB
eurjchem-1765	6	12	in	in	ADP
eurjchem-1765	6	13	revised	revise	VERB
eurjchem-1765	6	14	form	form	NOUN
eurjchem-1765	6	15	:	:	PUNCT
eurjchem-1765	6	16	11	11	NUM
eurjchem-1765	6	17	july	july	PROPN
eurjchem-1765	6	18	2018	2018	NUM
eurjchem-1765	6	19	accepted	accept	VERB
eurjchem-1765	6	20	:	:	PUNCT
eurjchem-1765	6	21	28	28	NUM
eurjchem-1765	6	22	july	july	PROPN
eurjchem-1765	6	23	2018	2018	NUM
eurjchem-1765	6	24	published	publish	VERB
eurjchem-1765	6	25	online	online	ADV
eurjchem-1765	6	26	:	:	PUNCT
eurjchem-1765	6	27	30	30	NUM
eurjchem-1765	6	28	september	september	PROPN
eurjchem-1765	6	29	2018	2018	NUM
eurjchem-1765	6	30	printed	print	VERB
eurjchem-1765	6	31	:	:	PUNCT
eurjchem-1765	6	32	30	30	NUM
eurjchem-1765	6	33	september	september	PROPN
eurjchem-1765	6	34	2018	2018	NUM
eurjchem-1765	6	35	a	a	DET
eurjchem-1765	6	36	quantitative	quantitative	ADJ
eurjchem-1765	6	37	structure	structure	NOUN
eurjchem-1765	6	38	-	-	PUNCT
eurjchem-1765	6	39	activity	activity	NOUN
eurjchem-1765	6	40	relationships	relationship	NOUN
eurjchem-1765	6	41	(	(	PUNCT
eurjchem-1765	6	42	qsar	qsar	NOUN
eurjchem-1765	6	43	)	)	PUNCT
eurjchem-1765	6	44	studies	study	NOUN
eurjchem-1765	6	45	were	be	AUX
eurjchem-1765	6	46	carried	carry	VERB
eurjchem-1765	6	47	out	out	ADP
eurjchem-1765	6	48	by	by	ADP
eurjchem-1765	6	49	correlating	correlate	VERB
eurjchem-1765	6	50	activity	activity	NOUN
eurjchem-1765	6	51	against	against	ADP
eurjchem-1765	6	52	human	human	ADJ
eurjchem-1765	6	53	breast	breast	NOUN
eurjchem-1765	6	54	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-1765	6	55	cell	cell	NOUN
eurjchem-1765	6	56	line	line	NOUN
eurjchem-1765	6	57	mcf-7	mcf-7	PUNCT
eurjchem-1765	6	58	of	of	ADP
eurjchem-1765	6	59	series	series	NOUN
eurjchem-1765	6	60	of	of	ADP
eurjchem-1765	6	61	α	α	PROPN
eurjchem-1765	6	62	,	,	PUNCT
eurjchem-1765	6	63	βunsaturated	βunsaturate	VERB
eurjchem-1765	6	64	carbonyl	carbonyl	NOUN
eurjchem-1765	6	65	compounds	compound	NOUN
eurjchem-1765	6	66	with	with	ADP
eurjchem-1765	6	67	their	their	PRON
eurjchem-1765	6	68	physicochemical	physicochemical	ADJ
eurjchem-1765	6	69	descriptors	descriptor	NOUN
eurjchem-1765	6	70	using	use	VERB
eurjchem-1765	6	71	multiple	multiple	ADJ
eurjchem-1765	6	72	linear	linear	ADJ
eurjchem-1765	6	73	regression	regression	NOUN
eurjchem-1765	6	74	method	method	NOUN
eurjchem-1765	6	75	.	.	PUNCT
eurjchem-1765	7	1	the	the	DET
eurjchem-1765	7	2	predictability	predictability	NOUN
eurjchem-1765	7	3	of	of	ADP
eurjchem-1765	7	4	the	the	DET
eurjchem-1765	7	5	qsar	qsar	NOUN
eurjchem-1765	7	6	model	model	NOUN
eurjchem-1765	7	7	was	be	AUX
eurjchem-1765	7	8	estimated	estimate	VERB
eurjchem-1765	7	9	using	use	VERB
eurjchem-1765	7	10	internal	internal	ADJ
eurjchem-1765	7	11	and	and	CCONJ
eurjchem-1765	7	12	external	external	ADJ
eurjchem-1765	7	13	predictivity	predictivity	NOUN
eurjchem-1765	7	14	methods	method	NOUN
eurjchem-1765	7	15	.	.	PUNCT
eurjchem-1765	8	1	the	the	DET
eurjchem-1765	8	2	best	good	ADJ
eurjchem-1765	8	3	qsar	qsar	NOUN
eurjchem-1765	8	4	model	model	NOUN
eurjchem-1765	8	5	was	be	AUX
eurjchem-1765	8	6	selected	select	VERB
eurjchem-1765	8	7	,	,	PUNCT
eurjchem-1765	8	8	having	have	VERB
eurjchem-1765	8	9	the	the	DET
eurjchem-1765	8	10	squared	square	VERB
eurjchem-1765	8	11	correlation	correlation	NOUN
eurjchem-1765	8	12	coefficient	coefficient	NOUN
eurjchem-1765	8	13	r2	r2	PROPN
eurjchem-1765	8	14	=	=	SYM
eurjchem-1765	8	15	0.84684	0.84684	NUM
eurjchem-1765	8	16	,	,	PUNCT
eurjchem-1765	8	17	correlation	correlation	NOUN
eurjchem-1765	8	18	coefficient	coefficient	NOUN
eurjchem-1765	8	19	r	r	NOUN
eurjchem-1765	8	20	=	=	SYM
eurjchem-1765	8	21	0.9202	0.9202	NUM
eurjchem-1765	8	22	,	,	PUNCT
eurjchem-1765	8	23	standard	standard	ADJ
eurjchem-1765	8	24	deviation	deviation	NOUN
eurjchem-1765	8	25	s	s	PART
eurjchem-1765	8	26	=	=	NOUN
eurjchem-1765	8	27	0.38484	0.38484	NUM
eurjchem-1765	8	28	,	,	PUNCT
eurjchem-1765	8	29	and	and	CCONJ
eurjchem-1765	8	30	cross	cross	ADJ
eurjchem-1765	8	31	-	-	ADJ
eurjchem-1765	8	32	validated	validated	ADJ
eurjchem-1765	8	33	squared	square	VERB
eurjchem-1765	8	34	correlation	correlation	NOUN
eurjchem-1765	8	35	coefficient	coefficient	NOUN
eurjchem-1765	8	36	q2	q2	NOUN
eurjchem-1765	8	37	=	=	SYM
eurjchem-1765	8	38	0.7621	0.7621	NUM
eurjchem-1765	8	39	.	.	PUNCT
eurjchem-1765	9	1	model	model	NOUN
eurjchem-1765	9	2	obtained	obtain	VERB
eurjchem-1765	9	3	was	be	AUX
eurjchem-1765	9	4	used	use	VERB
eurjchem-1765	9	5	to	to	PART
eurjchem-1765	9	6	predicted	predict	VERB
eurjchem-1765	9	7	the	the	DET
eurjchem-1765	9	8	activity	activity	NOUN
eurjchem-1765	9	9	against	against	ADP
eurjchem-1765	9	10	breast	breast	NOUN
eurjchem-1765	9	11	cancer	cancer	NOUN
eurjchem-1765	9	12	for	for	ADP
eurjchem-1765	9	13	a	a	DET
eurjchem-1765	9	14	set	set	NOUN
eurjchem-1765	9	15	of	of	ADP
eurjchem-1765	9	16	designed	design	VERB
eurjchem-1765	9	17	α	α	PROPN
eurjchem-1765	9	18	,	,	PUNCT
eurjchem-1765	9	19	β	β	ADJ
eurjchem-1765	9	20	-	-	ADJ
eurjchem-1765	9	21	unsaturated	unsaturate	VERB
eurjchem-1765	9	22	carbonyl	carbonyl	NOUN
eurjchem-1765	9	23	compounds	compound	NOUN
eurjchem-1765	9	24	(	(	PUNCT
eurjchem-1765	9	25	a1	a1	NOUN
eurjchem-1765	9	26	-	-	PUNCT
eurjchem-1765	9	27	a16	a16	NOUN
eurjchem-1765	9	28	)	)	PUNCT
eurjchem-1765	9	29	.	.	PUNCT
eurjchem-1765	10	1	docking	dock	VERB
eurjchem-1765	10	2	studies	study	NOUN
eurjchem-1765	10	3	was	be	AUX
eurjchem-1765	10	4	performed	perform	VERB
eurjchem-1765	10	5	for	for	ADP
eurjchem-1765	10	6	a1	a1	NOUN
eurjchem-1765	10	7	-	-	PUNCT
eurjchem-1765	10	8	a16	a16	NOUN
eurjchem-1765	10	9	compounds	compound	VERB
eurjchem-1765	10	10	to	to	PART
eurjchem-1765	10	11	evaluated	evaluated	VERB
eurjchem-1765	10	12	their	their	PRON
eurjchem-1765	10	13	inhibition	inhibition	NOUN
eurjchem-1765	10	14	on	on	ADP
eurjchem-1765	10	15	c	c	NOUN
eurjchem-1765	10	16	-	-	PUNCT
eurjchem-1765	10	17	met	meet	VERB
eurjchem-1765	10	18	kinase	kinase	NOUN
eurjchem-1765	10	19	,	,	PUNCT
eurjchem-1765	10	20	which	which	PRON
eurjchem-1765	10	21	has	have	AUX
eurjchem-1765	10	22	been	be	AUX
eurjchem-1765	10	23	overexpressed	overexpresse	VERB
eurjchem-1765	10	24	in	in	ADP
eurjchem-1765	10	25	a	a	DET
eurjchem-1765	10	26	number	number	NOUN
eurjchem-1765	10	27	of	of	ADP
eurjchem-1765	10	28	cancers	cancer	NOUN
eurjchem-1765	10	29	.	.	PUNCT
eurjchem-1765	11	1	qsar	qsar	PROPN
eurjchem-1765	11	2	c	c	NOUN
eurjchem-1765	11	3	-	-	PUNCT
eurjchem-1765	11	4	met	meet	VERB
eurjchem-1765	11	5	mcf-7	mcf-7	PRON
eurjchem-1765	11	6	cancer	cancer	NOUN
eurjchem-1765	11	7	molecular	molecular	ADJ
eurjchem-1765	11	8	docking	docking	NOUN
eurjchem-1765	11	9	α	α	NOUN
eurjchem-1765	11	10	,	,	PUNCT
eurjchem-1765	11	11	β	β	ADJ
eurjchem-1765	11	12	-	-	ADJ
eurjchem-1765	11	13	unsaturated	unsaturate	VERB
eurjchem-1765	11	14	compounds	compound	NOUN
eurjchem-1765	11	15	cite	cite	VERB
eurjchem-1765	11	16	this	this	PRON
eurjchem-1765	11	17	:	:	PUNCT
eurjchem-1765	11	18	eur	eur	PROPN
eurjchem-1765	11	19	.	.	PUNCT
eurjchem-1765	12	1	j.	j.	PROPN
eurjchem-1765	12	2	chem	chem	PROPN
eurjchem-1765	12	3	.	.	PUNCT
eurjchem-1765	13	1	2018	2018	NUM
eurjchem-1765	13	2	,	,	PUNCT
eurjchem-1765	13	3	9(3	9(3	NUM
eurjchem-1765	13	4	)	)	PUNCT
eurjchem-1765	13	5	,	,	PUNCT
eurjchem-1765	13	6	275	275	NUM
eurjchem-1765	13	7	-	-	SYM
eurjchem-1765	13	8	280	280	NUM
eurjchem-1765	13	9	journal	journal	NOUN
eurjchem-1765	13	10	website	website	NOUN
eurjchem-1765	13	11	:	:	PUNCT
eurjchem-1765	13	12	www.eurjchem.com	www.eurjchem.com	X
eurjchem-1765	13	13	1	1	X
eurjchem-1765	13	14	.	.	PUNCT
eurjchem-1765	14	1	introduction	introduction	NOUN
eurjchem-1765	14	2	cancer	cancer	NOUN
eurjchem-1765	14	3	is	be	AUX
eurjchem-1765	14	4	a	a	DET
eurjchem-1765	14	5	group	group	NOUN
eurjchem-1765	14	6	of	of	ADP
eurjchem-1765	14	7	illness	illness	NOUN
eurjchem-1765	14	8	that	that	PRON
eurjchem-1765	14	9	results	result	VERB
eurjchem-1765	14	10	from	from	ADP
eurjchem-1765	14	11	cells	cell	NOUN
eurjchem-1765	14	12	in	in	ADP
eurjchem-1765	14	13	the	the	DET
eurjchem-1765	14	14	body	body	NOUN
eurjchem-1765	14	15	growing	grow	VERB
eurjchem-1765	14	16	abnormally	abnormally	ADV
eurjchem-1765	14	17	.	.	PUNCT
eurjchem-1765	15	1	these	these	DET
eurjchem-1765	15	2	cells	cell	NOUN
eurjchem-1765	15	3	divide	divide	VERB
eurjchem-1765	15	4	and	and	CCONJ
eurjchem-1765	15	5	produce	produce	VERB
eurjchem-1765	15	6	new	new	ADJ
eurjchem-1765	15	7	cells	cell	NOUN
eurjchem-1765	15	8	in	in	ADP
eurjchem-1765	15	9	an	an	DET
eurjchem-1765	15	10	uncontrolled	uncontrolled	ADJ
eurjchem-1765	15	11	way	way	NOUN
eurjchem-1765	15	12	that	that	PRON
eurjchem-1765	15	13	can	can	AUX
eurjchem-1765	15	14	spread	spread	VERB
eurjchem-1765	15	15	throughout	throughout	ADP
eurjchem-1765	15	16	the	the	DET
eurjchem-1765	15	17	body	body	NOUN
eurjchem-1765	15	18	and	and	CCONJ
eurjchem-1765	15	19	cause	cause	VERB
eurjchem-1765	15	20	damage	damage	NOUN
eurjchem-1765	15	21	to	to	ADP
eurjchem-1765	15	22	essential	essential	ADJ
eurjchem-1765	15	23	organs	organ	NOUN
eurjchem-1765	15	24	[	[	X
eurjchem-1765	15	25	1	1	NUM
eurjchem-1765	15	26	]	]	PUNCT
eurjchem-1765	15	27	.	.	PUNCT
eurjchem-1765	16	1	despite	despite	SCONJ
eurjchem-1765	16	2	recent	recent	ADJ
eurjchem-1765	16	3	advances	advance	NOUN
eurjchem-1765	16	4	in	in	ADP
eurjchem-1765	16	5	cancer	cancer	NOUN
eurjchem-1765	16	6	therapy	therapy	NOUN
eurjchem-1765	16	7	,	,	PUNCT
eurjchem-1765	16	8	cancer	cancer	NOUN
eurjchem-1765	16	9	is	be	AUX
eurjchem-1765	16	10	still	still	ADV
eurjchem-1765	16	11	the	the	DET
eurjchem-1765	16	12	second	second	ADJ
eurjchem-1765	16	13	leading	lead	VERB
eurjchem-1765	16	14	cause	cause	NOUN
eurjchem-1765	16	15	of	of	ADP
eurjchem-1765	16	16	death	death	NOUN
eurjchem-1765	16	17	after	after	ADP
eurjchem-1765	16	18	cardiovascular	cardiovascular	ADJ
eurjchem-1765	16	19	disorders	disorder	NOUN
eurjchem-1765	16	20	throughout	throughout	ADP
eurjchem-1765	16	21	the	the	DET
eurjchem-1765	16	22	world	world	NOUN
eurjchem-1765	17	1	[	[	X
eurjchem-1765	17	2	2	2	NUM
eurjchem-1765	17	3	]	]	PUNCT
eurjchem-1765	17	4	,	,	PUNCT
eurjchem-1765	17	5	and	and	CCONJ
eurjchem-1765	17	6	it	it	PRON
eurjchem-1765	17	7	is	be	AUX
eurjchem-1765	17	8	projected	project	VERB
eurjchem-1765	17	9	to	to	PART
eurjchem-1765	17	10	be	be	AUX
eurjchem-1765	17	11	the	the	DET
eurjchem-1765	17	12	primary	primary	ADJ
eurjchem-1765	17	13	cause	cause	NOUN
eurjchem-1765	17	14	of	of	ADP
eurjchem-1765	17	15	death	death	NOUN
eurjchem-1765	17	16	within	within	ADP
eurjchem-1765	17	17	the	the	DET
eurjchem-1765	17	18	coming	come	VERB
eurjchem-1765	17	19	years	year	NOUN
eurjchem-1765	18	1	[	[	X
eurjchem-1765	18	2	3	3	NUM
eurjchem-1765	18	3	]	]	PUNCT
eurjchem-1765	18	4	.	.	PUNCT
eurjchem-1765	19	1	breast	breast	NOUN
eurjchem-1765	19	2	cancer	cancer	NOUN
eurjchem-1765	19	3	is	be	AUX
eurjchem-1765	19	4	the	the	DET
eurjchem-1765	19	5	most	most	ADV
eurjchem-1765	19	6	common	common	ADJ
eurjchem-1765	19	7	type	type	NOUN
eurjchem-1765	19	8	of	of	ADP
eurjchem-1765	19	9	cancer	cancer	NOUN
eurjchem-1765	19	10	in	in	ADP
eurjchem-1765	19	11	women	woman	NOUN
eurjchem-1765	19	12	all	all	ADV
eurjchem-1765	19	13	over	over	ADP
eurjchem-1765	19	14	the	the	DET
eurjchem-1765	19	15	world	world	NOUN
eurjchem-1765	19	16	.	.	PUNCT
eurjchem-1765	20	1	cancerous	cancerous	ADJ
eurjchem-1765	20	2	breast	breast	NOUN
eurjchem-1765	20	3	cells	cell	NOUN
eurjchem-1765	20	4	have	have	VERB
eurjchem-1765	20	5	receptors	receptor	NOUN
eurjchem-1765	20	6	for	for	ADP
eurjchem-1765	20	7	binding	bind	VERB
eurjchem-1765	20	8	with	with	ADP
eurjchem-1765	20	9	estrogen	estrogen	NOUN
eurjchem-1765	20	10	and	and	CCONJ
eurjchem-1765	20	11	progesterone	progesterone	NOUN
eurjchem-1765	20	12	to	to	PART
eurjchem-1765	20	13	stimulate	stimulate	VERB
eurjchem-1765	20	14	a	a	DET
eurjchem-1765	20	15	growth	growth	NOUN
eurjchem-1765	20	16	responses	response	NOUN
eurjchem-1765	20	17	[	[	X
eurjchem-1765	20	18	4	4	NUM
eurjchem-1765	20	19	]	]	PUNCT
eurjchem-1765	20	20	.	.	PUNCT
eurjchem-1765	21	1	estrogens	estrogen	NOUN
eurjchem-1765	21	2	control	control	VERB
eurjchem-1765	21	3	the	the	DET
eurjchem-1765	21	4	development	development	NOUN
eurjchem-1765	21	5	and	and	CCONJ
eurjchem-1765	21	6	maintenance	maintenance	NOUN
eurjchem-1765	21	7	of	of	ADP
eurjchem-1765	21	8	the	the	DET
eurjchem-1765	21	9	female	female	ADJ
eurjchem-1765	21	10	sex	sex	NOUN
eurjchem-1765	21	11	organs	organ	NOUN
eurjchem-1765	21	12	,	,	PUNCT
eurjchem-1765	21	13	secondary	secondary	ADJ
eurjchem-1765	21	14	sex	sex	NOUN
eurjchem-1765	21	15	characteristics	characteristic	NOUN
eurjchem-1765	21	16	,	,	PUNCT
eurjchem-1765	21	17	and	and	CCONJ
eurjchem-1765	21	18	mammary	mammary	ADJ
eurjchem-1765	21	19	glands	gland	NOUN
eurjchem-1765	21	20	,	,	PUNCT
eurjchem-1765	21	21	as	as	ADV
eurjchem-1765	21	22	well	well	ADV
eurjchem-1765	21	23	as	as	ADP
eurjchem-1765	21	24	certain	certain	ADJ
eurjchem-1765	21	25	functions	function	NOUN
eurjchem-1765	21	26	of	of	ADP
eurjchem-1765	21	27	the	the	DET
eurjchem-1765	21	28	uterus	uterus	NOUN
eurjchem-1765	21	29	and	and	CCONJ
eurjchem-1765	21	30	its	its	PRON
eurjchem-1765	21	31	accessory	accessory	ADJ
eurjchem-1765	21	32	organs	organ	NOUN
eurjchem-1765	21	33	.	.	PUNCT
eurjchem-1765	22	1	they	they	PRON
eurjchem-1765	22	2	are	be	AUX
eurjchem-1765	22	3	also	also	ADV
eurjchem-1765	22	4	formed	form	VERB
eurjchem-1765	22	5	in	in	ADP
eurjchem-1765	22	6	the	the	DET
eurjchem-1765	22	7	placenta	placenta	NOUN
eurjchem-1765	22	8	in	in	ADP
eurjchem-1765	22	9	late	late	ADJ
eurjchem-1765	22	10	pregnancy	pregnancy	NOUN
eurjchem-1765	22	11	,	,	PUNCT
eurjchem-1765	22	12	which	which	PRON
eurjchem-1765	22	13	increases	increase	VERB
eurjchem-1765	22	14	the	the	DET
eurjchem-1765	22	15	spontaneous	spontaneous	ADJ
eurjchem-1765	22	16	activity	activity	NOUN
eurjchem-1765	22	17	of	of	ADP
eurjchem-1765	22	18	the	the	DET
eurjchem-1765	22	19	uterine	uterine	ADJ
eurjchem-1765	22	20	muscle	muscle	NOUN
eurjchem-1765	22	21	and	and	CCONJ
eurjchem-1765	22	22	its	its	PRON
eurjchem-1765	22	23	response	response	NOUN
eurjchem-1765	22	24	to	to	PART
eurjchem-1765	22	25	oxytocic	oxytocic	VERB
eurjchem-1765	22	26	drugs	drug	NOUN
eurjchem-1765	22	27	[	[	X
eurjchem-1765	22	28	5	5	NUM
eurjchem-1765	22	29	]	]	PUNCT
eurjchem-1765	22	30	.	.	PUNCT
eurjchem-1765	23	1	currently	currently	ADV
eurjchem-1765	23	2	,	,	PUNCT
eurjchem-1765	23	3	there	there	PRON
eurjchem-1765	23	4	is	be	VERB
eurjchem-1765	23	5	a	a	DET
eurjchem-1765	23	6	huge	huge	ADJ
eurjchem-1765	23	7	scientific	scientific	ADJ
eurjchem-1765	23	8	and	and	CCONJ
eurjchem-1765	23	9	commercial	commercial	ADJ
eurjchem-1765	23	10	interest	interest	NOUN
eurjchem-1765	23	11	in	in	ADP
eurjchem-1765	23	12	the	the	DET
eurjchem-1765	23	13	discovery	discovery	NOUN
eurjchem-1765	23	14	of	of	ADP
eurjchem-1765	23	15	potent	potent	ADJ
eurjchem-1765	23	16	,	,	PUNCT
eurjchem-1765	23	17	safe	safe	ADJ
eurjchem-1765	23	18	and	and	CCONJ
eurjchem-1765	23	19	selective	selective	ADJ
eurjchem-1765	23	20	anticancer	anticancer	NOUN
eurjchem-1765	23	21	medications	medication	NOUN
eurjchem-1765	23	22	.	.	PUNCT
eurjchem-1765	24	1	among	among	ADP
eurjchem-1765	24	2	the	the	DET
eurjchem-1765	24	3	currently	currently	ADV
eurjchem-1765	24	4	identified	identify	VERB
eurjchem-1765	24	5	antitumor	antitumor	PROPN
eurjchem-1765	24	6	agents	agent	NOUN
eurjchem-1765	24	7	,	,	PUNCT
eurjchem-1765	24	8	enone	enone	NOUN
eurjchem-1765	24	9	derivatives	derivative	NOUN
eurjchem-1765	24	10	represent	represent	VERB
eurjchem-1765	24	11	an	an	DET
eurjchem-1765	24	12	important	important	ADJ
eurjchem-1765	24	13	class	class	NOUN
eurjchem-1765	24	14	of	of	ADP
eurjchem-1765	24	15	molecules	molecule	NOUN
eurjchem-1765	24	16	that	that	PRON
eurjchem-1765	24	17	are	be	AUX
eurjchem-1765	24	18	abundant	abundant	ADJ
eurjchem-1765	24	19	in	in	ADP
eurjchem-1765	24	20	edible	edible	ADJ
eurjchem-1765	24	21	plants	plant	NOUN
eurjchem-1765	24	22	[	[	X
eurjchem-1765	24	23	6	6	NUM
eurjchem-1765	24	24	]	]	PUNCT
eurjchem-1765	24	25	.	.	PUNCT
eurjchem-1765	25	1	quantitative	quantitative	ADJ
eurjchem-1765	25	2	structure	structure	NOUN
eurjchem-1765	25	3	activity	activity	NOUN
eurjchem-1765	25	4	relationships	relationship	NOUN
eurjchem-1765	25	5	and	and	CCONJ
eurjchem-1765	25	6	quantitative	quantitative	ADJ
eurjchem-1765	25	7	structure	structure	NOUN
eurjchem-1765	25	8	property	property	NOUN
eurjchem-1765	25	9	relationship	relationship	NOUN
eurjchem-1765	25	10	(	(	PUNCT
eurjchem-1765	25	11	qspr	qspr	PROPN
eurjchem-1765	25	12	)	)	PUNCT
eurjchem-1765	25	13	make	make	VERB
eurjchem-1765	25	14	it	it	PRON
eurjchem-1765	25	15	possible	possible	ADJ
eurjchem-1765	25	16	to	to	PART
eurjchem-1765	25	17	predict	predict	VERB
eurjchem-1765	25	18	the	the	DET
eurjchem-1765	25	19	activities	activity	NOUN
eurjchem-1765	25	20	/	/	SYM
eurjchem-1765	25	21	properties	property	NOUN
eurjchem-1765	25	22	of	of	ADP
eurjchem-1765	25	23	a	a	DET
eurjchem-1765	25	24	given	give	VERB
eurjchem-1765	25	25	compound	compound	NOUN
eurjchem-1765	25	26	as	as	ADP
eurjchem-1765	25	27	a	a	DET
eurjchem-1765	25	28	function	function	NOUN
eurjchem-1765	25	29	of	of	ADP
eurjchem-1765	25	30	its	its	PRON
eurjchem-1765	25	31	molecular	molecular	ADJ
eurjchem-1765	25	32	substituent	substituent	NOUN
eurjchem-1765	25	33	.	.	PUNCT
eurjchem-1765	26	1	essentially	essentially	ADV
eurjchem-1765	26	2	,	,	PUNCT
eurjchem-1765	26	3	new	new	ADJ
eurjchem-1765	26	4	and	and	CCONJ
eurjchem-1765	26	5	untested	untested	ADJ
eurjchem-1765	26	6	compounds	compound	NOUN
eurjchem-1765	26	7	possessing	possess	VERB
eurjchem-1765	26	8	similar	similar	ADJ
eurjchem-1765	26	9	molecular	molecular	ADJ
eurjchem-1765	26	10	features	feature	NOUN
eurjchem-1765	26	11	are	be	AUX
eurjchem-1765	26	12	likewise	likewise	ADV
eurjchem-1765	26	13	assumed	assume	VERB
eurjchem-1765	26	14	to	to	PART
eurjchem-1765	26	15	also	also	ADV
eurjchem-1765	26	16	possess	possess	VERB
eurjchem-1765	26	17	similar	similar	ADJ
eurjchem-1765	26	18	activities/	activities/	NUM
eurjchem-1765	26	19	properties	property	NOUN
eurjchem-1765	26	20	.	.	PUNCT
eurjchem-1765	27	1	several	several	ADJ
eurjchem-1765	27	2	successful	successful	ADJ
eurjchem-1765	27	3	qsar	qsar	NOUN
eurjchem-1765	27	4	/	/	SYM
eurjchem-1765	27	5	qspr	qspr	NOUN
eurjchem-1765	27	6	models	model	NOUN
eurjchem-1765	27	7	have	have	AUX
eurjchem-1765	27	8	been	be	AUX
eurjchem-1765	27	9	published	publish	VERB
eurjchem-1765	27	10	over	over	ADP
eurjchem-1765	27	11	the	the	DET
eurjchem-1765	27	12	years	year	NOUN
eurjchem-1765	27	13	which	which	PRON
eurjchem-1765	27	14	encompass	encompass	VERB
eurjchem-1765	27	15	a	a	DET
eurjchem-1765	27	16	wide	wide	ADJ
eurjchem-1765	27	17	span	span	NOUN
eurjchem-1765	27	18	of	of	ADP
eurjchem-1765	27	19	biological	biological	ADJ
eurjchem-1765	27	20	and	and	CCONJ
eurjchem-1765	27	21	physicochemical	physicochemical	ADJ
eurjchem-1765	27	22	properties	property	NOUN
eurjchem-1765	27	23	[	[	X
eurjchem-1765	27	24	7	7	NUM
eurjchem-1765	27	25	]	]	PUNCT
eurjchem-1765	27	26	.	.	PUNCT
eurjchem-1765	28	1	this	this	DET
eurjchem-1765	28	2	method	method	NOUN
eurjchem-1765	28	3	included	include	VERB
eurjchem-1765	28	4	data	datum	NOUN
eurjchem-1765	28	5	collection	collection	NOUN
eurjchem-1765	28	6	,	,	PUNCT
eurjchem-1765	28	7	molecular	molecular	ADJ
eurjchem-1765	28	8	descriptor	descriptor	NOUN
eurjchem-1765	28	9	selection	selection	NOUN
eurjchem-1765	28	10	,	,	PUNCT
eurjchem-1765	28	11	correlation	correlation	NOUN
eurjchem-1765	28	12	model	model	NOUN
eurjchem-1765	28	13	development	development	NOUN
eurjchem-1765	28	14	,	,	PUNCT
eurjchem-1765	28	15	and	and	CCONJ
eurjchem-1765	28	16	finally	finally	ADV
eurjchem-1765	28	17	model	model	VERB
eurjchem-1765	28	18	evaluation	evaluation	NOUN
eurjchem-1765	28	19	.	.	PUNCT
eurjchem-1765	29	1	abstract	abstract	ADJ
eurjchem-1765	29	2	research	research	NOUN
eurjchem-1765	29	3	article	article	NOUN
eurjchem-1765	29	4	keywords	keyword	VERB
eurjchem-1765	29	5	european	european	PROPN
eurjchem-1765	29	6	journal	journal	PROPN
eurjchem-1765	29	7	of	of	ADP
eurjchem-1765	29	8	chemistry	chemistry	NOUN
eurjchem-1765	29	9	issn	issn	VERB
eurjchem-1765	29	10	2153	2153	NUM
eurjchem-1765	29	11	-	-	SYM
eurjchem-1765	29	12	2249	2249	NUM
eurjchem-1765	29	13	(	(	PUNCT
eurjchem-1765	29	14	print	print	NOUN
eurjchem-1765	29	15	)	)	PUNCT
eurjchem-1765	29	16	/	/	PUNCT
eurjchem-1765	29	17	issn	issn	PROPN
eurjchem-1765	29	18	2153	2153	NUM
eurjchem-1765	29	19	-	-	SYM
eurjchem-1765	29	20	2257	2257	NUM
eurjchem-1765	29	21	(	(	PUNCT
eurjchem-1765	29	22	online	online	ADJ
eurjchem-1765	29	23	)	)	PUNCT
eurjchem-1765	29	24	–	–	PUNCT
eurjchem-1765	30	1	copyright	copyright	NOUN
eurjchem-1765	30	2	©	©	PROPN
eurjchem-1765	30	3	2018	2018	NUM
eurjchem-1765	30	4	the	the	DET
eurjchem-1765	30	5	authors	author	NOUN
eurjchem-1765	30	6	–	–	PUNCT
eurjchem-1765	30	7	atlanta	atlanta	PROPN
eurjchem-1765	30	8	publishing	publishing	PROPN
eurjchem-1765	30	9	house	house	PROPN
eurjchem-1765	30	10	llc	llc	PROPN
eurjchem-1765	30	11	–	–	PUNCT
eurjchem-1765	30	12	printed	print	VERB
eurjchem-1765	30	13	in	in	ADP
eurjchem-1765	30	14	the	the	DET
eurjchem-1765	30	15	usa	usa	PROPN
eurjchem-1765	30	16	.	.	PUNCT
eurjchem-1765	31	1	this	this	DET
eurjchem-1765	31	2	work	work	NOUN
eurjchem-1765	31	3	is	be	AUX
eurjchem-1765	31	4	published	publish	VERB
eurjchem-1765	31	5	and	and	CCONJ
eurjchem-1765	31	6	licensed	license	VERB
eurjchem-1765	31	7	by	by	ADP
eurjchem-1765	31	8	atlanta	atlanta	PROPN
eurjchem-1765	31	9	publishing	publishing	PROPN
eurjchem-1765	31	10	house	house	PROPN
eurjchem-1765	31	11	llc	llc	PROPN
eurjchem-1765	31	12	–	–	PUNCT
eurjchem-1765	31	13	cc	cc	PROPN
eurjchem-1765	31	14	by	by	ADP
eurjchem-1765	31	15	nc	nc	PROPN
eurjchem-1765	31	16	–	–	PUNCT
eurjchem-1765	31	17	some	some	DET
eurjchem-1765	31	18	rights	right	NOUN
eurjchem-1765	31	19	reserved	reserve	VERB
eurjchem-1765	31	20	.	.	PUNCT
eurjchem-1765	32	1	http://dx.doi.org/10.5155/eurjchem.9.3.275-280.1765	http://dx.doi.org/10.5155/eurjchem.9.3.275-280.1765	PROPN
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eurjchem-1765	45	1	h	h	PROPN
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eurjchem-1765	45	3	h	h	PROPN
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eurjchem-1765	63	153	predictive	predictive	ADJ
eurjchem-1765	63	154	ability	ability	NOUN
eurjchem-1765	63	155	and	and	CCONJ
eurjchem-1765	63	156	simultaneously	simultaneously	ADV
eurjchem-1765	63	157	provide	provide	VERB
eurjchem-1765	63	158	deeper	deep	ADJ
eurjchem-1765	63	159	insight	insight	NOUN
eurjchem-1765	63	160	into	into	ADP
eurjchem-1765	63	161	mechanism	mechanism	NOUN
eurjchem-1765	63	162	of	of	ADP
eurjchem-1765	63	163	drug	drug	NOUN
eurjchem-1765	63	164	receptor	receptor	NOUN
eurjchem-1765	63	165	interactions	interaction	NOUN
eurjchem-1765	63	166	[	[	X
eurjchem-1765	63	167	8	8	NUM
eurjchem-1765	63	168	]	]	PUNCT
eurjchem-1765	63	169	.	.	PUNCT
eurjchem-1765	64	1	in	in	ADP
eurjchem-1765	64	2	the	the	DET
eurjchem-1765	64	3	present	present	ADJ
eurjchem-1765	64	4	work	work	NOUN
eurjchem-1765	64	5	,	,	PUNCT
eurjchem-1765	64	6	quantitative	quantitative	ADJ
eurjchem-1765	64	7	structure	structure	NOUN
eurjchem-1765	64	8	activity	activity	NOUN
eurjchem-1765	64	9	relationship	relationship	NOUN
eurjchem-1765	64	10	study	study	NOUN
eurjchem-1765	64	11	was	be	AUX
eurjchem-1765	64	12	performed	perform	VERB
eurjchem-1765	64	13	to	to	PART
eurjchem-1765	64	14	obtain	obtain	VERB
eurjchem-1765	64	15	a	a	DET
eurjchem-1765	64	16	qsar	qsar	NOUN
eurjchem-1765	64	17	model	model	NOUN
eurjchem-1765	64	18	,	,	PUNCT
eurjchem-1765	64	19	which	which	PRON
eurjchem-1765	64	20	was	be	AUX
eurjchem-1765	64	21	used	use	VERB
eurjchem-1765	64	22	to	to	PART
eurjchem-1765	64	23	predict	predict	VERB
eurjchem-1765	64	24	the	the	DET
eurjchem-1765	64	25	biological	biological	ADJ
eurjchem-1765	64	26	activity	activity	NOUN
eurjchem-1765	64	27	against	against	ADP
eurjchem-1765	64	28	human	human	ADJ
eurjchem-1765	64	29	breast	breast	NOUN
eurjchem-1765	64	30	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-1765	64	31	cell	cell	NOUN
eurjchem-1765	64	32	line	line	NOUN
eurjchem-1765	64	33	mcf-7	mcf-7	PUNCT
eurjchem-1765	64	34	of	of	ADP
eurjchem-1765	64	35	a	a	DET
eurjchem-1765	64	36	set	set	NOUN
eurjchem-1765	64	37	of	of	ADP
eurjchem-1765	64	38	designed	design	VERB
eurjchem-1765	64	39	α	α	PROPN
eurjchem-1765	64	40	,	,	PUNCT
eurjchem-1765	64	41	β	β	X
eurjchem-1765	64	42	unsaturated	unsaturated	ADJ
eurjchem-1765	64	43	carbonyl	carbonyl	NOUN
eurjchem-1765	64	44	compounds	compound	NOUN
eurjchem-1765	64	45	(	(	PUNCT
eurjchem-1765	64	46	a1	a1	NOUN
eurjchem-1765	64	47	-	-	PUNCT
eurjchem-1765	64	48	a16	a16	NOUN
eurjchem-1765	64	49	)	)	PUNCT
eurjchem-1765	64	50	.	.	PUNCT
eurjchem-1765	65	1	in	in	ADP
eurjchem-1765	65	2	addition	addition	NOUN
eurjchem-1765	65	3	,	,	PUNCT
eurjchem-1765	65	4	docking	dock	VERB
eurjchem-1765	65	5	studies	study	NOUN
eurjchem-1765	65	6	was	be	AUX
eurjchem-1765	65	7	carried	carry	VERB
eurjchem-1765	65	8	out	out	ADP
eurjchem-1765	65	9	to	to	PART
eurjchem-1765	65	10	understand	understand	VERB
eurjchem-1765	65	11	binding	bind	VERB
eurjchem-1765	65	12	interaction	interaction	NOUN
eurjchem-1765	65	13	between	between	ADP
eurjchem-1765	65	14	designed	design	VERB
eurjchem-1765	65	15	compounds	compound	NOUN
eurjchem-1765	65	16	(	(	PUNCT
eurjchem-1765	65	17	a1	a1	NOUN
eurjchem-1765	65	18	-	-	PUNCT
eurjchem-1765	65	19	a16	a16	NOUN
eurjchem-1765	65	20	)	)	PUNCT
eurjchem-1765	65	21	and	and	CCONJ
eurjchem-1765	65	22	selected	select	VERB
eurjchem-1765	65	23	protein	protein	NOUN
eurjchem-1765	65	24	3dkc	3dkc	NUM
eurjchem-1765	65	25	.	.	NOUN
eurjchem-1765	66	1	2	2	NUM
eurjchem-1765	66	2	.	.	X
eurjchem-1765	66	3	experimental	experimental	ADJ
eurjchem-1765	66	4	2.1	2.1	NUM
eurjchem-1765	66	5	.	.	PUNCT
eurjchem-1765	67	1	qsar	qsar	PROPN
eurjchem-1765	67	2	studies	study	NOUN
eurjchem-1765	67	3	a	a	DET
eurjchem-1765	67	4	total	total	NOUN
eurjchem-1765	67	5	of	of	ADP
eurjchem-1765	67	6	eighteen	eighteen	NUM
eurjchem-1765	67	7	α	α	NOUN
eurjchem-1765	67	8	,	,	PUNCT
eurjchem-1765	67	9	β	β	ADJ
eurjchem-1765	67	10	-	-	ADJ
eurjchem-1765	67	11	unsaturated	unsaturate	VERB
eurjchem-1765	67	12	carbonyl	carbonyl	NOUN
eurjchem-1765	67	13	compounds	compound	NOUN
eurjchem-1765	67	14	reported	report	VERB
eurjchem-1765	67	15	by	by	ADP
eurjchem-1765	67	16	syam	syam	NOUN
eurjchem-1765	68	1	[	[	X
eurjchem-1765	68	2	9	9	NUM
eurjchem-1765	68	3	]	]	PUNCT
eurjchem-1765	68	4	was	be	AUX
eurjchem-1765	68	5	used	use	VERB
eurjchem-1765	68	6	in	in	ADP
eurjchem-1765	68	7	qsar	qsar	NOUN
eurjchem-1765	68	8	study	study	NOUN
eurjchem-1765	68	9	.	.	PUNCT
eurjchem-1765	69	1	they	they	PRON
eurjchem-1765	69	2	synthesized	synthesize	VERB
eurjchem-1765	69	3	several	several	ADJ
eurjchem-1765	69	4	α	α	NOUN
eurjchem-1765	69	5	,	,	PUNCT
eurjchem-1765	69	6	β	β	ADJ
eurjchem-1765	69	7	-	-	ADJ
eurjchem-1765	69	8	unsaturated	unsaturate	VERB
eurjchem-1765	69	9	compounds	compound	NOUN
eurjchem-1765	69	10	and	and	CCONJ
eurjchem-1765	69	11	reported	report	VERB
eurjchem-1765	69	12	their	their	PRON
eurjchem-1765	69	13	in	in	X
eurjchem-1765	69	14	vitro	vitro	X
eurjchem-1765	69	15	cytotoxicity	cytotoxicity	NOUN
eurjchem-1765	69	16	against	against	ADP
eurjchem-1765	69	17	various	various	ADJ
eurjchem-1765	69	18	human	human	ADJ
eurjchem-1765	69	19	cell	cell	NOUN
eurjchem-1765	69	20	lines	line	NOUN
eurjchem-1765	69	21	,	,	PUNCT
eurjchem-1765	69	22	including	include	VERB
eurjchem-1765	69	23	human	human	ADJ
eurjchem-1765	69	24	breast	breast	NOUN
eurjchem-1765	69	25	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-1765	69	26	cell	cell	NOUN
eurjchem-1765	69	27	line	line	NOUN
eurjchem-1765	69	28	mcf-7	mcf-7	PROPN
eurjchem-1765	69	29	.	.	NOUN
eurjchem-1765	69	30	chembiodraw	chembiodraw	ADJ
eurjchem-1765	69	31	ultra	ultra	ADJ
eurjchem-1765	69	32	v14.0.0117	v14.0.0117	NOUN
eurjchem-1765	69	33	software	software	NOUN
eurjchem-1765	69	34	(	(	PUNCT
eurjchem-1765	69	35	copyright	copyright	NOUN
eurjchem-1765	69	36	19982014	19982014	NUM
eurjchem-1765	69	37	cambridgesoft	cambridgesoft	PROPN
eurjchem-1765	69	38	corporation	corporation	NOUN
eurjchem-1765	69	39	,	,	PUNCT
eurjchem-1765	69	40	a	a	DET
eurjchem-1765	69	41	subsidiary	subsidiary	NOUN
eurjchem-1765	69	42	of	of	ADP
eurjchem-1765	69	43	perkin	perkin	PROPN
eurjchem-1765	69	44	elmer	elmer	PROPN
eurjchem-1765	69	45	,	,	PUNCT
eurjchem-1765	69	46	inc	inc	PROPN
eurjchem-1765	69	47	.	.	PROPN
eurjchem-1765	69	48	)	)	PUNCT
eurjchem-1765	69	49	was	be	AUX
eurjchem-1765	69	50	used	use	VERB
eurjchem-1765	69	51	for	for	ADP
eurjchem-1765	69	52	drawing	draw	VERB
eurjchem-1765	69	53	series	series	NOUN
eurjchem-1765	69	54	of	of	ADP
eurjchem-1765	69	55	the	the	DET
eurjchem-1765	69	56	studied	study	VERB
eurjchem-1765	69	57	compounds	compound	NOUN
eurjchem-1765	69	58	.	.	PUNCT
eurjchem-1765	70	1	the	the	DET
eurjchem-1765	70	2	experimental	experimental	ADJ
eurjchem-1765	70	3	ic50	ic50	PROPN
eurjchem-1765	70	4	,	,	PUNCT
eurjchem-1765	70	5	concentration	concentration	NOUN
eurjchem-1765	70	6	of	of	ADP
eurjchem-1765	70	7	the	the	DET
eurjchem-1765	70	8	compounds	compound	NOUN
eurjchem-1765	70	9	(	(	PUNCT
eurjchem-1765	70	10	ic50	ic50	PROPN
eurjchem-1765	70	11	in	in	ADP
eurjchem-1765	70	12	microgram	microgram	NOUN
eurjchem-1765	70	13	per	per	ADP
eurjchem-1765	70	14	milliliter	milliliter	NOUN
eurjchem-1765	70	15	)	)	PUNCT
eurjchem-1765	70	16	exhibiting	exhibit	VERB
eurjchem-1765	70	17	50	50	NUM
eurjchem-1765	70	18	%	%	NOUN
eurjchem-1765	70	19	inhibition	inhibition	NOUN
eurjchem-1765	70	20	of	of	ADP
eurjchem-1765	70	21	cell	cell	NOUN
eurjchem-1765	70	22	growth	growth	NOUN
eurjchem-1765	70	23	for	for	ADP
eurjchem-1765	70	24	human	human	ADJ
eurjchem-1765	70	25	breast	breast	NOUN
eurjchem-1765	70	26	cancer	cancer	NOUN
eurjchem-1765	70	27	(	(	PUNCT
eurjchem-1765	70	28	mcf-7	mcf-7	NOUN
eurjchem-1765	70	29	)	)	PUNCT
eurjchem-1765	70	30	was	be	AUX
eurjchem-1765	70	31	converted	convert	VERB
eurjchem-1765	70	32	to	to	ADP
eurjchem-1765	70	33	negative	negative	ADJ
eurjchem-1765	70	34	logarithmic	logarithmic	ADJ
eurjchem-1765	70	35	concentration	concentration	NOUN
eurjchem-1765	70	36	in	in	ADP
eurjchem-1765	70	37	moles	mole	NOUN
eurjchem-1765	70	38	(	(	PUNCT
eurjchem-1765	70	39	pc	pc	NOUN
eurjchem-1765	70	40	)	)	PUNCT
eurjchem-1765	70	41	,	,	PUNCT
eurjchem-1765	70	42	values	value	NOUN
eurjchem-1765	70	43	along	along	ADP
eurjchem-1765	70	44	with	with	ADP
eurjchem-1765	70	45	the	the	DET
eurjchem-1765	70	46	α	α	NOUN
eurjchem-1765	70	47	,	,	PUNCT
eurjchem-1765	70	48	β	β	ADJ
eurjchem-1765	70	49	-	-	ADJ
eurjchem-1765	70	50	unsaturated	unsaturate	VERB
eurjchem-1765	70	51	carbonyl	carbonyl	NOUN
eurjchem-1765	70	52	structures	structure	NOUN
eurjchem-1765	70	53	can	can	AUX
eurjchem-1765	70	54	be	be	AUX
eurjchem-1765	70	55	found	find	VERB
eurjchem-1765	70	56	on	on	ADP
eurjchem-1765	70	57	table	table	NOUN
eurjchem-1765	70	58	1	1	NUM
eurjchem-1765	70	59	.	.	PUNCT
eurjchem-1765	71	1	the	the	DET
eurjchem-1765	71	2	qsar	qsar	PROPN
eurjchem-1765	71	3	study	study	NOUN
eurjchem-1765	71	4	was	be	AUX
eurjchem-1765	71	5	performed	perform	VERB
eurjchem-1765	71	6	using	use	VERB
eurjchem-1765	71	7	molecular	molecular	ADJ
eurjchem-1765	71	8	modeling	modeling	NOUN
eurjchem-1765	71	9	studies	study	NOUN
eurjchem-1765	71	10	of	of	ADP
eurjchem-1765	71	11	compounds	compound	NOUN
eurjchem-1765	71	12	with	with	ADP
eurjchem-1765	71	13	molecular	molecular	ADJ
eurjchem-1765	71	14	operating	operating	NOUN
eurjchem-1765	71	15	environment	environment	NOUN
eurjchem-1765	71	16	software	software	NOUN
eurjchem-1765	71	17	package	package	NOUN
eurjchem-1765	71	18	(	(	PUNCT
eurjchem-1765	71	19	moe	moe	NOUN
eurjchem-1765	71	20	,	,	PUNCT
eurjchem-1765	71	21	v2010.10	v2010.10	PROPN
eurjchem-1765	71	22	;	;	PUNCT
eurjchem-1765	71	23	chemical	chemical	PROPN
eurjchem-1765	71	24	computing	computing	PROPN
eurjchem-1765	71	25	group	group	PROPN
eurjchem-1765	71	26	inc	inc	PROPN
eurjchem-1765	71	27	.	.	PROPN
eurjchem-1765	71	28	)	)	PUNCT
eurjchem-1765	71	29	.	.	PUNCT
eurjchem-1765	72	1	a	a	DET
eurjchem-1765	72	2	set	set	NOUN
eurjchem-1765	72	3	of	of	ADP
eurjchem-1765	72	4	15	15	NUM
eurjchem-1765	72	5	compounds	compound	NOUN
eurjchem-1765	72	6	was	be	AUX
eurjchem-1765	72	7	used	use	VERB
eurjchem-1765	72	8	as	as	ADP
eurjchem-1765	72	9	a	a	DET
eurjchem-1765	72	10	training	training	NOUN
eurjchem-1765	72	11	set	set	NOUN
eurjchem-1765	72	12	for	for	ADP
eurjchem-1765	72	13	the	the	DET
eurjchem-1765	72	14	present	present	ADJ
eurjchem-1765	72	15	qsar	qsar	NOUN
eurjchem-1765	72	16	modeling	modeling	NOUN
eurjchem-1765	72	17	,	,	PUNCT
eurjchem-1765	72	18	the	the	DET
eurjchem-1765	72	19	three	three	NUM
eurjchem-1765	72	20	remaining	remain	VERB
eurjchem-1765	72	21	α	α	NOUN
eurjchem-1765	72	22	,	,	PUNCT
eurjchem-1765	72	23	β	β	ADJ
eurjchem-1765	72	24	-	-	ADJ
eurjchem-1765	72	25	unsaturated	unsaturate	VERB
eurjchem-1765	72	26	carbonyl	carbonyl	NOUN
eurjchem-1765	72	27	compounds	compound	NOUN
eurjchem-1765	72	28	chosen	choose	VERB
eurjchem-1765	72	29	randomly	randomly	ADV
eurjchem-1765	72	30	were	be	AUX
eurjchem-1765	72	31	used	use	VERB
eurjchem-1765	72	32	as	as	ADP
eurjchem-1765	72	33	an	an	DET
eurjchem-1765	72	34	external	external	ADJ
eurjchem-1765	72	35	test	test	NOUN
eurjchem-1765	72	36	set	set	VERB
eurjchem-1765	72	37	to	to	PART
eurjchem-1765	72	38	assess	assess	VERB
eurjchem-1765	72	39	the	the	DET
eurjchem-1765	72	40	predictive	predictive	ADJ
eurjchem-1765	72	41	power	power	NOUN
eurjchem-1765	72	42	of	of	ADP
eurjchem-1765	72	43	the	the	DET
eurjchem-1765	72	44	resulting	result	VERB
eurjchem-1765	72	45	qsar	qsar	NOUN
eurjchem-1765	72	46	model	model	NOUN
eurjchem-1765	72	47	.	.	PUNCT
eurjchem-1765	73	1	2.1.1	2.1.1	X
eurjchem-1765	73	2	.	.	PUNCT
eurjchem-1765	73	3	molecular	molecular	ADJ
eurjchem-1765	73	4	descriptors	descriptor	NOUN
eurjchem-1765	73	5	molecular	molecular	ADJ
eurjchem-1765	73	6	descriptors	descriptor	NOUN
eurjchem-1765	73	7	(	(	PUNCT
eurjchem-1765	73	8	physicochemical	physicochemical	ADJ
eurjchem-1765	73	9	properties	property	NOUN
eurjchem-1765	73	10	)	)	PUNCT
eurjchem-1765	73	11	are	be	AUX
eurjchem-1765	73	12	chemical	chemical	ADJ
eurjchem-1765	73	13	information	information	NOUN
eurjchem-1765	73	14	that	that	PRON
eurjchem-1765	73	15	is	be	AUX
eurjchem-1765	73	16	encoded	encode	VERB
eurjchem-1765	73	17	within	within	ADP
eurjchem-1765	73	18	the	the	DET
eurjchem-1765	73	19	molecular	molecular	ADJ
eurjchem-1765	73	20	structures	structure	NOUN
eurjchem-1765	73	21	for	for	ADP
eurjchem-1765	73	22	which	which	PRON
eurjchem-1765	73	23	numerous	numerous	ADJ
eurjchem-1765	73	24	sets	set	NOUN
eurjchem-1765	73	25	of	of	ADP
eurjchem-1765	73	26	algorithms	algorithm	NOUN
eurjchem-1765	73	27	are	be	AUX
eurjchem-1765	73	28	available	available	ADJ
eurjchem-1765	73	29	for	for	ADP
eurjchem-1765	73	30	such	such	ADJ
eurjchem-1765	73	31	transformation	transformation	NOUN
eurjchem-1765	74	1	[	[	X
eurjchem-1765	74	2	7	7	NUM
eurjchem-1765	74	3	]	]	PUNCT
eurjchem-1765	74	4	.	.	PUNCT
eurjchem-1765	75	1	total	total	NOUN
eurjchem-1765	75	2	of	of	ADP
eurjchem-1765	75	3	eight	eight	NUM
eurjchem-1765	75	4	molecular	molecular	ADJ
eurjchem-1765	75	5	descripttors	descripttor	NOUN
eurjchem-1765	75	6	namely	namely	ADV
eurjchem-1765	75	7	,	,	PUNCT
eurjchem-1765	75	8	formula	formula	NOUN
eurjchem-1765	75	9	weight	weight	NOUN
eurjchem-1765	75	10	(	(	PUNCT
eurjchem-1765	75	11	fw	fw	ADJ
eurjchem-1765	75	12	)	)	PUNCT
eurjchem-1765	75	13	,	,	PUNCT
eurjchem-1765	75	14	molar	molar	ADJ
eurjchem-1765	75	15	volume	volume	NOUN
eurjchem-1765	75	16	(	(	PUNCT
eurjchem-1765	75	17	mv	mv	PROPN
eurjchem-1765	75	18	)	)	PUNCT
eurjchem-1765	75	19	,	,	PUNCT
eurjchem-1765	75	20	surface	surface	NOUN
eurjchem-1765	75	21	tension	tension	NOUN
eurjchem-1765	75	22	(	(	PUNCT
eurjchem-1765	75	23	st	st	NOUN
eurjchem-1765	75	24	)	)	PUNCT
eurjchem-1765	75	25	,	,	PUNCT
eurjchem-1765	75	26	molar	molar	ADJ
eurjchem-1765	75	27	reactivity	reactivity	NOUN
eurjchem-1765	75	28	(	(	PUNCT
eurjchem-1765	75	29	mr	mr	PROPN
eurjchem-1765	75	30	)	)	PUNCT
eurjchem-1765	75	31	,	,	PUNCT
eurjchem-1765	75	32	potential	potential	ADJ
eurjchem-1765	75	33	energy	energy	NOUN
eurjchem-1765	75	34	(	(	PUNCT
eurjchem-1765	75	35	e	e	NOUN
eurjchem-1765	75	36	)	)	PUNCT
eurjchem-1765	75	37	,	,	PUNCT
eurjchem-1765	75	38	refractive	refractive	ADJ
eurjchem-1765	75	39	index	index	NOUN
eurjchem-1765	75	40	(	(	PUNCT
eurjchem-1765	75	41	ri	ri	NOUN
eurjchem-1765	75	42	)	)	PUNCT
eurjchem-1765	75	43	,	,	PUNCT
eurjchem-1765	75	44	density	density	NOUN
eurjchem-1765	75	45	(	(	PUNCT
eurjchem-1765	75	46	d	d	NOUN
eurjchem-1765	75	47	)	)	PUNCT
eurjchem-1765	75	48	and	and	CCONJ
eurjchem-1765	75	49	log	log	VERB
eurjchem-1765	75	50	p	p	PROPN
eurjchem-1765	75	51	(	(	PUNCT
eurjchem-1765	75	52	octanol	octanol	NOUN
eurjchem-1765	75	53	/	/	SYM
eurjchem-1765	75	54	water	water	NOUN
eurjchem-1765	75	55	)	)	PUNCT
eurjchem-1765	75	56	(	(	PUNCT
eurjchem-1765	75	57	log	log	VERB
eurjchem-1765	75	58	p(o	p(o	NOUN
eurjchem-1765	75	59	/	/	SYM
eurjchem-1765	75	60	w	w	NOUN
eurjchem-1765	75	61	)	)	PUNCT
eurjchem-1765	75	62	)	)	PUNCT
eurjchem-1765	75	63	were	be	AUX
eurjchem-1765	75	64	calculated	calculate	VERB
eurjchem-1765	75	65	for	for	ADP
eurjchem-1765	75	66	each	each	DET
eurjchem-1765	75	67	compound	compound	NOUN
eurjchem-1765	75	68	in	in	ADP
eurjchem-1765	75	69	training	training	NOUN
eurjchem-1765	75	70	set	set	NOUN
eurjchem-1765	75	71	using	use	VERB
eurjchem-1765	75	72	moe	moe	NOUN
eurjchem-1765	75	73	and	and	CCONJ
eurjchem-1765	75	74	acd	acd	NOUN
eurjchem-1765	75	75	/	/	SYM
eurjchem-1765	75	76	lab	lab	NOUN
eurjchem-1765	75	77	(	(	PUNCT
eurjchem-1765	75	78	copyright	copyright	NOUN
eurjchem-1765	75	79	1994	1994	NUM
eurjchem-1765	75	80	-	-	SYM
eurjchem-1765	75	81	2016	2016	NUM
eurjchem-1765	75	82	,	,	PUNCT
eurjchem-1765	75	83	acd	acd	PROPN
eurjchem-1765	75	84	/	/	SYM
eurjchem-1765	75	85	labs	lab	NOUN
eurjchem-1765	75	86	2016.2	2016.2	NUM
eurjchem-1765	75	87	,	,	PUNCT
eurjchem-1765	75	88	file	file	VERB
eurjchem-1765	75	89	version	version	NOUN
eurjchem-1765	75	90	c30e41	c30e41	NOUN
eurjchem-1765	75	91	,	,	PUNCT
eurjchem-1765	75	92	build	build	VERB
eurjchem-1765	75	93	90752	90752	NUM
eurjchem-1765	75	94	,	,	PUNCT
eurjchem-1765	75	95	20	20	NUM
eurjchem-1765	75	96	dec	dec	PROPN
eurjchem-1765	75	97	2016	2016	NUM
eurjchem-1765	75	98	)	)	PUNCT
eurjchem-1765	75	99	programmes	programme	NOUN
eurjchem-1765	75	100	and	and	CCONJ
eurjchem-1765	75	101	listed	list	VERB
eurjchem-1765	75	102	in	in	ADP
eurjchem-1765	75	103	table	table	NOUN
eurjchem-1765	75	104	2	2	NUM
eurjchem-1765	75	105	.	.	PUNCT
eurjchem-1765	75	106	to	to	PART
eurjchem-1765	75	107	select	select	VERB
eurjchem-1765	75	108	the	the	DET
eurjchem-1765	75	109	optimal	optimal	ADJ
eurjchem-1765	75	110	subset	subset	NOUN
eurjchem-1765	75	111	of	of	ADP
eurjchem-1765	75	112	physicochemical	physicochemical	ADJ
eurjchem-1765	75	113	properties	property	NOUN
eurjchem-1765	75	114	,	,	PUNCT
eurjchem-1765	75	115	highly	highly	ADV
eurjchem-1765	75	116	correlated	correlate	VERB
eurjchem-1765	75	117	chemical	chemical	NOUN
eurjchem-1765	75	118	descriptors	descriptor	NOUN
eurjchem-1765	75	119	were	be	AUX
eurjchem-1765	75	120	excluded	exclude	VERB
eurjchem-1765	75	121	through	through	ADP
eurjchem-1765	75	122	covariance	covariance	NOUN
eurjchem-1765	75	123	analysis	analysis	NOUN
eurjchem-1765	75	124	using	use	VERB
eurjchem-1765	75	125	a	a	DET
eurjchem-1765	75	126	correlation	correlation	NOUN
eurjchem-1765	75	127	matrix	matrix	NOUN
eurjchem-1765	75	128	.	.	PUNCT
eurjchem-1765	76	1	the	the	DET
eurjchem-1765	76	2	ratio	ratio	NOUN
eurjchem-1765	76	3	of	of	ADP
eurjchem-1765	76	4	the	the	DET
eurjchem-1765	76	5	number	number	NOUN
eurjchem-1765	76	6	of	of	ADP
eurjchem-1765	76	7	compounds	compound	NOUN
eurjchem-1765	76	8	to	to	ADP
eurjchem-1765	76	9	the	the	DET
eurjchem-1765	76	10	physicochemical	physicochemical	ADJ
eurjchem-1765	76	11	descriptors	descriptor	NOUN
eurjchem-1765	76	12	used	use	VERB
eurjchem-1765	76	13	for	for	ADP
eurjchem-1765	76	14	the	the	DET
eurjchem-1765	76	15	correlation	correlation	NOUN
eurjchem-1765	76	16	is	be	AUX
eurjchem-1765	76	17	usually	usually	ADV
eurjchem-1765	76	18	5:1	5:1	NUM
eurjchem-1765	76	19	[	[	X
eurjchem-1765	76	20	10	10	NUM
eurjchem-1765	76	21	]	]	PUNCT
eurjchem-1765	76	22	.	.	PUNCT
eurjchem-1765	77	1	2018	2018	NUM
eurjchem-1765	77	2	–	–	PUNCT
eurjchem-1765	77	3	european	european	ADJ
eurjchem-1765	77	4	journal	journal	NOUN
eurjchem-1765	77	5	of	of	ADP
eurjchem-1765	77	6	chemistry	chemistry	NOUN
eurjchem-1765	77	7	–	–	PUNCT
eurjchem-1765	77	8	cc	cc	NOUN
eurjchem-1765	77	9	by	by	ADP
eurjchem-1765	77	10	nc	nc	PROPN
eurjchem-1765	77	11	–	–	PUNCT
eurjchem-1765	77	12	doi	doi	PROPN
eurjchem-1765	77	13	:	:	PUNCT
eurjchem-1765	77	14	10.5155	10.5155	NUM
eurjchem-1765	77	15	/	/	SYM
eurjchem-1765	77	16	eurjchem.9.3.275	eurjchem.9.3.275	PROPN
eurjchem-1765	77	17	-	-	PUNCT
eurjchem-1765	77	18	280.1765	280.1765	PROPN
eurjchem-1765	77	19	almahdi	almahdi	NOUN
eurjchem-1765	77	20	et	et	PROPN
eurjchem-1765	77	21	al	al	PROPN
eurjchem-1765	77	22	.	.	PUNCT
eurjchem-1765	77	23	/	/	SYM
eurjchem-1765	77	24	european	european	PROPN
eurjchem-1765	77	25	journal	journal	PROPN
eurjchem-1765	77	26	of	of	ADP
eurjchem-1765	77	27	chemistry	chemistry	NOUN
eurjchem-1765	77	28	9	9	NUM
eurjchem-1765	77	29	(	(	PUNCT
eurjchem-1765	77	30	3	3	NUM
eurjchem-1765	77	31	)	)	PUNCT
eurjchem-1765	77	32	(	(	PUNCT
eurjchem-1765	77	33	2018	2018	NUM
eurjchem-1765	77	34	)	)	PUNCT
eurjchem-1765	77	35	275	275	NUM
eurjchem-1765	77	36	-	-	SYM
eurjchem-1765	77	37	280	280	NUM
eurjchem-1765	77	38	277	277	NUM
eurjchem-1765	77	39	table	table	NOUN
eurjchem-1765	77	40	3	3	NUM
eurjchem-1765	77	41	.	.	PUNCT
eurjchem-1765	77	42	statistical	statistical	ADJ
eurjchem-1765	77	43	parameters	parameter	NOUN
eurjchem-1765	77	44	used	use	VERB
eurjchem-1765	77	45	for	for	ADP
eurjchem-1765	77	46	statistical	statistical	ADJ
eurjchem-1765	77	47	quality	quality	NOUN
eurjchem-1765	77	48	of	of	ADP
eurjchem-1765	77	49	model	model	NOUN
eurjchem-1765	77	50	.	.	PUNCT
eurjchem-1765	78	1	r	r	NOUN
eurjchem-1765	78	2	r2	r2	PROPN
eurjchem-1765	78	3	rmse	rmse	PROPN
eurjchem-1765	78	4	q2	q2	PROPN
eurjchem-1765	78	5	s	s	PART
eurjchem-1765	78	6	f	f	PROPN
eurjchem-1765	78	7	p	p	NOUN
eurjchem-1765	78	8	value	value	NOUN
eurjchem-1765	78	9	0.9202	0.9202	NUM
eurjchem-1765	78	10	0.84684	0.84684	NUM
eurjchem-1765	78	11	0.14550	0.14550	NUM
eurjchem-1765	78	12	0.7621	0.7621	NUM
eurjchem-1765	78	13	0.38484	0.38484	NUM
eurjchem-1765	78	14	101.434	101.434	NUM
eurjchem-1765	78	15	0.010	0.010	NUM
eurjchem-1765	78	16	table	table	NOUN
eurjchem-1765	78	17	4	4	NUM
eurjchem-1765	78	18	.	.	PUNCT
eurjchem-1765	78	19	observed	observe	VERB
eurjchem-1765	78	20	and	and	CCONJ
eurjchem-1765	78	21	predicted	predict	VERB
eurjchem-1765	78	22	pc	pc	NOUN
eurjchem-1765	78	23	for	for	ADP
eurjchem-1765	78	24	training	training	NOUN
eurjchem-1765	78	25	set	set	VERB
eurjchem-1765	78	26	and	and	CCONJ
eurjchem-1765	78	27	cross	cross	VERB
eurjchem-1765	78	28	validation	validation	NOUN
eurjchem-1765	78	29	against	against	ADP
eurjchem-1765	78	30	human	human	ADJ
eurjchem-1765	78	31	breast	breast	NOUN
eurjchem-1765	78	32	cancer	cancer	NOUN
eurjchem-1765	78	33	(	(	PUNCT
eurjchem-1765	78	34	mcf-7	mcf-7	NOUN
eurjchem-1765	78	35	)	)	PUNCT
eurjchem-1765	78	36	.	.	PUNCT
eurjchem-1765	79	1	i	i	PRON
eurjchem-1765	79	2	d	d	PROPN
eurjchem-1765	79	3	pcobs	pcobs	PROPN
eurjchem-1765	79	4	.	.	PUNCT
eurjchem-1765	80	1	pcpred	pcpre	VERB
eurjchem-1765	80	2	.	.	PUNCT
eurjchem-1765	81	1	residuals	residual	NOUN
eurjchem-1765	81	2	cvpred	cvpre	VERB
eurjchem-1765	81	3	.	.	PUNCT
eurjchem-1765	82	1	residuals	residual	NOUN
eurjchem-1765	82	2	1	1	NUM
eurjchem-1765	82	3	5.16	5.16	NUM
eurjchem-1765	82	4	5.051935	5.051935	NUM
eurjchem-1765	82	5	0.108065	0.108065	NUM
eurjchem-1765	82	6	5.011246	5.011246	NUM
eurjchem-1765	82	7	0.148754	0.148754	NUM
eurjchem-1765	82	8	2	2	NUM
eurjchem-1765	82	9	4.87	4.87	NUM
eurjchem-1765	82	10	5.019001	5.019001	NUM
eurjchem-1765	82	11	-0.149000	-0.149000	PUNCT
eurjchem-1765	82	12	5.060885	5.060885	NUM
eurjchem-1765	82	13	-0.190880	-0.190880	NOUN
eurjchem-1765	82	14	4	4	NUM
eurjchem-1765	82	15	5.10	5.10	NUM
eurjchem-1765	82	16	5.087039	5.087039	NUM
eurjchem-1765	82	17	0.012961	0.012961	NUM
eurjchem-1765	82	18	5.075714	5.075714	NUM
eurjchem-1765	82	19	0.024286	0.024286	NUM
eurjchem-1765	82	20	5	5	NUM
eurjchem-1765	82	21	5.00	5.00	NUM
eurjchem-1765	82	22	5.087764	5.087764	NUM
eurjchem-1765	82	23	-0.087760	-0.087760	NOUN
eurjchem-1765	83	1	5.105386	5.105386	NUM
eurjchem-1765	83	2	-0.105390	-0.105390	NOUN
eurjchem-1765	83	3	6	6	NUM
eurjchem-1765	83	4	5.03	5.03	NUM
eurjchem-1765	83	5	5.029799	5.029799	NUM
eurjchem-1765	83	6	0.000202	0.000202	NUM
eurjchem-1765	83	7	5.029741	5.029741	NUM
eurjchem-1765	83	8	0.000259	0.000259	NUM
eurjchem-1765	83	9	7	7	NUM
eurjchem-1765	83	10	5.08	5.08	NUM
eurjchem-1765	83	11	5.190366	5.190366	NUM
eurjchem-1765	83	12	-0.110370	-0.110370	NOUN
eurjchem-1765	83	13	5.216456	5.216456	NUM
eurjchem-1765	83	14	-0.136460	-0.136460	NOUN
eurjchem-1765	83	15	8	8	NUM
eurjchem-1765	83	16	4.99	4.99	NUM
eurjchem-1765	83	17	5.002559	5.002559	NUM
eurjchem-1765	83	18	-0.012560	-0.012560	ADV
eurjchem-1765	83	19	5.009727	5.009727	NUM
eurjchem-1765	83	20	-0.019730	-0.019730	NOUN
eurjchem-1765	83	21	9	9	NUM
eurjchem-1765	83	22	5.02	5.02	NUM
eurjchem-1765	83	23	4.642254	4.642254	NUM
eurjchem-1765	83	24	0.377746	0.377746	NUM
eurjchem-1765	83	25	4.589873	4.589873	NUM
eurjchem-1765	83	26	0.430127	0.430127	NUM
eurjchem-1765	83	27	11	11	NUM
eurjchem-1765	83	28	4.49	4.49	NUM
eurjchem-1765	83	29	4.513175	4.513175	NUM
eurjchem-1765	83	30	-0.023180	-0.023180	NOUN
eurjchem-1765	83	31	4.517511	4.517511	NUM
eurjchem-1765	83	32	-0.027510	-0.027510	ADJ
eurjchem-1765	83	33	12	12	NUM
eurjchem-1765	83	34	4.38	4.38	NUM
eurjchem-1765	83	35	4.279251	4.279251	NUM
eurjchem-1765	83	36	0.100750	0.100750	NUM
eurjchem-1765	83	37	4.234203	4.234203	NUM
eurjchem-1765	83	38	0.145797	0.145797	NUM
eurjchem-1765	83	39	13	13	NUM
eurjchem-1765	83	40	4.00	4.00	NUM
eurjchem-1765	83	41	4.249300	4.249300	NUM
eurjchem-1765	83	42	-0.249300	-0.249300	NOUN
eurjchem-1765	83	43	4.351688	4.351688	NUM
eurjchem-1765	83	44	-0.351690	-0.351690	NOUN
eurjchem-1765	83	45	14	14	NUM
eurjchem-1765	83	46	4.24	4.24	NUM
eurjchem-1765	83	47	4.336486	4.336486	NUM
eurjchem-1765	83	48	-0.096490	-0.096490	NOUN
eurjchem-1765	83	49	4.367906	4.367906	NUM
eurjchem-1765	83	50	-0.127910	-0.127910	NOUN
eurjchem-1765	83	51	15	15	NUM
eurjchem-1765	83	52	5.03	5.03	NUM
eurjchem-1765	83	53	5.007334	5.007334	NUM
eurjchem-1765	83	54	0.022666	0.022666	NUM
eurjchem-1765	83	55	4.992760	4.992760	NUM
eurjchem-1765	83	56	0.037240	0.037240	NUM
eurjchem-1765	83	57	16	16	NUM
eurjchem-1765	83	58	5.16	5.16	NUM
eurjchem-1765	83	59	4.979438	4.979438	NUM
eurjchem-1765	83	60	0.180562	0.180562	NUM
eurjchem-1765	83	61	4.952883	4.952883	NUM
eurjchem-1765	83	62	0.207117	0.207117	NUM
eurjchem-1765	83	63	18	18	NUM
eurjchem-1765	83	64	5.28	5.28	NUM
eurjchem-1765	83	65	5.354298	5.354298	NUM
eurjchem-1765	83	66	-0.074300	-0.074300	NOUN
eurjchem-1765	83	67	5.415618	5.415618	NUM
eurjchem-1765	83	68	-0.135620	-0.135620	NOUN
eurjchem-1765	83	69	table	table	NOUN
eurjchem-1765	83	70	5	5	NUM
eurjchem-1765	83	71	.	.	PUNCT
eurjchem-1765	83	72	predicted	predict	VERB
eurjchem-1765	83	73	pc	pc	NOUN
eurjchem-1765	83	74	values	value	NOUN
eurjchem-1765	83	75	of	of	ADP
eurjchem-1765	83	76	test	test	NOUN
eurjchem-1765	83	77	set	set	VERB
eurjchem-1765	83	78	.	.	PUNCT
eurjchem-1765	84	1	i	i	PRON
eurjchem-1765	84	2	d	d	PROPN
eurjchem-1765	84	3	pcobs	pcobs	PROPN
eurjchem-1765	84	4	.	.	PUNCT
eurjchem-1765	85	1	pcpred	pcpre	VERB
eurjchem-1765	85	2	.	.	PUNCT
eurjchem-1765	86	1	residuals	residual	NOUN
eurjchem-1765	86	2	3	3	NUM
eurjchem-1765	86	3	4.72	4.72	NUM
eurjchem-1765	86	4	4.66	4.66	NUM
eurjchem-1765	86	5	0.06	0.06	NUM
eurjchem-1765	86	6	10	10	NUM
eurjchem-1765	86	7	4.93	4.93	NUM
eurjchem-1765	86	8	4.67	4.67	NUM
eurjchem-1765	86	9	0.26	0.26	NUM
eurjchem-1765	86	10	17	17	NUM
eurjchem-1765	86	11	5.15	5.15	NUM
eurjchem-1765	86	12	4.69	4.69	NUM
eurjchem-1765	86	13	0.46	0.46	NUM
eurjchem-1765	86	14	thus	thus	ADV
eurjchem-1765	86	15	,	,	PUNCT
eurjchem-1765	86	16	for	for	ADP
eurjchem-1765	86	17	the	the	DET
eurjchem-1765	86	18	15	15	NUM
eurjchem-1765	86	19	compounds	compound	NOUN
eurjchem-1765	86	20	in	in	ADP
eurjchem-1765	86	21	the	the	DET
eurjchem-1765	86	22	training	training	NOUN
eurjchem-1765	86	23	set	set	NOUN
eurjchem-1765	86	24	,	,	PUNCT
eurjchem-1765	86	25	only	only	ADV
eurjchem-1765	86	26	three	three	NUM
eurjchem-1765	86	27	physicochemical	physicochemical	ADJ
eurjchem-1765	86	28	descriptors	descriptor	NOUN
eurjchem-1765	86	29	(	(	PUNCT
eurjchem-1765	86	30	d	d	NOUN
eurjchem-1765	86	31	,	,	PUNCT
eurjchem-1765	86	32	e	e	NOUN
eurjchem-1765	86	33	,	,	PUNCT
eurjchem-1765	86	34	log	log	VERB
eurjchem-1765	86	35	p	p	NOUN
eurjchem-1765	86	36	(	(	PUNCT
eurjchem-1765	86	37	o	o	NOUN
eurjchem-1765	86	38	/	/	SYM
eurjchem-1765	86	39	w	w	NOUN
eurjchem-1765	86	40	)	)	PUNCT
eurjchem-1765	86	41	)	)	PUNCT
eurjchem-1765	86	42	were	be	AUX
eurjchem-1765	86	43	correlated	correlate	VERB
eurjchem-1765	86	44	simultaneously	simultaneously	ADV
eurjchem-1765	86	45	with	with	ADP
eurjchem-1765	86	46	their	their	PRON
eurjchem-1765	86	47	breast	breast	NOUN
eurjchem-1765	86	48	cancer	cancer	NOUN
eurjchem-1765	86	49	activity	activity	NOUN
eurjchem-1765	86	50	.	.	PUNCT
eurjchem-1765	87	1	lastly	lastly	ADV
eurjchem-1765	87	2	,	,	PUNCT
eurjchem-1765	87	3	a	a	DET
eurjchem-1765	87	4	qsar	qsar	NOUN
eurjchem-1765	87	5	model	model	NOUN
eurjchem-1765	87	6	equation	equation	NOUN
eurjchem-1765	87	7	was	be	AUX
eurjchem-1765	87	8	derived	derive	VERB
eurjchem-1765	87	9	by	by	ADP
eurjchem-1765	87	10	using	use	VERB
eurjchem-1765	87	11	mlr	mlr	NOUN
eurjchem-1765	87	12	statistical	statistical	ADJ
eurjchem-1765	87	13	method	method	NOUN
eurjchem-1765	87	14	(	(	PUNCT
eurjchem-1765	87	15	equation	equation	NOUN
eurjchem-1765	87	16	1	1	NUM
eurjchem-1765	87	17	)	)	PUNCT
eurjchem-1765	87	18	.	.	PUNCT
eurjchem-1765	88	1	the	the	DET
eurjchem-1765	88	2	statistical	statistical	ADJ
eurjchem-1765	88	3	quality	quality	NOUN
eurjchem-1765	88	4	of	of	ADP
eurjchem-1765	88	5	the	the	DET
eurjchem-1765	88	6	regression	regression	NOUN
eurjchem-1765	88	7	equations	equation	NOUN
eurjchem-1765	88	8	were	be	AUX
eurjchem-1765	88	9	justified	justify	VERB
eurjchem-1765	88	10	by	by	ADP
eurjchem-1765	88	11	statistical	statistical	ADJ
eurjchem-1765	88	12	parameters	parameter	NOUN
eurjchem-1765	88	13	such	such	ADJ
eurjchem-1765	88	14	as	as	ADP
eurjchem-1765	88	15	the	the	DET
eurjchem-1765	88	16	root	root	NOUN
eurjchem-1765	88	17	mean	mean	VERB
eurjchem-1765	88	18	square	square	ADJ
eurjchem-1765	88	19	error	error	NOUN
eurjchem-1765	88	20	(	(	PUNCT
eurjchem-1765	88	21	rmse	rmse	NOUN
eurjchem-1765	88	22	)	)	PUNCT
eurjchem-1765	88	23	,	,	PUNCT
eurjchem-1765	88	24	correlation	correlation	NOUN
eurjchem-1765	88	25	coefficient	coefficient	NOUN
eurjchem-1765	88	26	(	(	PUNCT
eurjchem-1765	88	27	r	r	NOUN
eurjchem-1765	88	28	)	)	PUNCT
eurjchem-1765	88	29	,	,	PUNCT
eurjchem-1765	88	30	squared	square	VERB
eurjchem-1765	88	31	correlation	correlation	NOUN
eurjchem-1765	88	32	coefficient	coefficient	NOUN
eurjchem-1765	88	33	(	(	PUNCT
eurjchem-1765	88	34	r2	r2	PROPN
eurjchem-1765	88	35	)	)	PUNCT
eurjchem-1765	88	36	,	,	PUNCT
eurjchem-1765	88	37	standard	standard	ADJ
eurjchem-1765	88	38	error	error	NOUN
eurjchem-1765	88	39	of	of	ADP
eurjchem-1765	88	40	estimate	estimate	NOUN
eurjchem-1765	88	41	(	(	PUNCT
eurjchem-1765	88	42	s	s	NOUN
eurjchem-1765	88	43	)	)	PUNCT
eurjchem-1765	88	44	and	and	CCONJ
eurjchem-1765	88	45	f	f	X
eurjchem-1765	88	46	-	-	PUNCT
eurjchem-1765	88	47	test	test	NOUN
eurjchem-1765	88	48	value	value	NOUN
eurjchem-1765	88	49	(	(	PUNCT
eurjchem-1765	88	50	ratio	ratio	NOUN
eurjchem-1765	88	51	between	between	ADP
eurjchem-1765	88	52	the	the	DET
eurjchem-1765	88	53	variances	variance	NOUN
eurjchem-1765	88	54	of	of	ADP
eurjchem-1765	88	55	observed	observed	ADJ
eurjchem-1765	88	56	and	and	CCONJ
eurjchem-1765	88	57	calculated	calculated	ADJ
eurjchem-1765	88	58	activities	activity	NOUN
eurjchem-1765	88	59	,	,	PUNCT
eurjchem-1765	88	60	f	f	X
eurjchem-1765	88	61	)	)	PUNCT
eurjchem-1765	88	62	.	.	PUNCT
eurjchem-1765	89	1	calculation	calculation	NOUN
eurjchem-1765	89	2	of	of	ADP
eurjchem-1765	89	3	statistical	statistical	ADJ
eurjchem-1765	89	4	parameters	parameter	NOUN
eurjchem-1765	89	5	was	be	AUX
eurjchem-1765	89	6	carried	carry	VERB
eurjchem-1765	89	7	out	out	ADP
eurjchem-1765	89	8	by	by	ADP
eurjchem-1765	89	9	using	use	VERB
eurjchem-1765	89	10	statistical	statistical	ADJ
eurjchem-1765	89	11	program	program	NOUN
eurjchem-1765	89	12	spss	spss	PROPN
eurjchem-1765	89	13	version	version	PROPN
eurjchem-1765	89	14	15.5	15.5	NUM
eurjchem-1765	89	15	.	.	PUNCT
eurjchem-1765	90	1	pc	pc	NOUN
eurjchem-1765	90	2	=	=	VERB
eurjchem-1765	90	3	4.37301	4.37301	NUM
eurjchem-1765	91	1	+	+	CCONJ
eurjchem-1765	91	2	1.59035	1.59035	NUM
eurjchem-1765	91	3	×	×	NOUN
eurjchem-1765	91	4	d	d	NOUN
eurjchem-1765	91	5	+	+	CCONJ
eurjchem-1765	91	6	0.31076	0.31076	NUM
eurjchem-1765	91	7	…	…	PUNCT
eurjchem-1765	91	8	…	…	PUNCT
eurjchem-1765	91	9	×	×	NOUN
eurjchem-1765	91	10	log	log	NOUN
eurjchem-1765	91	11	p	p	X
eurjchem-1765	91	12	(	(	PUNCT
eurjchem-1765	91	13	o	o	NOUN
eurjchem-1765	91	14	/	/	SYM
eurjchem-1765	91	15	w	w	NOUN
eurjchem-1765	91	16	)	)	PUNCT
eurjchem-1765	91	17	0.04322	0.04322	NUM
eurjchem-1765	91	18	×	×	NOUN
eurjchem-1765	91	19	e	e	X
eurjchem-1765	91	20	(	(	PUNCT
eurjchem-1765	91	21	1	1	X
eurjchem-1765	91	22	)	)	PUNCT
eurjchem-1765	91	23	in	in	ADP
eurjchem-1765	91	24	addition	addition	NOUN
eurjchem-1765	91	25	,	,	PUNCT
eurjchem-1765	91	26	the	the	DET
eurjchem-1765	91	27	predictive	predictive	ADJ
eurjchem-1765	91	28	powers	power	NOUN
eurjchem-1765	91	29	of	of	ADP
eurjchem-1765	91	30	the	the	DET
eurjchem-1765	91	31	equations	equation	NOUN
eurjchem-1765	91	32	were	be	AUX
eurjchem-1765	91	33	validated	validate	VERB
eurjchem-1765	91	34	by	by	ADP
eurjchem-1765	91	35	the	the	DET
eurjchem-1765	91	36	leave	leave	VERB
eurjchem-1765	91	37	-	-	PUNCT
eurjchem-1765	91	38	one	one	NUM
eurjchem-1765	91	39	-	-	PUNCT
eurjchem-1765	91	40	out	out	NOUN
eurjchem-1765	91	41	(	(	PUNCT
eurjchem-1765	91	42	loo	loo	NOUN
eurjchem-1765	91	43	)	)	PUNCT
eurjchem-1765	91	44	cross	cross	ADJ
eurjchem-1765	91	45	-	-	ADJ
eurjchem-1765	91	46	validation	validation	ADJ
eurjchem-1765	91	47	method	method	NOUN
eurjchem-1765	91	48	(	(	PUNCT
eurjchem-1765	91	49	cv	cv	PROPN
eurjchem-1765	91	50	)	)	PUNCT
eurjchem-1765	91	51	.	.	PUNCT
eurjchem-1765	92	1	the	the	DET
eurjchem-1765	92	2	cross	cross	NOUN
eurjchem-1765	92	3	validated	validate	VERB
eurjchem-1765	92	4	squared	square	VERB
eurjchem-1765	92	5	correlation	correlation	NOUN
eurjchem-1765	92	6	coefficient	coefficient	NOUN
eurjchem-1765	92	7	(	(	PUNCT
eurjchem-1765	92	8	q2	q2	NOUN
eurjchem-1765	92	9	)	)	PUNCT
eurjchem-1765	92	10	was	be	AUX
eurjchem-1765	92	11	considered	consider	VERB
eurjchem-1765	92	12	for	for	ADP
eurjchem-1765	92	13	the	the	DET
eurjchem-1765	92	14	validation	validation	NOUN
eurjchem-1765	92	15	of	of	ADP
eurjchem-1765	92	16	this	this	DET
eurjchem-1765	92	17	model	model	NOUN
eurjchem-1765	92	18	(	(	PUNCT
eurjchem-1765	92	19	table	table	NOUN
eurjchem-1765	92	20	3	3	NUM
eurjchem-1765	92	21	)	)	PUNCT
eurjchem-1765	92	22	.	.	PUNCT
eurjchem-1765	93	1	the	the	DET
eurjchem-1765	93	2	developed	develop	VERB
eurjchem-1765	93	3	qsar	qsar	NOUN
eurjchem-1765	93	4	model	model	NOUN
eurjchem-1765	93	5	equation	equation	NOUN
eurjchem-1765	93	6	showed	show	VERB
eurjchem-1765	93	7	a	a	DET
eurjchem-1765	93	8	relationship	relationship	NOUN
eurjchem-1765	93	9	between	between	ADP
eurjchem-1765	93	10	predicted	predict	VERB
eurjchem-1765	93	11	pc	pc	NOUN
eurjchem-1765	93	12	values	value	NOUN
eurjchem-1765	93	13	(	(	PUNCT
eurjchem-1765	93	14	-log	-log	X
eurjchem-1765	93	15	ic50	ic50	PROPN
eurjchem-1765	93	16	)	)	PUNCT
eurjchem-1765	93	17	and	and	CCONJ
eurjchem-1765	93	18	correlated	correlate	VERB
eurjchem-1765	93	19	three	three	NUM
eurjchem-1765	93	20	chemical	chemical	ADJ
eurjchem-1765	93	21	descriptors	descriptor	NOUN
eurjchem-1765	93	22	.	.	PUNCT
eurjchem-1765	94	1	it	it	PRON
eurjchem-1765	94	2	is	be	AUX
eurjchem-1765	94	3	evident	evident	ADJ
eurjchem-1765	94	4	from	from	ADP
eurjchem-1765	94	5	the	the	DET
eurjchem-1765	94	6	model	model	NOUN
eurjchem-1765	94	7	equation	equation	NOUN
eurjchem-1765	94	8	that	that	SCONJ
eurjchem-1765	94	9	the	the	DET
eurjchem-1765	94	10	molecular	molecular	ADJ
eurjchem-1765	94	11	descriptors	descriptor	NOUN
eurjchem-1765	94	12	,	,	PUNCT
eurjchem-1765	94	13	namely	namely	ADV
eurjchem-1765	94	14	density	density	NOUN
eurjchem-1765	94	15	and	and	CCONJ
eurjchem-1765	94	16	log	log	NOUN
eurjchem-1765	94	17	(	(	PUNCT
eurjchem-1765	94	18	o	o	NOUN
eurjchem-1765	94	19	/	/	SYM
eurjchem-1765	94	20	w	w	NOUN
eurjchem-1765	94	21	)	)	PUNCT
eurjchem-1765	94	22	partition	partition	NOUN
eurjchem-1765	94	23	coefficient	coefficient	NOUN
eurjchem-1765	94	24	,	,	PUNCT
eurjchem-1765	94	25	are	be	AUX
eurjchem-1765	94	26	positively	positively	ADV
eurjchem-1765	94	27	correlated	correlate	VERB
eurjchem-1765	94	28	.	.	PUNCT
eurjchem-1765	95	1	on	on	ADP
eurjchem-1765	95	2	the	the	DET
eurjchem-1765	95	3	other	other	ADJ
eurjchem-1765	95	4	hand	hand	NOUN
eurjchem-1765	95	5	,	,	PUNCT
eurjchem-1765	95	6	potential	potential	ADJ
eurjchem-1765	95	7	energy	energy	NOUN
eurjchem-1765	95	8	showed	show	VERB
eurjchem-1765	95	9	negative	negative	ADJ
eurjchem-1765	95	10	correlation	correlation	NOUN
eurjchem-1765	95	11	.	.	PUNCT
eurjchem-1765	96	1	2.1.2	2.1.2	X
eurjchem-1765	96	2	.	.	PUNCT
eurjchem-1765	96	3	validation	validation	NOUN
eurjchem-1765	96	4	of	of	ADP
eurjchem-1765	96	5	quantitative	quantitative	ADJ
eurjchem-1765	96	6	structure	structure	NOUN
eurjchem-1765	96	7	-	-	PUNCT
eurjchem-1765	96	8	activity	activity	NOUN
eurjchem-1765	96	9	relationship	relationship	NOUN
eurjchem-1765	96	10	model	model	NOUN
eurjchem-1765	96	11	to	to	PART
eurjchem-1765	96	12	test	test	VERB
eurjchem-1765	96	13	the	the	DET
eurjchem-1765	96	14	internal	internal	ADJ
eurjchem-1765	96	15	stability	stability	NOUN
eurjchem-1765	96	16	and	and	CCONJ
eurjchem-1765	96	17	predictive	predictive	ADJ
eurjchem-1765	96	18	ability	ability	NOUN
eurjchem-1765	96	19	of	of	ADP
eurjchem-1765	96	20	the	the	DET
eurjchem-1765	96	21	derived	derive	VERB
eurjchem-1765	96	22	qsar	qsar	NOUN
eurjchem-1765	96	23	model	model	NOUN
eurjchem-1765	96	24	,	,	PUNCT
eurjchem-1765	96	25	it	it	PRON
eurjchem-1765	96	26	was	be	AUX
eurjchem-1765	96	27	validated	validate	VERB
eurjchem-1765	96	28	or	or	CCONJ
eurjchem-1765	96	29	cross	cros	VERB
eurjchem-1765	96	30	-	-	VERB
eurjchem-1765	96	31	checked	check	VERB
eurjchem-1765	96	32	by	by	ADP
eurjchem-1765	96	33	the	the	DET
eurjchem-1765	96	34	internal	internal	ADJ
eurjchem-1765	96	35	validation	validation	NOUN
eurjchem-1765	96	36	and	and	CCONJ
eurjchem-1765	96	37	external	external	ADJ
eurjchem-1765	96	38	validation	validation	NOUN
eurjchem-1765	96	39	test	test	NOUN
eurjchem-1765	96	40	procedure	procedure	NOUN
eurjchem-1765	96	41	as	as	SCONJ
eurjchem-1765	96	42	follows	follow	VERB
eurjchem-1765	96	43	:	:	PUNCT
eurjchem-1765	96	44	(	(	PUNCT
eurjchem-1765	96	45	a	a	X
eurjchem-1765	96	46	)	)	PUNCT
eurjchem-1765	96	47	internal	internal	ADJ
eurjchem-1765	96	48	validation	validation	NOUN
eurjchem-1765	96	49	by	by	ADP
eurjchem-1765	96	50	training	train	VERB
eurjchem-1765	96	51	set	set	VERB
eurjchem-1765	96	52	compounds	compound	NOUN
eurjchem-1765	96	53	:	:	PUNCT
eurjchem-1765	96	54	this	this	DET
eurjchem-1765	96	55	step	step	NOUN
eurjchem-1765	96	56	was	be	AUX
eurjchem-1765	96	57	carried	carry	VERB
eurjchem-1765	96	58	out	out	ADP
eurjchem-1765	96	59	by	by	ADP
eurjchem-1765	96	60	using	use	VERB
eurjchem-1765	96	61	loo	loo	NOUN
eurjchem-1765	96	62	validation	validation	NOUN
eurjchem-1765	96	63	method	method	NOUN
eurjchem-1765	96	64	.	.	PUNCT
eurjchem-1765	97	1	for	for	ADP
eurjchem-1765	97	2	calculating	calculate	VERB
eurjchem-1765	97	3	cross	cross	NOUN
eurjchem-1765	97	4	validation	validation	NOUN
eurjchem-1765	97	5	regression	regression	NOUN
eurjchem-1765	97	6	coefficient	coefficient	NOUN
eurjchem-1765	97	7	(	(	PUNCT
eurjchem-1765	97	8	q2	q2	NOUN
eurjchem-1765	97	9	)	)	PUNCT
eurjchem-1765	97	10	,	,	PUNCT
eurjchem-1765	97	11	each	each	DET
eurjchem-1765	97	12	molecule	molecule	NOUN
eurjchem-1765	97	13	in	in	ADP
eurjchem-1765	97	14	the	the	DET
eurjchem-1765	97	15	training	training	NOUN
eurjchem-1765	97	16	set	set	NOUN
eurjchem-1765	97	17	was	be	AUX
eurjchem-1765	97	18	eliminated	eliminate	VERB
eurjchem-1765	97	19	once	once	ADV
eurjchem-1765	97	20	,	,	PUNCT
eurjchem-1765	97	21	and	and	CCONJ
eurjchem-1765	97	22	the	the	DET
eurjchem-1765	97	23	activity	activity	NOUN
eurjchem-1765	97	24	of	of	ADP
eurjchem-1765	97	25	the	the	DET
eurjchem-1765	97	26	eliminated	eliminate	VERB
eurjchem-1765	97	27	molecule	molecule	NOUN
eurjchem-1765	97	28	was	be	AUX
eurjchem-1765	97	29	predicted	predict	VERB
eurjchem-1765	97	30	by	by	ADP
eurjchem-1765	97	31	using	use	VERB
eurjchem-1765	97	32	the	the	DET
eurjchem-1765	97	33	qsar	qsar	NOUN
eurjchem-1765	97	34	model	model	NOUN
eurjchem-1765	97	35	developed	develop	VERB
eurjchem-1765	97	36	by	by	ADP
eurjchem-1765	97	37	the	the	DET
eurjchem-1765	97	38	remaining	remain	VERB
eurjchem-1765	97	39	molecules	molecule	NOUN
eurjchem-1765	97	40	.	.	PUNCT
eurjchem-1765	98	1	(	(	PUNCT
eurjchem-1765	98	2	b	b	X
eurjchem-1765	98	3	)	)	PUNCT
eurjchem-1765	98	4	external	external	ADJ
eurjchem-1765	98	5	validation	validation	NOUN
eurjchem-1765	98	6	by	by	ADP
eurjchem-1765	98	7	test	test	NOUN
eurjchem-1765	98	8	set	set	VERB
eurjchem-1765	98	9	compounds	compound	NOUN
eurjchem-1765	98	10	:	:	PUNCT
eurjchem-1765	98	11	in	in	ADP
eurjchem-1765	98	12	this	this	DET
eurjchem-1765	98	13	step	step	NOUN
eurjchem-1765	98	14	the	the	DET
eurjchem-1765	98	15	activity	activity	NOUN
eurjchem-1765	98	16	of	of	ADP
eurjchem-1765	98	17	each	each	DET
eurjchem-1765	98	18	molecule	molecule	NOUN
eurjchem-1765	98	19	in	in	ADP
eurjchem-1765	98	20	the	the	DET
eurjchem-1765	98	21	test	test	NOUN
eurjchem-1765	98	22	set	set	NOUN
eurjchem-1765	98	23	was	be	AUX
eurjchem-1765	98	24	predicted	predict	VERB
eurjchem-1765	98	25	by	by	ADP
eurjchem-1765	98	26	using	use	VERB
eurjchem-1765	98	27	the	the	DET
eurjchem-1765	98	28	derived	derive	VERB
eurjchem-1765	98	29	qsar	qsar	NOUN
eurjchem-1765	98	30	model	model	NOUN
eurjchem-1765	98	31	developed	develop	VERB
eurjchem-1765	98	32	by	by	ADP
eurjchem-1765	98	33	the	the	DET
eurjchem-1765	98	34	training	training	NOUN
eurjchem-1765	98	35	set	set	NOUN
eurjchem-1765	98	36	compounds	compound	VERB
eurjchem-1765	98	37	[	[	X
eurjchem-1765	98	38	11	11	NUM
eurjchem-1765	98	39	]	]	PUNCT
eurjchem-1765	98	40	.	.	PUNCT
eurjchem-1765	99	1	the	the	DET
eurjchem-1765	99	2	observed	observe	VERB
eurjchem-1765	99	3	activities	activity	NOUN
eurjchem-1765	99	4	and	and	CCONJ
eurjchem-1765	99	5	those	those	PRON
eurjchem-1765	99	6	provided	provide	VERB
eurjchem-1765	99	7	by	by	ADP
eurjchem-1765	99	8	qsar	qsar	NOUN
eurjchem-1765	99	9	studies	study	NOUN
eurjchem-1765	99	10	(	(	PUNCT
eurjchem-1765	99	11	equation	equation	NOUN
eurjchem-1765	99	12	1	1	NUM
eurjchem-1765	99	13	)	)	PUNCT
eurjchem-1765	99	14	for	for	ADP
eurjchem-1765	99	15	training	training	NOUN
eurjchem-1765	99	16	and	and	CCONJ
eurjchem-1765	99	17	test	test	NOUN
eurjchem-1765	99	18	set	set	VERB
eurjchem-1765	99	19	were	be	AUX
eurjchem-1765	99	20	presented	present	VERB
eurjchem-1765	99	21	in	in	ADP
eurjchem-1765	99	22	tables	table	NOUN
eurjchem-1765	99	23	4	4	NUM
eurjchem-1765	99	24	and	and	CCONJ
eurjchem-1765	99	25	5	5	NUM
eurjchem-1765	99	26	.	.	PUNCT
eurjchem-1765	100	1	it	it	PRON
eurjchem-1765	100	2	should	should	AUX
eurjchem-1765	100	3	be	be	AUX
eurjchem-1765	100	4	noted	note	VERB
eurjchem-1765	100	5	that	that	SCONJ
eurjchem-1765	100	6	the	the	DET
eurjchem-1765	100	7	predicated	predicate	VERB
eurjchem-1765	100	8	anticancer	anticancer	NOUN
eurjchem-1765	100	9	activities	activity	NOUN
eurjchem-1765	100	10	by	by	ADP
eurjchem-1765	100	11	obtained	obtain	VERB
eurjchem-1765	100	12	qsar	qsar	NOUN
eurjchem-1765	100	13	model	model	NOUN
eurjchem-1765	100	14	was	be	AUX
eurjchem-1765	100	15	close	close	ADJ
eurjchem-1765	100	16	to	to	ADP
eurjchem-1765	100	17	those	those	PRON
eurjchem-1765	100	18	experimentally	experimentally	ADV
eurjchem-1765	100	19	observed	observe	VERB
eurjchem-1765	100	20	,	,	PUNCT
eurjchem-1765	100	21	indicating	indicate	VERB
eurjchem-1765	100	22	that	that	SCONJ
eurjchem-1765	100	23	these	these	DET
eurjchem-1765	100	24	model	model	NOUN
eurjchem-1765	100	25	can	can	AUX
eurjchem-1765	100	26	be	be	AUX
eurjchem-1765	100	27	safely	safely	ADV
eurjchem-1765	100	28	applied	apply	VERB
eurjchem-1765	100	29	for	for	ADP
eurjchem-1765	100	30	predication	predication	NOUN
eurjchem-1765	100	31	of	of	ADP
eurjchem-1765	100	32	more	more	ADV
eurjchem-1765	100	33	effective	effective	ADJ
eurjchem-1765	100	34	hits	hit	NOUN
eurjchem-1765	100	35	having	have	VERB
eurjchem-1765	100	36	the	the	DET
eurjchem-1765	100	37	same	same	ADJ
eurjchem-1765	100	38	skeletal	skeletal	ADJ
eurjchem-1765	100	39	framework	framework	NOUN
eurjchem-1765	100	40	as	as	ADP
eurjchem-1765	100	41	that	that	PRON
eurjchem-1765	100	42	of	of	ADP
eurjchem-1765	100	43	the	the	DET
eurjchem-1765	100	44	potent	potent	ADJ
eurjchem-1765	100	45	anticancer	anticancer	NOUN
eurjchem-1765	100	46	compound	compound	NOUN
eurjchem-1765	100	47	.	.	PUNCT
eurjchem-1765	101	1	2.1.3	2.1.3	X
eurjchem-1765	101	2	.	.	PUNCT
eurjchem-1765	101	3	predict	predict	VERB
eurjchem-1765	101	4	the	the	DET
eurjchem-1765	101	5	activity	activity	NOUN
eurjchem-1765	101	6	of	of	ADP
eurjchem-1765	101	7	designed	design	VERB
eurjchem-1765	101	8	α	α	NOUN
eurjchem-1765	101	9	,	,	PUNCT
eurjchem-1765	101	10	β	β	ADJ
eurjchem-1765	101	11	-	-	ADJ
eurjchem-1765	101	12	unsaturated	unsaturate	VERB
eurjchem-1765	101	13	carbonyl	carbonyl	NOUN
eurjchem-1765	101	14	compounds	compound	NOUN
eurjchem-1765	101	15	(	(	PUNCT
eurjchem-1765	101	16	a1	a1	NOUN
eurjchem-1765	101	17	-	-	PUNCT
eurjchem-1765	101	18	16	16	NUM
eurjchem-1765	101	19	)	)	PUNCT
eurjchem-1765	101	20	a	a	DET
eurjchem-1765	101	21	set	set	NOUN
eurjchem-1765	101	22	of	of	ADP
eurjchem-1765	101	23	designed	design	VERB
eurjchem-1765	101	24	α	α	PROPN
eurjchem-1765	101	25	,	,	PUNCT
eurjchem-1765	101	26	β	β	ADJ
eurjchem-1765	101	27	-	-	ADJ
eurjchem-1765	101	28	unsaturated	unsaturate	VERB
eurjchem-1765	101	29	carbonyl	carbonyl	NOUN
eurjchem-1765	101	30	compounds	compound	NOUN
eurjchem-1765	101	31	(	(	PUNCT
eurjchem-1765	101	32	a1	a1	NOUN
eurjchem-1765	101	33	-	-	PUNCT
eurjchem-1765	101	34	16	16	NUM
eurjchem-1765	101	35	)	)	PUNCT
eurjchem-1765	101	36	were	be	AUX
eurjchem-1765	101	37	sketched	sketch	VERB
eurjchem-1765	101	38	using	use	VERB
eurjchem-1765	101	39	the	the	DET
eurjchem-1765	101	40	computer	computer	NOUN
eurjchem-1765	101	41	software	software	NOUN
eurjchem-1765	101	42	chembiodraw	chembiodraw	PROPN
eurjchem-1765	101	43	program	program	NOUN
eurjchem-1765	101	44	.	.	PUNCT
eurjchem-1765	102	1	these	these	DET
eurjchem-1765	102	2	compounds	compound	NOUN
eurjchem-1765	102	3	were	be	AUX
eurjchem-1765	102	4	not	not	PART
eurjchem-1765	102	5	used	use	VERB
eurjchem-1765	102	6	in	in	ADP
eurjchem-1765	102	7	the	the	DET
eurjchem-1765	102	8	developed	develop	VERB
eurjchem-1765	102	9	qsar	qsar	NOUN
eurjchem-1765	102	10	model	model	NOUN
eurjchem-1765	102	11	,	,	PUNCT
eurjchem-1765	102	12	but	but	CCONJ
eurjchem-1765	102	13	sketched	sketch	VERB
eurjchem-1765	102	14	to	to	PART
eurjchem-1765	102	15	predict	predict	VERB
eurjchem-1765	102	16	their	their	PRON
eurjchem-1765	102	17	anticancer	anticancer	NOUN
eurjchem-1765	102	18	activity	activity	NOUN
eurjchem-1765	102	19	against	against	ADP
eurjchem-1765	102	20	mcf-7	mcf-7	PUNCT
eurjchem-1765	102	21	by	by	ADP
eurjchem-1765	102	22	using	use	VERB
eurjchem-1765	102	23	developed	develop	VERB
eurjchem-1765	102	24	qsar	qsar	NOUN
eurjchem-1765	102	25	model	model	NOUN
eurjchem-1765	102	26	(	(	PUNCT
eurjchem-1765	102	27	equation	equation	NOUN
eurjchem-1765	102	28	1	1	NUM
eurjchem-1765	102	29	)	)	PUNCT
eurjchem-1765	102	30	.	.	PUNCT
eurjchem-1765	103	1	the	the	DET
eurjchem-1765	103	2	predicted	predict	VERB
eurjchem-1765	103	3	activity	activity	NOUN
eurjchem-1765	103	4	along	along	ADP
eurjchem-1765	103	5	with	with	ADP
eurjchem-1765	103	6	the	the	DET
eurjchem-1765	103	7	sketched	sketched	ADJ
eurjchem-1765	103	8	structures	structure	NOUN
eurjchem-1765	103	9	was	be	AUX
eurjchem-1765	103	10	listed	list	VERB
eurjchem-1765	103	11	in	in	ADP
eurjchem-1765	103	12	table	table	NOUN
eurjchem-1765	103	13	6	6	NUM
eurjchem-1765	103	14	.	.	PUNCT
eurjchem-1765	103	15	2.2	2.2	NUM
eurjchem-1765	103	16	.	.	PUNCT
eurjchem-1765	104	1	molecular	molecular	ADJ
eurjchem-1765	104	2	docking	dock	VERB
eurjchem-1765	104	3	molecular	molecular	ADJ
eurjchem-1765	104	4	docking	docking	NOUN
eurjchem-1765	104	5	study	study	NOUN
eurjchem-1765	104	6	is	be	AUX
eurjchem-1765	104	7	a	a	DET
eurjchem-1765	104	8	well	well	ADV
eurjchem-1765	104	9	-	-	PUNCT
eurjchem-1765	104	10	established	establish	VERB
eurjchem-1765	104	11	technique	technique	NOUN
eurjchem-1765	104	12	to	to	PART
eurjchem-1765	104	13	determine	determine	VERB
eurjchem-1765	104	14	the	the	DET
eurjchem-1765	104	15	interactions	interaction	NOUN
eurjchem-1765	104	16	between	between	ADP
eurjchem-1765	104	17	two	two	NUM
eurjchem-1765	104	18	molecules	molecule	NOUN
eurjchem-1765	104	19	(	(	PUNCT
eurjchem-1765	104	20	ligandreceptor	ligandreceptor	NOUN
eurjchem-1765	104	21	)	)	PUNCT
eurjchem-1765	104	22	and	and	CCONJ
eurjchem-1765	104	23	to	to	PART
eurjchem-1765	104	24	find	find	VERB
eurjchem-1765	104	25	the	the	DET
eurjchem-1765	104	26	best	good	ADJ
eurjchem-1765	104	27	orientation	orientation	NOUN
eurjchem-1765	104	28	of	of	ADP
eurjchem-1765	104	29	ligand	ligand	NOUN
eurjchem-1765	104	30	that	that	PRON
eurjchem-1765	104	31	would	would	AUX
eurjchem-1765	104	32	form	form	VERB
eurjchem-1765	104	33	a	a	DET
eurjchem-1765	104	34	complex	complex	NOUN
eurjchem-1765	104	35	with	with	ADP
eurjchem-1765	104	36	overall	overall	ADJ
eurjchem-1765	104	37	minimum	minimum	ADJ
eurjchem-1765	104	38	energy	energy	NOUN
eurjchem-1765	104	39	[	[	X
eurjchem-1765	104	40	12	12	NUM
eurjchem-1765	104	41	]	]	PUNCT
eurjchem-1765	104	42	.	.	PUNCT
eurjchem-1765	105	1	it	it	PRON
eurjchem-1765	105	2	was	be	AUX
eurjchem-1765	105	3	of	of	ADP
eurjchem-1765	105	4	interest	interest	NOUN
eurjchem-1765	105	5	to	to	PART
eurjchem-1765	105	6	perform	perform	VERB
eurjchem-1765	105	7	molecular	molecular	ADJ
eurjchem-1765	105	8	docking	docking	NOUN
eurjchem-1765	105	9	for	for	ADP
eurjchem-1765	105	10	the	the	DET
eurjchem-1765	105	11	designed	design	VERB
eurjchem-1765	105	12	set	set	NOUN
eurjchem-1765	105	13	(	(	PUNCT
eurjchem-1765	105	14	a1	a1	PROPN
eurjchem-1765	105	15	-	-	PUNCT
eurjchem-1765	105	16	16	16	NUM
eurjchem-1765	105	17	)	)	PUNCT
eurjchem-1765	105	18	,	,	PUNCT
eurjchem-1765	105	19	in	in	ADP
eurjchem-1765	105	20	order	order	NOUN
eurjchem-1765	105	21	to	to	PART
eurjchem-1765	105	22	understand	understand	VERB
eurjchem-1765	105	23	the	the	DET
eurjchem-1765	105	24	ligand	ligand	ADJ
eurjchem-1765	105	25	–	–	PUNCT
eurjchem-1765	105	26	protein	protein	NOUN
eurjchem-1765	105	27	interaction	interaction	NOUN
eurjchem-1765	105	28	in	in	ADP
eurjchem-1765	105	29	detail	detail	NOUN
eurjchem-1765	105	30	.	.	PUNCT
eurjchem-1765	106	1	the	the	DET
eurjchem-1765	106	2	protein	protein	NOUN
eurjchem-1765	106	3	file	file	NOUN
eurjchem-1765	106	4	(	(	PUNCT
eurjchem-1765	106	5	pdb	pdb	PROPN
eurjchem-1765	106	6	i	i	PROPN
eurjchem-1765	106	7	d	d	PROPN
eurjchem-1765	106	8	:	:	PUNCT
eurjchem-1765	106	9	3dkc	3dkc	NUM
eurjchem-1765	106	10	)	)	PUNCT
eurjchem-1765	106	11	selected	select	VERB
eurjchem-1765	106	12	for	for	ADP
eurjchem-1765	106	13	this	this	DET
eurjchem-1765	106	14	purpose	purpose	NOUN
eurjchem-1765	106	15	obtained	obtain	VERB
eurjchem-1765	106	16	from	from	ADP
eurjchem-1765	106	17	protein	protein	NOUN
eurjchem-1765	106	18	data	datum	NOUN
eurjchem-1765	106	19	bank	bank	NOUN
eurjchem-1765	106	20	and	and	CCONJ
eurjchem-1765	106	21	further	far	ADV
eurjchem-1765	106	22	optimized	optimize	VERB
eurjchem-1765	106	23	and	and	CCONJ
eurjchem-1765	106	24	minimized	minimize	VERB
eurjchem-1765	106	25	to	to	PART
eurjchem-1765	106	26	obtain	obtain	VERB
eurjchem-1765	106	27	a	a	DET
eurjchem-1765	106	28	low	low	ADJ
eurjchem-1765	106	29	energy	energy	NOUN
eurjchem-1765	106	30	and	and	CCONJ
eurjchem-1765	106	31	structural	structural	ADJ
eurjchem-1765	106	32	correct	correct	ADJ
eurjchem-1765	106	33	target	target	NOUN
eurjchem-1765	106	34	protein	protein	NOUN
eurjchem-1765	106	35	.	.	PUNCT
eurjchem-1765	107	1	3	3	X
eurjchem-1765	107	2	.	.	NOUN
eurjchem-1765	107	3	results	result	NOUN
eurjchem-1765	107	4	and	and	CCONJ
eurjchem-1765	107	5	discussion	discussion	NOUN
eurjchem-1765	107	6	3.1	3.1	NUM
eurjchem-1765	107	7	.	.	PUNCT
eurjchem-1765	108	1	qsar	qsar	PROPN
eurjchem-1765	108	2	studies	study	NOUN
eurjchem-1765	108	3	quantitative	quantitative	ADJ
eurjchem-1765	108	4	structure	structure	NOUN
eurjchem-1765	108	5	activity	activity	NOUN
eurjchem-1765	108	6	relationships	relationship	NOUN
eurjchem-1765	108	7	studies	study	NOUN
eurjchem-1765	108	8	are	be	AUX
eurjchem-1765	108	9	useful	useful	ADJ
eurjchem-1765	108	10	tools	tool	NOUN
eurjchem-1765	108	11	in	in	ADP
eurjchem-1765	108	12	the	the	DET
eurjchem-1765	108	13	rational	rational	ADJ
eurjchem-1765	108	14	search	search	NOUN
eurjchem-1765	108	15	for	for	ADP
eurjchem-1765	108	16	bioactive	bioactive	ADJ
eurjchem-1765	108	17	molecules	molecule	NOUN
eurjchem-1765	108	18	.	.	PUNCT
eurjchem-1765	109	1	the	the	DET
eurjchem-1765	109	2	main	main	ADJ
eurjchem-1765	109	3	success	success	NOUN
eurjchem-1765	109	4	of	of	ADP
eurjchem-1765	109	5	the	the	DET
eurjchem-1765	109	6	qsar	qsar	NOUN
eurjchem-1765	109	7	method	method	NOUN
eurjchem-1765	109	8	is	be	AUX
eurjchem-1765	109	9	the	the	DET
eurjchem-1765	109	10	possibility	possibility	NOUN
eurjchem-1765	109	11	to	to	PART
eurjchem-1765	109	12	estimate	estimate	VERB
eurjchem-1765	109	13	the	the	DET
eurjchem-1765	109	14	characteristics	characteristic	NOUN
eurjchem-1765	109	15	of	of	ADP
eurjchem-1765	109	16	new	new	ADJ
eurjchem-1765	109	17	chemical	chemical	NOUN
eurjchem-1765	109	18	compounds	compound	NOUN
eurjchem-1765	109	19	without	without	ADP
eurjchem-1765	109	20	the	the	DET
eurjchem-1765	109	21	need	need	NOUN
eurjchem-1765	109	22	to	to	PART
eurjchem-1765	109	23	synthesize	synthesize	VERB
eurjchem-1765	109	24	and	and	CCONJ
eurjchem-1765	109	25	test	test	VERB
eurjchem-1765	109	26	them	they	PRON
eurjchem-1765	109	27	[	[	X
eurjchem-1765	109	28	8	8	NUM
eurjchem-1765	109	29	]	]	X
eurjchem-1765	109	30	.	.	PUNCT
eurjchem-1765	110	1	2018	2018	NUM
eurjchem-1765	110	2	–	–	PUNCT
eurjchem-1765	110	3	european	european	ADJ
eurjchem-1765	110	4	journal	journal	NOUN
eurjchem-1765	110	5	of	of	ADP
eurjchem-1765	110	6	chemistry	chemistry	NOUN
eurjchem-1765	110	7	–	–	PUNCT
eurjchem-1765	110	8	cc	cc	NOUN
eurjchem-1765	110	9	by	by	ADP
eurjchem-1765	110	10	nc	nc	PROPN
eurjchem-1765	110	11	–	–	PUNCT
eurjchem-1765	110	12	doi	doi	PROPN
eurjchem-1765	110	13	:	:	PUNCT
eurjchem-1765	110	14	10.5155	10.5155	NUM
eurjchem-1765	110	15	/	/	SYM
eurjchem-1765	110	16	eurjchem.9.3.275	eurjchem.9.3.275	PROPN
eurjchem-1765	110	17	-	-	PUNCT
eurjchem-1765	110	18	280.1765	280.1765	NUM
eurjchem-1765	110	19	278	278	NUM
eurjchem-1765	110	20	almahdi	almahdi	NOUN
eurjchem-1765	110	21	et	et	PROPN
eurjchem-1765	110	22	al	al	PROPN
eurjchem-1765	110	23	.	.	PUNCT
eurjchem-1765	110	24	/	/	SYM
eurjchem-1765	110	25	european	european	PROPN
eurjchem-1765	110	26	journal	journal	PROPN
eurjchem-1765	110	27	of	of	ADP
eurjchem-1765	110	28	chemistry	chemistry	NOUN
eurjchem-1765	110	29	9	9	NUM
eurjchem-1765	110	30	(	(	PUNCT
eurjchem-1765	110	31	3	3	NUM
eurjchem-1765	110	32	)	)	PUNCT
eurjchem-1765	110	33	(	(	PUNCT
eurjchem-1765	110	34	2018	2018	NUM
eurjchem-1765	110	35	)	)	PUNCT
eurjchem-1765	110	36	275	275	NUM
eurjchem-1765	110	37	-	-	SYM
eurjchem-1765	110	38	280	280	NUM
eurjchem-1765	110	39	table	table	NOUN
eurjchem-1765	110	40	6	6	NUM
eurjchem-1765	110	41	.	.	PUNCT
eurjchem-1765	110	42	structures	structure	NOUN
eurjchem-1765	110	43	of	of	ADP
eurjchem-1765	110	44	designed	design	VERB
eurjchem-1765	110	45	α	α	PROPN
eurjchem-1765	110	46	-	-	PUNCT
eurjchem-1765	110	47	β	β	NOUN
eurjchem-1765	110	48	unsaturated	unsaturated	ADJ
eurjchem-1765	110	49	carbonyl	carbonyl	NOUN
eurjchem-1765	110	50	compounds	compound	NOUN
eurjchem-1765	110	51	with	with	ADP
eurjchem-1765	110	52	their	their	PRON
eurjchem-1765	110	53	predicted	predict	VERB
eurjchem-1765	110	54	pc	pc	NOUN
eurjchem-1765	110	55	values	value	NOUN
eurjchem-1765	110	56	against	against	ADP
eurjchem-1765	110	57	human	human	ADJ
eurjchem-1765	110	58	breast	breast	NOUN
eurjchem-1765	110	59	cancer	cancer	NOUN
eurjchem-1765	110	60	(	(	PUNCT
eurjchem-1765	110	61	mcf-7	mcf-7	NOUN
eurjchem-1765	110	62	)	)	PUNCT
eurjchem-1765	110	63	.	.	PUNCT
eurjchem-1765	111	1	r	r	NOUN
eurjchem-1765	111	2	o	o	NOUN
eurjchem-1765	111	3	r1	r1	NOUN
eurjchem-1765	111	4	i	i	PROPN
eurjchem-1765	111	5	d	d	PROPN
eurjchem-1765	111	6	r	r	PROPN
eurjchem-1765	111	7	r1	r1	PROPN
eurjchem-1765	111	8	predicted	predict	VERB
eurjchem-1765	111	9	pc	pc	NOUN
eurjchem-1765	111	10	i	i	NOUN
eurjchem-1765	111	11	d	d	NOUN
eurjchem-1765	111	12	r	r	NOUN
eurjchem-1765	111	13	r1	r1	PROPN
eurjchem-1765	111	14	predicted	predict	VERB
eurjchem-1765	111	15	pc	pc	NOUN
eurjchem-1765	111	16	a1	a1	NOUN
eurjchem-1765	111	17	cl	cl	NOUN
eurjchem-1765	111	18	-h	-h	SYM
eurjchem-1765	111	19	5.42	5.42	NUM
eurjchem-1765	111	20	a9	a9	PROPN
eurjchem-1765	111	21	-no2	-no2	X
eurjchem-1765	111	22	4.47	4.47	NUM
eurjchem-1765	111	23	a2	a2	PROPN
eurjchem-1765	111	24	-h	-h	PUNCT
eurjchem-1765	111	25	5.13	5.13	NUM
eurjchem-1765	111	26	a10	a10	PROPN
eurjchem-1765	111	27	cl	cl	NOUN
eurjchem-1765	111	28	-no2	-no2	PROPN
eurjchem-1765	111	29	4.82	4.82	NUM
eurjchem-1765	111	30	a3	a3	NOUN
eurjchem-1765	111	31	o	o	PROPN
eurjchem-1765	111	32	-h	-h	SYM
eurjchem-1765	111	33	5.12	5.12	NUM
eurjchem-1765	111	34	a11	a11	PROPN
eurjchem-1765	111	35	n	n	CCONJ
eurjchem-1765	111	36	h3c	h3c	PROPN
eurjchem-1765	111	37	h3c	h3c	X
eurjchem-1765	111	38	-no2	-no2	PROPN
eurjchem-1765	111	39	3.74	3.74	NUM
eurjchem-1765	111	40	a4	a4	NOUN
eurjchem-1765	111	41	-br	-br	ADP
eurjchem-1765	111	42	5.75	5.75	NUM
eurjchem-1765	111	43	a12	a12	NOUN
eurjchem-1765	111	44	-no2	-no2	NUM
eurjchem-1765	111	45	4.52	4.52	NUM
eurjchem-1765	111	46	a5	a5	PROPN
eurjchem-1765	111	47	cl	cl	NOUN
eurjchem-1765	111	48	-br	-br	ADP
eurjchem-1765	111	49	6.08	6.08	NUM
eurjchem-1765	111	50	a13	a13	NOUN
eurjchem-1765	111	51	o	o	PROPN
eurjchem-1765	111	52	-no2	-no2	PROPN
eurjchem-1765	111	53	4.94	4.94	NUM
eurjchem-1765	111	54	a6	a6	NOUN
eurjchem-1765	111	55	n	n	X
eurjchem-1765	111	56	h3c	h3c	VERB
eurjchem-1765	111	57	h3c	h3c	X
eurjchem-1765	111	58	-br	-br	NOUN
eurjchem-1765	111	59	4.99	4.99	NUM
eurjchem-1765	111	60	a14	a14	NOUN
eurjchem-1765	111	61	cl	cl	NOUN
eurjchem-1765	111	62	-ch3	-ch3	PROPN
eurjchem-1765	111	63	5.38	5.38	NUM
eurjchem-1765	111	64	a7	a7	NOUN
eurjchem-1765	111	65	-br	-br	ADP
eurjchem-1765	111	66	5.77	5.77	NUM
eurjchem-1765	111	67	a15	a15	NOUN
eurjchem-1765	111	68	-ch3	-ch3	NUM
eurjchem-1765	111	69	5.09	5.09	NUM
eurjchem-1765	111	70	a8	a8	PROPN
eurjchem-1765	111	71	o	o	NOUN
eurjchem-1765	111	72	-br	-br	ADP
eurjchem-1765	112	1	6.24	6.24	NUM
eurjchem-1765	112	2	a16	a16	NOUN
eurjchem-1765	112	3	o	o	NOUN
eurjchem-1765	112	4	-ch3	-ch3	PROPN
eurjchem-1765	112	5	5.47	5.47	NUM
eurjchem-1765	112	6	y=	y=	NUM
eurjchem-1765	112	7	0.8468x	0.8468x	CCONJ
eurjchem-1765	113	1	+	+	CCONJ
eurjchem-1765	113	2	0.7437	0.7437	NUM
eurjchem-1765	113	3	r=	r=	ADJ
eurjchem-1765	113	4	0.9202	0.9202	NUM
eurjchem-1765	113	5	,	,	PUNCT
eurjchem-1765	113	6	r²	r²	NOUN
eurjchem-1765	113	7	=	=	PUNCT
eurjchem-1765	113	8	0.8468	0.8468	NUM
eurjchem-1765	113	9	4.0	4.0	NUM
eurjchem-1765	113	10	4.2	4.2	NUM
eurjchem-1765	113	11	4.4	4.4	NUM
eurjchem-1765	113	12	4.6	4.6	NUM
eurjchem-1765	113	13	4.8	4.8	NUM
eurjchem-1765	113	14	5.0	5.0	NUM
eurjchem-1765	113	15	5.2	5.2	NUM
eurjchem-1765	113	16	5.4	5.4	NUM
eurjchem-1765	113	17	3.9	3.9	NUM
eurjchem-1765	113	18	4.1	4.1	NUM
eurjchem-1765	113	19	4.3	4.3	NUM
eurjchem-1765	113	20	4.5	4.5	NUM
eurjchem-1765	113	21	4.7	4.7	NUM
eurjchem-1765	113	22	4.9	4.9	NUM
eurjchem-1765	113	23	5.1	5.1	NUM
eurjchem-1765	113	24	5.3	5.3	NUM
eurjchem-1765	113	25	pr	pr	NOUN
eurjchem-1765	113	26	ed	ed	NOUN
eurjchem-1765	114	1	ic	ic	PROPN
eurjchem-1765	114	2	te	te	PROPN
eurjchem-1765	114	3	d	d	PROPN
eurjchem-1765	114	4	pc	pc	NOUN
eurjchem-1765	114	5	observed	observe	VERB
eurjchem-1765	114	6	pc	pc	NOUN
eurjchem-1765	114	7	figure	figure	NOUN
eurjchem-1765	114	8	1	1	NUM
eurjchem-1765	114	9	.	.	PUNCT
eurjchem-1765	114	10	predicted	predict	VERB
eurjchem-1765	114	11	versus	versus	ADP
eurjchem-1765	114	12	observed	observed	ADJ
eurjchem-1765	114	13	pc	pc	NOUN
eurjchem-1765	114	14	values	value	NOUN
eurjchem-1765	114	15	of	of	ADP
eurjchem-1765	114	16	training	training	NOUN
eurjchem-1765	114	17	set	set	VERB
eurjchem-1765	114	18	against	against	ADP
eurjchem-1765	114	19	human	human	ADJ
eurjchem-1765	114	20	breast	breast	NOUN
eurjchem-1765	114	21	cancer	cancer	NOUN
eurjchem-1765	114	22	mcf-7	mcf-7	PUNCT
eurjchem-1765	114	23	.	.	PUNCT
eurjchem-1765	115	1	y=	y=	NUM
eurjchem-1765	115	2	0.8056x+	0.8056x+	SYM
eurjchem-1765	116	1	0.9506	0.9506	NUM
eurjchem-1765	116	2	r=	r=	ADJ
eurjchem-1765	116	3	0.8730	0.8730	NUM
eurjchem-1765	116	4	,	,	PUNCT
eurjchem-1765	116	5	r²	r²	NOUN
eurjchem-1765	116	6	=	=	NOUN
eurjchem-1765	116	7	0.7621	0.7621	NUM
eurjchem-1765	116	8	4.0	4.0	NUM
eurjchem-1765	116	9	4.2	4.2	NUM
eurjchem-1765	116	10	4.4	4.4	NUM
eurjchem-1765	116	11	4.6	4.6	NUM
eurjchem-1765	116	12	4.8	4.8	NUM
eurjchem-1765	116	13	5.0	5.0	NUM
eurjchem-1765	116	14	5.2	5.2	NUM
eurjchem-1765	116	15	5.4	5.4	NUM
eurjchem-1765	116	16	3.9	3.9	NUM
eurjchem-1765	116	17	4.1	4.1	NUM
eurjchem-1765	116	18	4.3	4.3	NUM
eurjchem-1765	116	19	4.5	4.5	NUM
eurjchem-1765	116	20	4.7	4.7	NUM
eurjchem-1765	116	21	4.9	4.9	NUM
eurjchem-1765	116	22	5.1	5.1	NUM
eurjchem-1765	116	23	5.3	5.3	NUM
eurjchem-1765	116	24	pr	pr	NOUN
eurjchem-1765	117	1	ed	ed	NOUN
eurjchem-1765	117	2	ic	ic	PROPN
eurjchem-1765	118	1	te	te	PROPN
eurjchem-1765	118	2	d	d	PROPN
eurjchem-1765	118	3	pc	pc	NOUN
eurjchem-1765	118	4	observed	observe	VERB
eurjchem-1765	118	5	pc	pc	NOUN
eurjchem-1765	118	6	figure	figure	NOUN
eurjchem-1765	118	7	2	2	NUM
eurjchem-1765	118	8	.	.	PUNCT
eurjchem-1765	118	9	predicted	predict	VERB
eurjchem-1765	118	10	versus	versus	ADP
eurjchem-1765	118	11	observed	observed	ADJ
eurjchem-1765	118	12	pc	pc	NOUN
eurjchem-1765	118	13	values	value	NOUN
eurjchem-1765	118	14	of	of	ADP
eurjchem-1765	118	15	cross	cross	ADJ
eurjchem-1765	118	16	validation	validation	NOUN
eurjchem-1765	118	17	against	against	ADP
eurjchem-1765	118	18	human	human	ADJ
eurjchem-1765	118	19	breast	breast	NOUN
eurjchem-1765	118	20	cancer	cancer	NOUN
eurjchem-1765	118	21	mcf-7	mcf-7	PROPN
eurjchem-1765	118	22	.	.	PUNCT
eurjchem-1765	119	1	the	the	DET
eurjchem-1765	119	2	resulted	result	VERB
eurjchem-1765	119	3	qsar	qsar	NOUN
eurjchem-1765	119	4	model	model	NOUN
eurjchem-1765	119	5	equation	equation	NOUN
eurjchem-1765	119	6	showed	show	VERB
eurjchem-1765	119	7	a	a	DET
eurjchem-1765	119	8	high	high	ADJ
eurjchem-1765	119	9	square	square	NOUN
eurjchem-1765	119	10	of	of	ADP
eurjchem-1765	119	11	the	the	DET
eurjchem-1765	119	12	correlation	correlation	NOUN
eurjchem-1765	119	13	coefficient	coefficient	NOUN
eurjchem-1765	119	14	(	(	PUNCT
eurjchem-1765	119	15	r2	r2	PROPN
eurjchem-1765	119	16	=	=	SYM
eurjchem-1765	119	17	0.84684	0.84684	NUM
eurjchem-1765	119	18	)	)	PUNCT
eurjchem-1765	119	19	and	and	CCONJ
eurjchem-1765	119	20	low	low	ADJ
eurjchem-1765	119	21	root	root	NOUN
eurjchem-1765	119	22	mean	mean	ADJ
eurjchem-1765	119	23	square	square	ADJ
eurjchem-1765	119	24	error	error	NOUN
eurjchem-1765	119	25	(	(	PUNCT
eurjchem-1765	119	26	rmse	rmse	NOUN
eurjchem-1765	119	27	=	=	SYM
eurjchem-1765	119	28	0.1455	0.1455	NUM
eurjchem-1765	119	29	)	)	PUNCT
eurjchem-1765	119	30	,	,	PUNCT
eurjchem-1765	119	31	all	all	DET
eurjchem-1765	119	32	other	other	ADJ
eurjchem-1765	119	33	statistical	statistical	ADJ
eurjchem-1765	119	34	parameters	parameter	NOUN
eurjchem-1765	119	35	calculated	calculate	VERB
eurjchem-1765	119	36	to	to	PART
eurjchem-1765	119	37	justified	justified	VERB
eurjchem-1765	119	38	the	the	DET
eurjchem-1765	119	39	statistical	statistical	ADJ
eurjchem-1765	119	40	quality	quality	NOUN
eurjchem-1765	119	41	of	of	ADP
eurjchem-1765	119	42	model	model	NOUN
eurjchem-1765	119	43	were	be	AUX
eurjchem-1765	119	44	in	in	ADP
eurjchem-1765	119	45	acceptable	acceptable	ADJ
eurjchem-1765	119	46	rang	ring	VERB
eurjchem-1765	119	47	(	(	PUNCT
eurjchem-1765	119	48	table	table	NOUN
eurjchem-1765	119	49	3	3	NUM
eurjchem-1765	119	50	)	)	PUNCT
eurjchem-1765	119	51	.	.	PUNCT
eurjchem-1765	120	1	the	the	DET
eurjchem-1765	120	2	predictive	predictive	ADJ
eurjchem-1765	120	3	ability	ability	NOUN
eurjchem-1765	120	4	of	of	ADP
eurjchem-1765	120	5	qsar	qsar	NOUN
eurjchem-1765	120	6	model	model	NOUN
eurjchem-1765	120	7	was	be	AUX
eurjchem-1765	120	8	validated	validate	VERB
eurjchem-1765	120	9	through	through	AUX
eurjchem-1765	120	10	leave	leave	VERB
eurjchem-1765	120	11	one	one	NUM
eurjchem-1765	120	12	out	out	ADP
eurjchem-1765	120	13	cross	cross	NOUN
eurjchem-1765	120	14	validation	validation	NOUN
eurjchem-1765	120	15	(	(	PUNCT
eurjchem-1765	120	16	q2	q2	NOUN
eurjchem-1765	120	17	=	=	SYM
eurjchem-1765	120	18	0.7621	0.7621	NUM
eurjchem-1765	120	19	)	)	PUNCT
eurjchem-1765	120	20	and	and	CCONJ
eurjchem-1765	120	21	external	external	ADJ
eurjchem-1765	120	22	validation	validation	NOUN
eurjchem-1765	120	23	methods	method	NOUN
eurjchem-1765	120	24	.	.	PUNCT
eurjchem-1765	121	1	figures	figure	NOUN
eurjchem-1765	121	2	1	1	NUM
eurjchem-1765	121	3	,	,	PUNCT
eurjchem-1765	121	4	2	2	NUM
eurjchem-1765	121	5	and	and	CCONJ
eurjchem-1765	121	6	3	3	NUM
eurjchem-1765	121	7	show	show	VERB
eurjchem-1765	121	8	the	the	DET
eurjchem-1765	121	9	corresponding	correspond	VERB
eurjchem-1765	121	10	scatter	scatter	NOUN
eurjchem-1765	121	11	plots	plot	NOUN
eurjchem-1765	121	12	of	of	ADP
eurjchem-1765	121	13	the	the	DET
eurjchem-1765	121	14	observed	observe	VERB
eurjchem-1765	121	15	versus	versus	ADP
eurjchem-1765	121	16	predicted	predict	VERB
eurjchem-1765	121	17	pc	pc	NOUN
eurjchem-1765	121	18	values	value	NOUN
eurjchem-1765	121	19	for	for	ADP
eurjchem-1765	121	20	the	the	DET
eurjchem-1765	121	21	training	training	NOUN
eurjchem-1765	121	22	set	set	NOUN
eurjchem-1765	121	23	,	,	PUNCT
eurjchem-1765	121	24	cross	cross	VERB
eurjchem-1765	121	25	validation	validation	NOUN
eurjchem-1765	121	26	and	and	CCONJ
eurjchem-1765	121	27	test	test	NOUN
eurjchem-1765	121	28	set	set	VERB
eurjchem-1765	121	29	compounds	compound	NOUN
eurjchem-1765	121	30	against	against	ADP
eurjchem-1765	121	31	breast	breast	NOUN
eurjchem-1765	121	32	cancer	cancer	NOUN
eurjchem-1765	121	33	cell	cell	NOUN
eurjchem-1765	121	34	line	line	NOUN
eurjchem-1765	121	35	,	,	PUNCT
eurjchem-1765	121	36	respectively	respectively	ADV
eurjchem-1765	121	37	.	.	PUNCT
eurjchem-1765	122	1	2018	2018	NUM
eurjchem-1765	122	2	–	–	PUNCT
eurjchem-1765	122	3	european	european	ADJ
eurjchem-1765	122	4	journal	journal	NOUN
eurjchem-1765	122	5	of	of	ADP
eurjchem-1765	122	6	chemistry	chemistry	NOUN
eurjchem-1765	122	7	–	–	PUNCT
eurjchem-1765	122	8	cc	cc	NOUN
eurjchem-1765	122	9	by	by	ADP
eurjchem-1765	122	10	nc	nc	PROPN
eurjchem-1765	122	11	–	–	PUNCT
eurjchem-1765	122	12	doi	doi	PROPN
eurjchem-1765	122	13	:	:	PUNCT
eurjchem-1765	122	14	10.5155	10.5155	NUM
eurjchem-1765	122	15	/	/	SYM
eurjchem-1765	122	16	eurjchem.9.3.275	eurjchem.9.3.275	PROPN
eurjchem-1765	122	17	-	-	PUNCT
eurjchem-1765	122	18	280.1765	280.1765	PROPN
eurjchem-1765	122	19	almahdi	almahdi	NOUN
eurjchem-1765	122	20	et	et	PROPN
eurjchem-1765	122	21	al	al	PROPN
eurjchem-1765	122	22	.	.	PUNCT
eurjchem-1765	122	23	/	/	SYM
eurjchem-1765	122	24	european	european	PROPN
eurjchem-1765	122	25	journal	journal	PROPN
eurjchem-1765	122	26	of	of	ADP
eurjchem-1765	122	27	chemistry	chemistry	NOUN
eurjchem-1765	122	28	9	9	NUM
eurjchem-1765	122	29	(	(	PUNCT
eurjchem-1765	122	30	3	3	NUM
eurjchem-1765	122	31	)	)	PUNCT
eurjchem-1765	122	32	(	(	PUNCT
eurjchem-1765	122	33	2018	2018	NUM
eurjchem-1765	122	34	)	)	PUNCT
eurjchem-1765	122	35	275	275	NUM
eurjchem-1765	122	36	-	-	SYM
eurjchem-1765	122	37	280	280	NUM
eurjchem-1765	122	38	279	279	NUM
eurjchem-1765	122	39	y	y	NOUN
eurjchem-1765	122	40	=	=	SYM
eurjchem-1765	122	41	0.0744x	0.0744x	PROPN
eurjchem-1765	123	1	+	+	NUM
eurjchem-1765	123	2	4.3113	4.3113	NUM
eurjchem-1765	123	3	r=	r=	ADJ
eurjchem-1765	123	4	0.9711	0.9711	NUM
eurjchem-1765	123	5	,	,	PUNCT
eurjchem-1765	123	6	r²	r²	NOUN
eurjchem-1765	123	7	=	=	NOUN
eurjchem-1765	123	8	0.943	0.943	NUM
eurjchem-1765	123	9	4.66	4.66	NUM
eurjchem-1765	123	10	4.67	4.67	NUM
eurjchem-1765	123	11	4.68	4.68	NUM
eurjchem-1765	123	12	4.69	4.69	NUM
eurjchem-1765	123	13	4.70	4.70	NUM
eurjchem-1765	123	14	4.7	4.7	NUM
eurjchem-1765	123	15	4.8	4.8	NUM
eurjchem-1765	123	16	4.9	4.9	NUM
eurjchem-1765	123	17	5.0	5.0	NUM
eurjchem-1765	123	18	5.1	5.1	NUM
eurjchem-1765	123	19	5.2	5.2	NUM
eurjchem-1765	123	20	pr	pr	NOUN
eurjchem-1765	123	21	ed	ed	NOUN
eurjchem-1765	123	22	ic	ic	PROPN
eurjchem-1765	123	23	te	te	PROPN
eurjchem-1765	123	24	d	d	PROPN
eurjchem-1765	123	25	pc	pc	NOUN
eurjchem-1765	123	26	observed	observe	VERB
eurjchem-1765	123	27	pc	pc	NOUN
eurjchem-1765	123	28	figure	figure	NOUN
eurjchem-1765	123	29	3	3	NUM
eurjchem-1765	123	30	.	.	PUNCT
eurjchem-1765	123	31	predicted	predict	VERB
eurjchem-1765	123	32	versus	versus	ADP
eurjchem-1765	123	33	observed	observed	ADJ
eurjchem-1765	123	34	pc	pc	NOUN
eurjchem-1765	123	35	values	value	NOUN
eurjchem-1765	123	36	of	of	ADP
eurjchem-1765	123	37	test	test	NOUN
eurjchem-1765	123	38	set	set	VERB
eurjchem-1765	123	39	against	against	ADP
eurjchem-1765	123	40	human	human	ADJ
eurjchem-1765	123	41	breast	breast	NOUN
eurjchem-1765	123	42	cancer	cancer	NOUN
eurjchem-1765	123	43	mcf-7	mcf-7	PUNCT
eurjchem-1765	123	44	.	.	PUNCT
eurjchem-1765	124	1	figure	figure	NOUN
eurjchem-1765	124	2	4	4	NUM
eurjchem-1765	124	3	.	.	PUNCT
eurjchem-1765	124	4	2d	2d	NUM
eurjchem-1765	124	5	molecular	molecular	ADJ
eurjchem-1765	124	6	docking	docking	NOUN
eurjchem-1765	124	7	model	model	NOUN
eurjchem-1765	124	8	of	of	ADP
eurjchem-1765	124	9	compound	compound	NOUN
eurjchem-1765	124	10	a6	a6	NOUN
eurjchem-1765	124	11	with	with	ADP
eurjchem-1765	124	12	3dkc	3dkc	NUM
eurjchem-1765	124	13	.	.	PUNCT
eurjchem-1765	125	1	tables	table	NOUN
eurjchem-1765	125	2	4	4	NUM
eurjchem-1765	125	3	and	and	CCONJ
eurjchem-1765	125	4	5	5	NUM
eurjchem-1765	125	5	summarize	summarize	VERB
eurjchem-1765	125	6	the	the	DET
eurjchem-1765	125	7	predicted	predict	VERB
eurjchem-1765	125	8	pc	pc	NOUN
eurjchem-1765	125	9	values	value	NOUN
eurjchem-1765	125	10	of	of	ADP
eurjchem-1765	125	11	the	the	DET
eurjchem-1765	125	12	training	training	NOUN
eurjchem-1765	125	13	set	set	NOUN
eurjchem-1765	125	14	(	(	PUNCT
eurjchem-1765	125	15	r2=	r2=	PROPN
eurjchem-1765	125	16	0.8468	0.8468	NUM
eurjchem-1765	125	17	)	)	PUNCT
eurjchem-1765	125	18	and	and	CCONJ
eurjchem-1765	125	19	test	test	NOUN
eurjchem-1765	125	20	set	set	VERB
eurjchem-1765	125	21	(	(	PUNCT
eurjchem-1765	125	22	r2	r2	PROPN
eurjchem-1765	125	23	=	=	SYM
eurjchem-1765	125	24	0.9430	0.9430	NUM
eurjchem-1765	125	25	)	)	PUNCT
eurjchem-1765	125	26	.	.	PUNCT
eurjchem-1765	126	1	qsar	qsar	PROPN
eurjchem-1765	126	2	model	model	PROPN
eurjchem-1765	126	3	obtained	obtain	VERB
eurjchem-1765	126	4	was	be	AUX
eurjchem-1765	126	5	used	use	VERB
eurjchem-1765	126	6	to	to	PART
eurjchem-1765	126	7	predict	predict	VERB
eurjchem-1765	126	8	the	the	DET
eurjchem-1765	126	9	biological	biological	ADJ
eurjchem-1765	126	10	activity	activity	NOUN
eurjchem-1765	126	11	of	of	ADP
eurjchem-1765	126	12	a	a	DET
eurjchem-1765	126	13	set	set	NOUN
eurjchem-1765	126	14	of	of	ADP
eurjchem-1765	126	15	designed	design	VERB
eurjchem-1765	126	16	α	α	PROPN
eurjchem-1765	126	17	-	-	PUNCT
eurjchem-1765	126	18	β	β	NOUN
eurjchem-1765	126	19	unsaturated	unsaturated	ADJ
eurjchem-1765	126	20	carbonyl	carbonyl	NOUN
eurjchem-1765	126	21	compounds	compound	NOUN
eurjchem-1765	126	22	(	(	PUNCT
eurjchem-1765	126	23	a1	a1	NOUN
eurjchem-1765	126	24	-	-	PUNCT
eurjchem-1765	126	25	16	16	NUM
eurjchem-1765	126	26	)	)	PUNCT
eurjchem-1765	126	27	against	against	ADP
eurjchem-1765	126	28	human	human	ADJ
eurjchem-1765	126	29	breast	breast	NOUN
eurjchem-1765	126	30	cancer	cancer	NOUN
eurjchem-1765	126	31	(	(	PUNCT
eurjchem-1765	126	32	mcf-7	mcf-7	NOUN
eurjchem-1765	126	33	)	)	PUNCT
eurjchem-1765	126	34	table	table	NOUN
eurjchem-1765	126	35	6	6	NUM
eurjchem-1765	126	36	.	.	PUNCT
eurjchem-1765	127	1	it	it	PRON
eurjchem-1765	127	2	is	be	AUX
eurjchem-1765	127	3	noteworthy	noteworthy	ADJ
eurjchem-1765	127	4	that	that	SCONJ
eurjchem-1765	127	5	model	model	NOUN
eurjchem-1765	127	6	equation	equation	NOUN
eurjchem-1765	127	7	was	be	AUX
eurjchem-1765	127	8	derived	derive	VERB
eurjchem-1765	127	9	using	use	VERB
eurjchem-1765	127	10	the	the	DET
eurjchem-1765	127	11	entire	entire	ADJ
eurjchem-1765	127	12	data	datum	NOUN
eurjchem-1765	127	13	set	set	VERB
eurjchem-1765	127	14	of	of	ADP
eurjchem-1765	127	15	compounds	compound	NOUN
eurjchem-1765	127	16	(	(	PUNCT
eurjchem-1765	127	17	n	n	NOUN
eurjchem-1765	127	18	=	=	NUM
eurjchem-1765	127	19	15	15	NUM
eurjchem-1765	127	20	)	)	PUNCT
eurjchem-1765	127	21	and	and	CCONJ
eurjchem-1765	127	22	no	no	DET
eurjchem-1765	127	23	outliers	outlier	NOUN
eurjchem-1765	127	24	were	be	AUX
eurjchem-1765	127	25	identified	identify	VERB
eurjchem-1765	127	26	.	.	PUNCT
eurjchem-1765	128	1	figure	figure	NOUN
eurjchem-1765	128	2	5	5	NUM
eurjchem-1765	128	3	.	.	PUNCT
eurjchem-1765	128	4	3d	3d	NUM
eurjchem-1765	128	5	model	model	NOUN
eurjchem-1765	128	6	of	of	ADP
eurjchem-1765	128	7	the	the	DET
eurjchem-1765	128	8	interaction	interaction	NOUN
eurjchem-1765	128	9	between	between	ADP
eurjchem-1765	128	10	compound	compound	NOUN
eurjchem-1765	128	11	a6	a6	NOUN
eurjchem-1765	128	12	and	and	CCONJ
eurjchem-1765	128	13	3dkc	3dkc	NUM
eurjchem-1765	128	14	binding	bind	VERB
eurjchem-1765	128	15	site	site	NOUN
eurjchem-1765	128	16	.	.	PUNCT
eurjchem-1765	129	1	3.2	3.2	NUM
eurjchem-1765	129	2	.	.	PUNCT
eurjchem-1765	130	1	docking	docking	NOUN
eurjchem-1765	130	2	study	study	VERB
eurjchem-1765	130	3	a	a	DET
eurjchem-1765	130	4	number	number	NOUN
eurjchem-1765	130	5	of	of	ADP
eurjchem-1765	130	6	human	human	ADJ
eurjchem-1765	130	7	malignancies	malignancy	NOUN
eurjchem-1765	130	8	exhibit	exhibit	VERB
eurjchem-1765	130	9	sustained	sustained	ADJ
eurjchem-1765	130	10	stimulation	stimulation	NOUN
eurjchem-1765	130	11	,	,	PUNCT
eurjchem-1765	130	12	mutation	mutation	NOUN
eurjchem-1765	130	13	or	or	CCONJ
eurjchem-1765	130	14	gene	gene	NOUN
eurjchem-1765	130	15	amplification	amplification	NOUN
eurjchem-1765	130	16	of	of	ADP
eurjchem-1765	130	17	the	the	DET
eurjchem-1765	130	18	receptor	receptor	NOUN
eurjchem-1765	130	19	tyrosine	tyrosine	NOUN
eurjchem-1765	130	20	kinase	kinase	PROPN
eurjchem-1765	130	21	human	human	ADJ
eurjchem-1765	130	22	mesenchymal	mesenchymal	ADJ
eurjchem-1765	130	23	-	-	ADJ
eurjchem-1765	130	24	epithelial	epithelial	ADJ
eurjchem-1765	130	25	transition	transition	NOUN
eurjchem-1765	130	26	factor	factor	NOUN
eurjchem-1765	130	27	(	(	PUNCT
eurjchem-1765	130	28	c	c	X
eurjchem-1765	130	29	-	-	PUNCT
eurjchem-1765	130	30	met	meet	VERB
eurjchem-1765	130	31	)	)	PUNCT
eurjchem-1765	131	1	[	[	X
eurjchem-1765	131	2	13	13	NUM
eurjchem-1765	131	3	]	]	PUNCT
eurjchem-1765	131	4	.	.	PUNCT
eurjchem-1765	132	1	the	the	DET
eurjchem-1765	132	2	overexpression	overexpression	NOUN
eurjchem-1765	132	3	and	and	CCONJ
eurjchem-1765	132	4	mutations	mutation	NOUN
eurjchem-1765	132	5	of	of	ADP
eurjchem-1765	132	6	cmet	cmet	NOUN
eurjchem-1765	132	7	and	and	CCONJ
eurjchem-1765	132	8	its	its	PRON
eurjchem-1765	132	9	natural	natural	ADJ
eurjchem-1765	132	10	ligand	ligand	NOUN
eurjchem-1765	132	11	,	,	PUNCT
eurjchem-1765	132	12	hepatocyte	hepatocyte	NOUN
eurjchem-1765	132	13	growth	growth	NOUN
eurjchem-1765	132	14	factor	factor	NOUN
eurjchem-1765	132	15	(	(	PUNCT
eurjchem-1765	132	16	hgf	hgf	PROPN
eurjchem-1765	132	17	)	)	PUNCT
eurjchem-1765	132	18	,	,	PUNCT
eurjchem-1765	132	19	have	have	AUX
eurjchem-1765	132	20	been	be	AUX
eurjchem-1765	132	21	found	find	VERB
eurjchem-1765	132	22	in	in	ADP
eurjchem-1765	132	23	different	different	ADJ
eurjchem-1765	132	24	types	type	NOUN
eurjchem-1765	132	25	of	of	ADP
eurjchem-1765	132	26	tumors	tumor	NOUN
eurjchem-1765	132	27	including	include	VERB
eurjchem-1765	132	28	breast	breast	NOUN
eurjchem-1765	132	29	,	,	PUNCT
eurjchem-1765	132	30	ovarian	ovarian	ADJ
eurjchem-1765	132	31	,	,	PUNCT
eurjchem-1765	132	32	colorectal	colorectal	ADJ
eurjchem-1765	132	33	,	,	PUNCT
eurjchem-1765	132	34	lung	lung	NOUN
eurjchem-1765	132	35	,	,	PUNCT
eurjchem-1765	132	36	gastric	gastric	ADJ
eurjchem-1765	132	37	,	,	PUNCT
eurjchem-1765	132	38	pancreatic	pancreatic	ADJ
eurjchem-1765	132	39	,	,	PUNCT
eurjchem-1765	132	40	melanoma	melanoma	NOUN
eurjchem-1765	132	41	,	,	PUNCT
eurjchem-1765	132	42	prostate	prostate	NOUN
eurjchem-1765	132	43	,	,	PUNCT
eurjchem-1765	132	44	head	head	NOUN
eurjchem-1765	132	45	and	and	CCONJ
eurjchem-1765	132	46	neck	neck	NOUN
eurjchem-1765	132	47	,	,	PUNCT
eurjchem-1765	132	48	glioma	glioma	NOUN
eurjchem-1765	132	49	,	,	PUNCT
eurjchem-1765	132	50	hepatocellular	hepatocellular	NOUN
eurjchem-1765	132	51	,	,	PUNCT
eurjchem-1765	132	52	renal	renal	ADJ
eurjchem-1765	132	53	and	and	CCONJ
eurjchem-1765	132	54	a	a	DET
eurjchem-1765	132	55	number	number	NOUN
eurjchem-1765	132	56	of	of	ADP
eurjchem-1765	132	57	sarcomas	sarcomas	NOUN
eurjchem-1765	132	58	.	.	PUNCT
eurjchem-1765	133	1	the	the	DET
eurjchem-1765	133	2	3dkc	3dkc	PROPN
eurjchem-1765	133	3	is	be	AUX
eurjchem-1765	133	4	the	the	DET
eurjchem-1765	133	5	crystal	crystal	NOUN
eurjchem-1765	133	6	structure	structure	NOUN
eurjchem-1765	133	7	of	of	ADP
eurjchem-1765	133	8	c	c	NOUN
eurjchem-1765	133	9	-	-	PUNCT
eurjchem-1765	133	10	met	meet	VERB
eurjchem-1765	133	11	kinase	kinase	NOUN
eurjchem-1765	133	12	in	in	ADP
eurjchem-1765	133	13	complex	complex	NOUN
eurjchem-1765	133	14	with	with	ADP
eurjchem-1765	133	15	atp	atp	PROPN
eurjchem-1765	133	16	which	which	PRON
eurjchem-1765	133	17	is	be	AUX
eurjchem-1765	133	18	widely	widely	ADV
eurjchem-1765	133	19	used	use	VERB
eurjchem-1765	133	20	[	[	PUNCT
eurjchem-1765	133	21	14	14	NUM
eurjchem-1765	133	22	]	]	PUNCT
eurjchem-1765	133	23	.	.	PUNCT
eurjchem-1765	134	1	performed	perform	VERB
eurjchem-1765	134	2	molecular	molecular	ADJ
eurjchem-1765	134	3	docking	docking	NOUN
eurjchem-1765	134	4	for	for	ADP
eurjchem-1765	134	5	all	all	DET
eurjchem-1765	134	6	designed	design	VERB
eurjchem-1765	134	7	α	α	X
eurjchem-1765	134	8	,	,	PUNCT
eurjchem-1765	134	9	βunsaturated	βunsaturate	VERB
eurjchem-1765	134	10	carbonyl	carbonyl	NOUN
eurjchem-1765	134	11	compounds	compound	NOUN
eurjchem-1765	134	12	(	(	PUNCT
eurjchem-1765	134	13	a1	a1	NOUN
eurjchem-1765	134	14	-	-	PUNCT
eurjchem-1765	134	15	16	16	NUM
eurjchem-1765	134	16	)	)	PUNCT
eurjchem-1765	134	17	on	on	ADP
eurjchem-1765	134	18	the	the	DET
eurjchem-1765	134	19	active	active	ADJ
eurjchem-1765	134	20	site	site	NOUN
eurjchem-1765	134	21	of	of	ADP
eurjchem-1765	134	22	3dkc	3dkc	NUM
eurjchem-1765	134	23	may	may	AUX
eurjchem-1765	134	24	provide	provide	VERB
eurjchem-1765	134	25	an	an	DET
eurjchem-1765	134	26	understanding	understanding	NOUN
eurjchem-1765	134	27	of	of	ADP
eurjchem-1765	134	28	their	their	PRON
eurjchem-1765	134	29	effect	effect	NOUN
eurjchem-1765	134	30	as	as	ADP
eurjchem-1765	134	31	antitumor	antitumor	PROPN
eurjchem-1765	134	32	agents	agent	NOUN
eurjchem-1765	134	33	.	.	PUNCT
eurjchem-1765	135	1	all	all	DET
eurjchem-1765	135	2	docking	docking	NOUN
eurjchem-1765	135	3	procedures	procedure	NOUN
eurjchem-1765	135	4	were	be	AUX
eurjchem-1765	135	5	achieved	achieve	VERB
eurjchem-1765	135	6	by	by	ADP
eurjchem-1765	135	7	moe	moe	NOUN
eurjchem-1765	135	8	(	(	PUNCT
eurjchem-1765	135	9	molecular	molecular	ADJ
eurjchem-1765	135	10	operating	operating	NOUN
eurjchem-1765	135	11	environment	environment	NOUN
eurjchem-1765	135	12	)	)	PUNCT
eurjchem-1765	135	13	software	software	NOUN
eurjchem-1765	135	14	2010.10	2010.10	NUM
eurjchem-1765	135	15	.	.	PUNCT
eurjchem-1765	136	1	molecular	molecular	ADJ
eurjchem-1765	136	2	docking	docking	NOUN
eurjchem-1765	136	3	suggested	suggest	VERB
eurjchem-1765	136	4	that	that	SCONJ
eurjchem-1765	136	5	all	all	PRON
eurjchem-1765	136	6	of	of	ADP
eurjchem-1765	136	7	the	the	DET
eurjchem-1765	136	8	designed	design	VERB
eurjchem-1765	136	9	α	α	PROPN
eurjchem-1765	136	10	,	,	PUNCT
eurjchem-1765	136	11	βunsaturated	βunsaturate	VERB
eurjchem-1765	136	12	carbonyl	carbonyl	NOUN
eurjchem-1765	136	13	compounds	compound	NOUN
eurjchem-1765	136	14	(	(	PUNCT
eurjchem-1765	136	15	a1	a1	NOUN
eurjchem-1765	136	16	-	-	PUNCT
eurjchem-1765	136	17	16	16	NUM
eurjchem-1765	136	18	)	)	PUNCT
eurjchem-1765	136	19	were	be	AUX
eurjchem-1765	136	20	capable	capable	ADJ
eurjchem-1765	136	21	of	of	ADP
eurjchem-1765	136	22	forming	form	VERB
eurjchem-1765	136	23	a	a	DET
eurjchem-1765	136	24	metal	metal	NOUN
eurjchem-1765	136	25	complex	complex	NOUN
eurjchem-1765	136	26	with	with	ADP
eurjchem-1765	136	27	the	the	DET
eurjchem-1765	136	28	mg	mg	PROPN
eurjchem-1765	136	29	ion	ion	NOUN
eurjchem-1765	136	30	through	through	ADP
eurjchem-1765	136	31	asp1222	asp1222	NOUN
eurjchem-1765	136	32	(	(	PUNCT
eurjchem-1765	136	33	bond	bond	NOUN
eurjchem-1765	136	34	length	length	NOUN
eurjchem-1765	136	35	2.10	2.10	NUM
eurjchem-1765	136	36	å	å	NOUN
eurjchem-1765	136	37	)	)	PUNCT
eurjchem-1765	136	38	and	and	CCONJ
eurjchem-1765	136	39	asn1209	asn1209	NOUN
eurjchem-1765	136	40	(	(	PUNCT
eurjchem-1765	136	41	bond	bond	NOUN
eurjchem-1765	136	42	length	length	NOUN
eurjchem-1765	136	43	2.03	2.03	NUM
eurjchem-1765	136	44	å	å	NOUN
eurjchem-1765	136	45	)	)	PUNCT
eurjchem-1765	136	46	.	.	PUNCT
eurjchem-1765	137	1	compound	compound	NOUN
eurjchem-1765	137	2	a6	a6	PROPN
eurjchem-1765	137	3	showed	show	VERB
eurjchem-1765	137	4	three	three	NUM
eurjchem-1765	137	5	interactions	interaction	NOUN
eurjchem-1765	137	6	,	,	PUNCT
eurjchem-1765	137	7	beside	beside	ADP
eurjchem-1765	137	8	two	two	NUM
eurjchem-1765	137	9	interactions	interaction	NOUN
eurjchem-1765	137	10	mentioned	mention	VERB
eurjchem-1765	137	11	above	above	ADV
eurjchem-1765	137	12	,	,	PUNCT
eurjchem-1765	137	13	one	one	NUM
eurjchem-1765	137	14	π	π	NOUN
eurjchem-1765	137	15	-	-	PUNCT
eurjchem-1765	137	16	cation	cation	NOUN
eurjchem-1765	137	17	interaction	interaction	NOUN
eurjchem-1765	137	18	was	be	AUX
eurjchem-1765	137	19	revealed	reveal	VERB
eurjchem-1765	137	20	between	between	ADP
eurjchem-1765	137	21	arg1208	arg1208	ADJ
eurjchem-1765	137	22	residue	residue	NOUN
eurjchem-1765	137	23	with	with	ADP
eurjchem-1765	137	24	phenyl	phenyl	NOUN
eurjchem-1765	137	25	ring	ring	NOUN
eurjchem-1765	137	26	of	of	ADP
eurjchem-1765	137	27	4bromo	4bromo	NUM
eurjchem-1765	137	28	benzoyl	benzoyl	ADJ
eurjchem-1765	137	29	moiety	moiety	NOUN
eurjchem-1765	137	30	figures	figure	NOUN
eurjchem-1765	137	31	4	4	NUM
eurjchem-1765	137	32	and	and	CCONJ
eurjchem-1765	137	33	5	5	NUM
eurjchem-1765	137	34	.	.	X
eurjchem-1765	137	35	docking	dock	VERB
eurjchem-1765	137	36	score	score	NOUN
eurjchem-1765	137	37	of	of	ADP
eurjchem-1765	137	38	designed	design	VERB
eurjchem-1765	137	39	derivatives	derivative	NOUN
eurjchem-1765	137	40	a1	a1	VERB
eurjchem-1765	137	41	-	-	SYM
eurjchem-1765	137	42	16	16	NUM
eurjchem-1765	137	43	ranging	range	VERB
eurjchem-1765	137	44	between	between	ADP
eurjchem-1765	137	45	-22.9170	-22.9170	PUNCT
eurjchem-1765	137	46	to	to	ADP
eurjchem-1765	137	47	-16.1714	-16.1714	PUNCT
eurjchem-1765	137	48	kcal	kcal	PROPN
eurjchem-1765	137	49	/	/	SYM
eurjchem-1765	137	50	mol	mol	PROPN
eurjchem-1765	137	51	.	.	PUNCT
eurjchem-1765	138	1	the	the	DET
eurjchem-1765	138	2	energy	energy	NOUN
eurjchem-1765	138	3	score	score	NOUN
eurjchem-1765	138	4	(	(	PUNCT
eurjchem-1765	138	5	s	s	NOUN
eurjchem-1765	138	6	)	)	PUNCT
eurjchem-1765	138	7	of	of	ADP
eurjchem-1765	138	8	the	the	DET
eurjchem-1765	138	9	complexes	complex	NOUN
eurjchem-1765	138	10	between	between	ADP
eurjchem-1765	138	11	each	each	DET
eurjchem-1765	138	12	designed	design	VERB
eurjchem-1765	138	13	compounds	compound	NOUN
eurjchem-1765	138	14	(	(	PUNCT
eurjchem-1765	138	15	a1	a1	NOUN
eurjchem-1765	138	16	-	-	PUNCT
eurjchem-1765	138	17	16	16	NUM
eurjchem-1765	138	18	)	)	PUNCT
eurjchem-1765	138	19	and	and	CCONJ
eurjchem-1765	138	20	the	the	DET
eurjchem-1765	138	21	active	active	ADJ
eurjchem-1765	138	22	site	site	NOUN
eurjchem-1765	138	23	of	of	ADP
eurjchem-1765	138	24	the	the	DET
eurjchem-1765	138	25	receptor	receptor	NOUN
eurjchem-1765	138	26	as	as	ADV
eurjchem-1765	138	27	well	well	ADV
eurjchem-1765	138	28	as	as	ADP
eurjchem-1765	138	29	amino	amino	NOUN
eurjchem-1765	138	30	acid	acid	NOUN
eurjchem-1765	138	31	interacted	interact	VERB
eurjchem-1765	138	32	are	be	AUX
eurjchem-1765	138	33	listed	list	VERB
eurjchem-1765	138	34	in	in	ADP
eurjchem-1765	138	35	table	table	NOUN
eurjchem-1765	138	36	7	7	NUM
eurjchem-1765	138	37	.	.	NOUN
eurjchem-1765	138	38	4	4	NUM
eurjchem-1765	138	39	.	.	X
eurjchem-1765	138	40	conclusion	conclusion	NOUN
eurjchem-1765	138	41	from	from	ADP
eurjchem-1765	138	42	the	the	DET
eurjchem-1765	138	43	qsar	qsar	NOUN
eurjchem-1765	138	44	studies	study	NOUN
eurjchem-1765	138	45	,	,	PUNCT
eurjchem-1765	138	46	it	it	PRON
eurjchem-1765	138	47	was	be	AUX
eurjchem-1765	138	48	noticed	notice	VERB
eurjchem-1765	138	49	that	that	SCONJ
eurjchem-1765	138	50	the	the	DET
eurjchem-1765	138	51	pc	pc	NOUN
eurjchem-1765	138	52	values	value	NOUN
eurjchem-1765	138	53	has	have	AUX
eurjchem-1765	138	54	been	be	AUX
eurjchem-1765	138	55	increase	increase	NOUN
eurjchem-1765	138	56	in	in	ADP
eurjchem-1765	138	57	compounds	compound	NOUN
eurjchem-1765	138	58	a4	a4	NOUN
eurjchem-1765	138	59	-	-	NOUN
eurjchem-1765	138	60	a8	a8	NOUN
eurjchem-1765	138	61	which	which	PRON
eurjchem-1765	138	62	contain	contain	VERB
eurjchem-1765	138	63	–	–	PUNCT
eurjchem-1765	138	64	br	br	NOUN
eurjchem-1765	138	65	group	group	NOUN
eurjchem-1765	138	66	,	,	PUNCT
eurjchem-1765	138	67	compared	compare	VERB
eurjchem-1765	138	68	to	to	ADP
eurjchem-1765	138	69	the	the	DET
eurjchem-1765	138	70	corresponding	corresponding	ADJ
eurjchem-1765	138	71	non	non	ADJ
eurjchem-1765	138	72	-	-	ADJ
eurjchem-1765	138	73	brominated	brominated	ADJ
eurjchem-1765	138	74	compounds	compound	NOUN
eurjchem-1765	138	75	.	.	PUNCT
eurjchem-1765	139	1	compounds	compound	VERB
eurjchem-1765	139	2	a9	a9	NOUN
eurjchem-1765	139	3	-	-	PUNCT
eurjchem-1765	139	4	a13	a13	NOUN
eurjchem-1765	139	5	which	which	PRON
eurjchem-1765	139	6	contain	contain	VERB
eurjchem-1765	139	7	–	–	PUNCT
eurjchem-1765	139	8	no2	no2	NOUN
eurjchem-1765	139	9	group	group	NOUN
eurjchem-1765	139	10	showed	show	VERB
eurjchem-1765	139	11	low	low	ADJ
eurjchem-1765	139	12	pc	pc	NOUN
eurjchem-1765	139	13	values	value	NOUN
eurjchem-1765	139	14	which	which	PRON
eurjchem-1765	139	15	indicate	indicate	VERB
eurjchem-1765	139	16	less	less	ADJ
eurjchem-1765	139	17	activity	activity	NOUN
eurjchem-1765	139	18	toward	toward	ADP
eurjchem-1765	139	19	human	human	ADJ
eurjchem-1765	139	20	breast	breast	NOUN
eurjchem-1765	139	21	cancer	cancer	NOUN
eurjchem-1765	139	22	cell	cell	NOUN
eurjchem-1765	139	23	line	line	NOUN
eurjchem-1765	139	24	mcf-7	mcf-7	PUNCT
eurjchem-1765	139	25	.	.	PUNCT
eurjchem-1765	140	1	the	the	DET
eurjchem-1765	140	2	molecular	molecular	ADJ
eurjchem-1765	140	3	docking	docking	NOUN
eurjchem-1765	140	4	study	study	NOUN
eurjchem-1765	140	5	of	of	ADP
eurjchem-1765	140	6	a1	a1	PROPN
eurjchem-1765	140	7	-	-	PUNCT
eurjchem-1765	140	8	a16	a16	NOUN
eurjchem-1765	140	9	compounds	compound	NOUN
eurjchem-1765	140	10	has	have	AUX
eurjchem-1765	140	11	been	be	AUX
eurjchem-1765	140	12	done	do	VERB
eurjchem-1765	140	13	for	for	ADP
eurjchem-1765	140	14	the	the	DET
eurjchem-1765	140	15	better	well	ADJ
eurjchem-1765	140	16	understanding	understanding	NOUN
eurjchem-1765	140	17	of	of	ADP
eurjchem-1765	140	18	the	the	DET
eurjchem-1765	140	19	ligand	ligand	ADJ
eurjchem-1765	140	20	-	-	PUNCT
eurjchem-1765	140	21	receptor	receptor	NOUN
eurjchem-1765	140	22	interaction	interaction	NOUN
eurjchem-1765	140	23	and	and	CCONJ
eurjchem-1765	140	24	the	the	DET
eurjchem-1765	140	25	results	result	NOUN
eurjchem-1765	140	26	confirmed	confirm	VERB
eurjchem-1765	140	27	that	that	SCONJ
eurjchem-1765	140	28	these	these	DET
eurjchem-1765	140	29	compounds	compound	NOUN
eurjchem-1765	140	30	were	be	AUX
eurjchem-1765	140	31	a	a	DET
eurjchem-1765	140	32	potential	potential	ADJ
eurjchem-1765	140	33	inhibitor	inhibitor	NOUN
eurjchem-1765	140	34	of	of	ADP
eurjchem-1765	140	35	c	c	NOUN
eurjchem-1765	140	36	-	-	PUNCT
eurjchem-1765	140	37	met	meet	VERB
eurjchem-1765	140	38	kinase	kinase	NOUN
eurjchem-1765	140	39	.	.	PUNCT
eurjchem-1765	141	1	in	in	ADP
eurjchem-1765	141	2	the	the	DET
eurjchem-1765	141	3	view	view	NOUN
eurjchem-1765	141	4	of	of	ADP
eurjchem-1765	141	5	this	this	DET
eurjchem-1765	141	6	study	study	NOUN
eurjchem-1765	141	7	,	,	PUNCT
eurjchem-1765	141	8	further	further	ADJ
eurjchem-1765	141	9	research	research	NOUN
eurjchem-1765	141	10	can	can	AUX
eurjchem-1765	141	11	be	be	AUX
eurjchem-1765	141	12	carried	carry	VERB
eurjchem-1765	141	13	out	out	ADP
eurjchem-1765	141	14	on	on	ADP
eurjchem-1765	141	15	designed	design	VERB
eurjchem-1765	141	16	compounds	compound	NOUN
eurjchem-1765	141	17	(	(	PUNCT
eurjchem-1765	141	18	a4	a4	NOUN
eurjchem-1765	141	19	-	-	PUNCT
eurjchem-1765	141	20	a8	a8	NOUN
eurjchem-1765	141	21	)	)	PUNCT
eurjchem-1765	141	22	to	to	PART
eurjchem-1765	141	23	investigate	investigate	VERB
eurjchem-1765	141	24	there	there	ADV
eurjchem-1765	141	25	in	in	ADP
eurjchem-1765	141	26	vitro	vitro	X
eurjchem-1765	141	27	anticancer	anticancer	NOUN
eurjchem-1765	141	28	activity	activity	NOUN
eurjchem-1765	141	29	against	against	ADP
eurjchem-1765	141	30	breast	breast	NOUN
eurjchem-1765	141	31	cancer	cancer	NOUN
eurjchem-1765	141	32	.	.	PUNCT
eurjchem-1765	142	1	2018	2018	NUM
eurjchem-1765	142	2	–	–	PUNCT
eurjchem-1765	142	3	european	european	ADJ
eurjchem-1765	142	4	journal	journal	NOUN
eurjchem-1765	142	5	of	of	ADP
eurjchem-1765	142	6	chemistry	chemistry	NOUN
eurjchem-1765	142	7	–	–	PUNCT
eurjchem-1765	142	8	cc	cc	NOUN
eurjchem-1765	142	9	by	by	ADP
eurjchem-1765	142	10	nc	nc	PROPN
eurjchem-1765	142	11	–	–	PUNCT
eurjchem-1765	142	12	doi	doi	PROPN
eurjchem-1765	142	13	:	:	PUNCT
eurjchem-1765	142	14	10.5155	10.5155	NUM
eurjchem-1765	142	15	/	/	SYM
eurjchem-1765	142	16	eurjchem.9.3.275	eurjchem.9.3.275	PROPN
eurjchem-1765	142	17	-	-	PUNCT
eurjchem-1765	142	18	280.1765	280.1765	NUM
eurjchem-1765	142	19	280	280	NUM
eurjchem-1765	142	20	almahdi	almahdi	NOUN
eurjchem-1765	142	21	et	et	PROPN
eurjchem-1765	142	22	al	al	PROPN
eurjchem-1765	142	23	.	.	PUNCT
eurjchem-1765	142	24	/	/	SYM
eurjchem-1765	142	25	european	european	PROPN
eurjchem-1765	142	26	journal	journal	PROPN
eurjchem-1765	142	27	of	of	ADP
eurjchem-1765	142	28	chemistry	chemistry	NOUN
eurjchem-1765	142	29	9	9	NUM
eurjchem-1765	142	30	(	(	PUNCT
eurjchem-1765	142	31	3	3	NUM
eurjchem-1765	142	32	)	)	PUNCT
eurjchem-1765	142	33	(	(	PUNCT
eurjchem-1765	142	34	2018	2018	NUM
eurjchem-1765	142	35	)	)	PUNCT
eurjchem-1765	142	36	275	275	NUM
eurjchem-1765	142	37	-	-	SYM
eurjchem-1765	142	38	280	280	NUM
eurjchem-1765	142	39	table	table	NOUN
eurjchem-1765	142	40	7	7	NUM
eurjchem-1765	142	41	.	.	PUNCT
eurjchem-1765	143	1	binding	bind	VERB
eurjchem-1765	143	2	scores	score	NOUN
eurjchem-1765	143	3	and	and	CCONJ
eurjchem-1765	143	4	amino	amino	NOUN
eurjchem-1765	143	5	acid	acid	NOUN
eurjchem-1765	143	6	interactions	interaction	NOUN
eurjchem-1765	143	7	of	of	ADP
eurjchem-1765	143	8	the	the	DET
eurjchem-1765	143	9	docked	dock	VERB
eurjchem-1765	143	10	designed	design	VERB
eurjchem-1765	143	11	carbonyl	carbonyl	NOUN
eurjchem-1765	143	12	compounds	compound	NOUN
eurjchem-1765	143	13	(	(	PUNCT
eurjchem-1765	143	14	a1	a1	NOUN
eurjchem-1765	143	15	-	-	PUNCT
eurjchem-1765	143	16	16	16	NUM
eurjchem-1765	143	17	)	)	PUNCT
eurjchem-1765	143	18	on	on	ADP
eurjchem-1765	143	19	the	the	DET
eurjchem-1765	143	20	active	active	ADJ
eurjchem-1765	143	21	site	site	NOUN
eurjchem-1765	143	22	of	of	ADP
eurjchem-1765	143	23	3dkc	3dkc	NUM
eurjchem-1765	143	24	.	.	PUNCT
eurjchem-1765	144	1	i	i	PRON
eurjchem-1765	144	2	d	d	PROPN
eurjchem-1765	144	3	molecular	molecular	ADJ
eurjchem-1765	144	4	weight	weight	NOUN
eurjchem-1765	144	5	s	s	X
eurjchem-1765	144	6	(	(	PUNCT
eurjchem-1765	144	7	kcal	kcal	PROPN
eurjchem-1765	144	8	/	/	SYM
eurjchem-1765	144	9	mol	mol	NOUN
eurjchem-1765	144	10	)	)	PUNCT
eurjchem-1765	144	11	amino	amino	NOUN
eurjchem-1765	144	12	acid	acid	NOUN
eurjchem-1765	144	13	interaction	interaction	NOUN
eurjchem-1765	144	14	type	type	NOUN
eurjchem-1765	144	15	of	of	ADP
eurjchem-1765	144	16	interaction	interaction	NOUN
eurjchem-1765	144	17	length	length	NOUN
eurjchem-1765	144	18	(	(	PUNCT
eurjchem-1765	144	19	å	å	NOUN
eurjchem-1765	144	20	)	)	PUNCT
eurjchem-1765	144	21	a1	a1	NOUN
eurjchem-1765	144	22	242.70	242.70	NUM
eurjchem-1765	144	23	-21.356	-21.356	X
eurjchem-1765	144	24	asp1222	asp1222	NOUN
eurjchem-1765	144	25	asn1209	asn1209	NOUN
eurjchem-1765	144	26	metal	metal	NOUN
eurjchem-1765	144	27	complex	complex	NOUN
eurjchem-1765	144	28	(	(	PUNCT
eurjchem-1765	144	29	mg	mg	NOUN
eurjchem-1765	144	30	)	)	PUNCT
eurjchem-1765	144	31	metal	metal	NOUN
eurjchem-1765	144	32	complex	complex	NOUN
eurjchem-1765	144	33	(	(	PUNCT
eurjchem-1765	144	34	mg	mg	PROPN
eurjchem-1765	144	35	)	)	PUNCT
eurjchem-1765	144	36	2.10	2.10	NUM
eurjchem-1765	144	37	2.03	2.03	NUM
eurjchem-1765	144	38	a2	a2	PROPN
eurjchem-1765	144	39	234.29	234.29	NUM
eurjchem-1765	144	40	-21.1818	-21.1818	SYM
eurjchem-1765	144	41	asp1222	asp1222	NOUN
eurjchem-1765	144	42	asn1209	asn1209	NOUN
eurjchem-1765	144	43	metal	metal	NOUN
eurjchem-1765	144	44	complex	complex	NOUN
eurjchem-1765	144	45	(	(	PUNCT
eurjchem-1765	144	46	mg	mg	NOUN
eurjchem-1765	144	47	)	)	PUNCT
eurjchem-1765	144	48	metal	metal	NOUN
eurjchem-1765	144	49	complex	complex	NOUN
eurjchem-1765	144	50	(	(	PUNCT
eurjchem-1765	144	51	mg	mg	PROPN
eurjchem-1765	144	52	)	)	PUNCT
eurjchem-1765	144	53	2.10	2.10	NUM
eurjchem-1765	144	54	2.03	2.03	NUM
eurjchem-1765	144	55	a3	a3	NOUN
eurjchem-1765	144	56	198.21	198.21	NUM
eurjchem-1765	144	57	-16.1714	-16.1714	PUNCT
eurjchem-1765	144	58	asp1222	asp1222	NOUN
eurjchem-1765	144	59	asn1209	asn1209	NOUN
eurjchem-1765	144	60	metal	metal	NOUN
eurjchem-1765	144	61	complex	complex	NOUN
eurjchem-1765	144	62	(	(	PUNCT
eurjchem-1765	144	63	mg	mg	NOUN
eurjchem-1765	144	64	)	)	PUNCT
eurjchem-1765	144	65	metal	metal	NOUN
eurjchem-1765	144	66	complex	complex	NOUN
eurjchem-1765	144	67	(	(	PUNCT
eurjchem-1765	144	68	mg	mg	PROPN
eurjchem-1765	144	69	)	)	PUNCT
eurjchem-1765	144	70	2.10	2.10	NUM
eurjchem-1765	144	71	2.03	2.03	NUM
eurjchem-1765	144	72	a4	a4	NUM
eurjchem-1765	144	73	287.15	287.15	NUM
eurjchem-1765	144	74	-22.9170	-22.9170	NUM
eurjchem-1765	144	75	asp1222	asp1222	NOUN
eurjchem-1765	144	76	asn1209	asn1209	NOUN
eurjchem-1765	144	77	metal	metal	NOUN
eurjchem-1765	144	78	complex	complex	NOUN
eurjchem-1765	144	79	(	(	PUNCT
eurjchem-1765	144	80	mg	mg	NOUN
eurjchem-1765	144	81	)	)	PUNCT
eurjchem-1765	144	82	metal	metal	NOUN
eurjchem-1765	144	83	complex	complex	NOUN
eurjchem-1765	144	84	(	(	PUNCT
eurjchem-1765	144	85	mg	mg	PROPN
eurjchem-1765	144	86	)	)	PUNCT
eurjchem-1765	144	87	2.10	2.10	NUM
eurjchem-1765	144	88	2.03	2.03	NUM
eurjchem-1765	144	89	a5	a5	PROPN
eurjchem-1765	144	90	321.59	321.59	NUM
eurjchem-1765	144	91	-20.5912	-20.5912	PUNCT
eurjchem-1765	144	92	asp1222	asp1222	NOUN
eurjchem-1765	144	93	asn1209	asn1209	NOUN
eurjchem-1765	144	94	metal	metal	NOUN
eurjchem-1765	144	95	complex	complex	NOUN
eurjchem-1765	144	96	(	(	PUNCT
eurjchem-1765	144	97	mg	mg	NOUN
eurjchem-1765	144	98	)	)	PUNCT
eurjchem-1765	144	99	metal	metal	NOUN
eurjchem-1765	144	100	complex	complex	NOUN
eurjchem-1765	144	101	(	(	PUNCT
eurjchem-1765	144	102	mg	mg	PROPN
eurjchem-1765	144	103	)	)	PUNCT
eurjchem-1765	144	104	2.10	2.10	NUM
eurjchem-1765	144	105	2.03	2.03	NUM
eurjchem-1765	144	106	a6	a6	NOUN
eurjchem-1765	144	107	330.21	330.21	NUM
eurjchem-1765	144	108	-22.5738	-22.5738	SYM
eurjchem-1765	144	109	asp1222	asp1222	NOUN
eurjchem-1765	144	110	asn1209	asn1209	PROPN
eurjchem-1765	144	111	arg1208	arg1208	NOUN
eurjchem-1765	144	112	metal	metal	NOUN
eurjchem-1765	144	113	complex	complex	NOUN
eurjchem-1765	144	114	(	(	PUNCT
eurjchem-1765	144	115	mg	mg	NOUN
eurjchem-1765	144	116	)	)	PUNCT
eurjchem-1765	144	117	metal	metal	NOUN
eurjchem-1765	144	118	complex	complex	NOUN
eurjchem-1765	144	119	(	(	PUNCT
eurjchem-1765	144	120	mg	mg	X
eurjchem-1765	144	121	)	)	PUNCT
eurjchem-1765	144	122	π	π	NOUN
eurjchem-1765	144	123	-	-	PUNCT
eurjchem-1765	144	124	cation	cation	NOUN
eurjchem-1765	144	125	interaction	interaction	NOUN
eurjchem-1765	144	126	2.10	2.10	NUM
eurjchem-1765	144	127	2.03	2.03	NUM
eurjchem-1765	144	128	a7	a7	PROPN
eurjchem-1765	144	129	313.18	313.18	NUM
eurjchem-1765	144	130	-20.6469	-20.6469	PUNCT
eurjchem-1765	144	131	asp1222	asp1222	NOUN
eurjchem-1765	144	132	asn1209	asn1209	NOUN
eurjchem-1765	144	133	metal	metal	NOUN
eurjchem-1765	144	134	complex	complex	NOUN
eurjchem-1765	144	135	(	(	PUNCT
eurjchem-1765	144	136	mg	mg	NOUN
eurjchem-1765	144	137	)	)	PUNCT
eurjchem-1765	144	138	metal	metal	NOUN
eurjchem-1765	144	139	complex	complex	NOUN
eurjchem-1765	144	140	(	(	PUNCT
eurjchem-1765	144	141	mg	mg	PROPN
eurjchem-1765	144	142	)	)	PUNCT
eurjchem-1765	144	143	2.10	2.10	NUM
eurjchem-1765	144	144	2.03	2.03	NUM
eurjchem-1765	144	145	a8	a8	PROPN
eurjchem-1765	144	146	277.11	277.11	NUM
eurjchem-1765	144	147	-22.0121	-22.0121	PUNCT
eurjchem-1765	144	148	asp1222	asp1222	NOUN
eurjchem-1765	144	149	asn1209	asn1209	NOUN
eurjchem-1765	144	150	metal	metal	NOUN
eurjchem-1765	144	151	complex	complex	NOUN
eurjchem-1765	144	152	(	(	PUNCT
eurjchem-1765	144	153	mg	mg	NOUN
eurjchem-1765	144	154	)	)	PUNCT
eurjchem-1765	144	155	metal	metal	NOUN
eurjchem-1765	144	156	complex	complex	NOUN
eurjchem-1765	144	157	(	(	PUNCT
eurjchem-1765	144	158	mg	mg	PROPN
eurjchem-1765	144	159	)	)	PUNCT
eurjchem-1765	144	160	2.10	2.10	NUM
eurjchem-1765	144	161	2.03	2.03	NUM
eurjchem-1765	144	162	a9	a9	NOUN
eurjchem-1765	144	163	253.25	253.25	NUM
eurjchem-1765	144	164	-23.2468	-23.2468	SYM
eurjchem-1765	144	165	asp1222	asp1222	NOUN
eurjchem-1765	144	166	asn1209	asn1209	NOUN
eurjchem-1765	144	167	metal	metal	NOUN
eurjchem-1765	144	168	complex	complex	NOUN
eurjchem-1765	144	169	(	(	PUNCT
eurjchem-1765	144	170	mg	mg	NOUN
eurjchem-1765	144	171	)	)	PUNCT
eurjchem-1765	144	172	metal	metal	NOUN
eurjchem-1765	144	173	complex	complex	NOUN
eurjchem-1765	144	174	(	(	PUNCT
eurjchem-1765	144	175	mg	mg	PROPN
eurjchem-1765	144	176	)	)	PUNCT
eurjchem-1765	144	177	2.10	2.10	NUM
eurjchem-1765	144	178	2.03	2.03	NUM
eurjchem-1765	144	179	a10	a10	NUM
eurjchem-1765	144	180	287.69	287.69	NUM
eurjchem-1765	144	181	-20.7988	-20.7988	NUM
eurjchem-1765	144	182	asp1222	asp1222	NOUN
eurjchem-1765	144	183	asn1209	asn1209	NOUN
eurjchem-1765	144	184	metal	metal	NOUN
eurjchem-1765	144	185	complex	complex	NOUN
eurjchem-1765	144	186	(	(	PUNCT
eurjchem-1765	144	187	mg	mg	NOUN
eurjchem-1765	144	188	)	)	PUNCT
eurjchem-1765	144	189	metal	metal	NOUN
eurjchem-1765	144	190	complex	complex	NOUN
eurjchem-1765	144	191	(	(	PUNCT
eurjchem-1765	144	192	mg	mg	PROPN
eurjchem-1765	144	193	)	)	PUNCT
eurjchem-1765	144	194	2.10	2.10	NUM
eurjchem-1765	144	195	2.03	2.03	NUM
eurjchem-1765	144	196	a11	a11	NOUN
eurjchem-1765	144	197	296.32	296.32	NUM
eurjchem-1765	144	198	-23.4193	-23.4193	PUNCT
eurjchem-1765	144	199	asp1222	asp1222	PROPN
eurjchem-1765	144	200	asn1209	asn1209	NOUN
eurjchem-1765	144	201	metal	metal	NOUN
eurjchem-1765	144	202	complex	complex	NOUN
eurjchem-1765	144	203	(	(	PUNCT
eurjchem-1765	144	204	mg	mg	NOUN
eurjchem-1765	144	205	)	)	PUNCT
eurjchem-1765	144	206	metal	metal	NOUN
eurjchem-1765	144	207	complex	complex	NOUN
eurjchem-1765	144	208	(	(	PUNCT
eurjchem-1765	144	209	mg	mg	PROPN
eurjchem-1765	144	210	)	)	PUNCT
eurjchem-1765	144	211	2.10	2.10	NUM
eurjchem-1765	144	212	2.03	2.03	NUM
eurjchem-1765	144	213	a12	a12	NOUN
eurjchem-1765	144	214	279.29	279.29	NUM
eurjchem-1765	144	215	-22.4421	-22.4421	SYM
eurjchem-1765	144	216	asp1222	asp1222	NOUN
eurjchem-1765	144	217	asn1209	asn1209	NOUN
eurjchem-1765	144	218	metal	metal	NOUN
eurjchem-1765	144	219	complex	complex	NOUN
eurjchem-1765	144	220	(	(	PUNCT
eurjchem-1765	144	221	mg	mg	NOUN
eurjchem-1765	144	222	)	)	PUNCT
eurjchem-1765	144	223	metal	metal	NOUN
eurjchem-1765	144	224	complex	complex	NOUN
eurjchem-1765	144	225	(	(	PUNCT
eurjchem-1765	144	226	mg	mg	PROPN
eurjchem-1765	144	227	)	)	PUNCT
eurjchem-1765	144	228	2.10	2.10	NUM
eurjchem-1765	144	229	2.03	2.03	NUM
eurjchem-1765	144	230	a13	a13	NOUN
eurjchem-1765	144	231	243.21	243.21	NUM
eurjchem-1765	144	232	-21.7925	-21.7925	NUM
eurjchem-1765	144	233	asp1222	asp1222	NOUN
eurjchem-1765	144	234	asn1209	asn1209	NOUN
eurjchem-1765	144	235	metal	metal	NOUN
eurjchem-1765	144	236	complex	complex	NOUN
eurjchem-1765	144	237	(	(	PUNCT
eurjchem-1765	144	238	mg	mg	NOUN
eurjchem-1765	144	239	)	)	PUNCT
eurjchem-1765	144	240	metal	metal	NOUN
eurjchem-1765	144	241	complex	complex	NOUN
eurjchem-1765	144	242	(	(	PUNCT
eurjchem-1765	144	243	mg	mg	PROPN
eurjchem-1765	144	244	)	)	PUNCT
eurjchem-1765	144	245	2.10	2.10	NUM
eurjchem-1765	144	246	2.03	2.03	NUM
eurjchem-1765	144	247	a14	a14	NOUN
eurjchem-1765	144	248	256.72	256.72	NUM
eurjchem-1765	144	249	-20.3991	-20.3991	PUNCT
eurjchem-1765	144	250	asp1222	asp1222	NOUN
eurjchem-1765	144	251	asn1209	asn1209	NOUN
eurjchem-1765	144	252	metal	metal	NOUN
eurjchem-1765	144	253	complex	complex	NOUN
eurjchem-1765	144	254	(	(	PUNCT
eurjchem-1765	144	255	mg	mg	NOUN
eurjchem-1765	144	256	)	)	PUNCT
eurjchem-1765	144	257	metal	metal	NOUN
eurjchem-1765	144	258	complex	complex	NOUN
eurjchem-1765	144	259	(	(	PUNCT
eurjchem-1765	144	260	mg	mg	PROPN
eurjchem-1765	144	261	)	)	PUNCT
eurjchem-1765	144	262	2.10	2.10	NUM
eurjchem-1765	144	263	2.03	2.03	NUM
eurjchem-1765	144	264	a15	a15	NOUN
eurjchem-1765	144	265	248.31	248.31	NUM
eurjchem-1765	144	266	-20.5758	-20.5758	NUM
eurjchem-1765	144	267	asp1222	asp1222	NOUN
eurjchem-1765	144	268	asn1209	asn1209	NOUN
eurjchem-1765	144	269	metal	metal	NOUN
eurjchem-1765	144	270	complex	complex	NOUN
eurjchem-1765	144	271	(	(	PUNCT
eurjchem-1765	144	272	mg	mg	NOUN
eurjchem-1765	144	273	)	)	PUNCT
eurjchem-1765	144	274	metal	metal	NOUN
eurjchem-1765	144	275	complex	complex	NOUN
eurjchem-1765	144	276	(	(	PUNCT
eurjchem-1765	144	277	mg	mg	PROPN
eurjchem-1765	144	278	)	)	PUNCT
eurjchem-1765	144	279	2.10	2.10	NUM
eurjchem-1765	144	280	2.03	2.03	NUM
eurjchem-1765	144	281	a16	a16	PROPN
eurjchem-1765	144	282	212.24	212.24	NUM
eurjchem-1765	144	283	-22.5230	-22.5230	PUNCT
eurjchem-1765	144	284	asp1222	asp1222	NOUN
eurjchem-1765	144	285	asn1209	asn1209	NOUN
eurjchem-1765	144	286	metal	metal	NOUN
eurjchem-1765	144	287	complex	complex	NOUN
eurjchem-1765	144	288	(	(	PUNCT
eurjchem-1765	144	289	mg	mg	NOUN
eurjchem-1765	144	290	)	)	PUNCT
eurjchem-1765	144	291	metal	metal	NOUN
eurjchem-1765	144	292	complex	complex	NOUN
eurjchem-1765	144	293	(	(	PUNCT
eurjchem-1765	144	294	mg	mg	PROPN
eurjchem-1765	144	295	)	)	PUNCT
eurjchem-1765	144	296	2.10	2.10	NUM
eurjchem-1765	144	297	2.03	2.03	NUM
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eurjchem-1765	144	311	conflict	conflict	NOUN
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eurjchem-1765	144	314	.	.	PUNCT
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eurjchem-1765	145	3	:	:	PUNCT
eurjchem-1765	145	4	all	all	DET
eurjchem-1765	145	5	authors	author	NOUN
eurjchem-1765	145	6	contributed	contribute	VERB
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eurjchem-1765	145	8	to	to	ADP
eurjchem-1765	145	9	this	this	DET
eurjchem-1765	145	10	work	work	NOUN
eurjchem-1765	145	11	.	.	PUNCT
eurjchem-1765	146	1	ethical	ethical	ADJ
eurjchem-1765	146	2	approval	approval	NOUN
eurjchem-1765	146	3	:	:	PUNCT
eurjchem-1765	147	1	all	all	DET
eurjchem-1765	147	2	ethical	ethical	ADJ
eurjchem-1765	147	3	guidelines	guideline	NOUN
eurjchem-1765	147	4	have	have	AUX
eurjchem-1765	147	5	been	be	AUX
eurjchem-1765	147	6	adhered	adhere	VERB
eurjchem-1765	147	7	.	.	PUNCT
eurjchem-1765	148	1	orcid	orcid	NOUN
eurjchem-1765	148	2	maysoon	maysoon	PROPN
eurjchem-1765	148	3	mohammed	mohammed	PROPN
eurjchem-1765	148	4	almahdi	almahdi	PROPN
eurjchem-1765	148	5	http://orcid.org/0000-0002-9970-5662	http://orcid.org/0000-0002-9970-5662	PROPN
eurjchem-1765	148	6	ahmed	ahmed	PROPN
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eurjchem-1765	181	8	h.	h.	PROPN
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eurjchem-1765	183	3	]	]	PUNCT
eurjchem-1765	183	4	.	.	PUNCT
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eurjchem-1765	184	2	,	,	PUNCT
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eurjchem-1765	184	9	;	;	PUNCT
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eurjchem-1765	184	20	a.	a.	PROPN
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eurjchem-1765	185	2	,	,	PUNCT
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eurjchem-1765	185	4	,	,	PUNCT
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eurjchem-1765	185	6	-	-	SYM
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eurjchem-1765	185	8	.	.	PUNCT
eurjchem-1765	186	1	[	[	X
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eurjchem-1765	186	3	]	]	PUNCT
eurjchem-1765	186	4	.	.	PUNCT
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eurjchem-1765	187	2	,	,	PUNCT
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eurjchem-1765	188	2	.	.	PUNCT
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eurjchem-1765	189	5	,	,	PUNCT
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eurjchem-1765	189	9	.	.	PUNCT
eurjchem-1765	190	1	[	[	X
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eurjchem-1765	190	4	.	.	PUNCT
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eurjchem-1765	191	4	;	;	PUNCT
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eurjchem-1765	191	8	;	;	PUNCT
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eurjchem-1765	191	10	,	,	PUNCT
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eurjchem-1765	195	2	,	,	PUNCT
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eurjchem-1765	198	7	are	be	AUX
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eurjchem-1765	198	20	(	(	PUNCT
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eurjchem-1765	198	31	(	(	PUNCT
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eurjchem-1765	206	12	the	the	DET
eurjchem-1765	206	13	activity	activity	NOUN
eurjchem-1765	206	14	of	of	ADP
eurjchem-1765	206	15	designed	design	VERB
eurjchem-1765	206	16	α	α	NOUN
eurjchem-1765	206	17	,	,	PUNCT
eurjchem-1765	206	18	β	β	ADJ
eurjchem-1765	206	19	-	-	ADJ
eurjchem-1765	206	20	unsaturated	unsaturate	VERB
eurjchem-1765	206	21	carbonyl	carbonyl	NOUN
eurjchem-1765	206	22	compounds	compound	NOUN
eurjchem-1765	206	23	(	(	PUNCT
eurjchem-1765	206	24	a1	a1	NOUN
eurjchem-1765	206	25	-	-	PUNCT
eurjchem-1765	206	26	16	16	NUM
eurjchem-1765	206	27	)	)	PUNCT
eurjchem-1765	206	28	2.2	2.2	NUM
eurjchem-1765	206	29	.	.	PUNCT
eurjchem-1765	207	1	molecular	molecular	ADJ
eurjchem-1765	207	2	docking	docking	NOUN
eurjchem-1765	207	3	3	3	NUM
eurjchem-1765	207	4	.	.	NOUN
eurjchem-1765	207	5	results	result	NOUN
eurjchem-1765	207	6	and	and	CCONJ
eurjchem-1765	207	7	discussion	discussion	NOUN
eurjchem-1765	207	8	3.1	3.1	NUM
eurjchem-1765	207	9	.	.	PUNCT
eurjchem-1765	207	10	qsar	qsar	PROPN
eurjchem-1765	207	11	studies	study	NOUN
eurjchem-1765	207	12	3.2	3.2	NUM
eurjchem-1765	207	13	.	.	PUNCT
eurjchem-1765	208	1	docking	dock	VERB
eurjchem-1765	208	2	study	study	NOUN
eurjchem-1765	208	3	4	4	NUM
eurjchem-1765	208	4	.	.	PUNCT
eurjchem-1765	208	5	conclusion	conclusion	NOUN
eurjchem-1765	208	6	disclosure	disclosure	NOUN
eurjchem-1765	208	7	statement	statement	NOUN
eurjchem-1765	208	8	orcid	orcid	PROPN
eurjchem-1765	208	9	references	reference	NOUN
eurjchem-1765	208	10	printfield10	printfield10	NOUN
eurjchem-1765	208	11	:	:	PUNCT
eurjchem-1765	208	12	printfield11	printfield11	NOUN
eurjchem-1765	208	13	:	:	PUNCT
eurjchem-1765	208	14	printfield12	printfield12	PROPN
eurjchem-1765	208	15	:	:	PUNCT
eurjchem-1765	208	16	printfield13	printfield13	VERB
eurjchem-1765	208	17	:	:	PUNCT
eurjchem-1765	208	18	printfield14	printfield14	NOUN
eurjchem-1765	208	19	:	:	PUNCT
eurjchem-1765	208	20	printfield15	printfield15	NOUN
eurjchem-1765	208	21	:	:	PUNCT
eurjchem-1765	208	22	printfield20	printfield20	PROPN
eurjchem-1765	208	23	:	:	PUNCT
eurjchem-1765	208	24	printfield21	printfield21	ADJ
eurjchem-1765	208	25	:	:	PUNCT
eurjchem-1765	208	26	printfield22	printfield22	NOUN
eurjchem-1765	208	27	:	:	PUNCT
eurjchem-1765	208	28	printfield23	printfield23	NOUN
eurjchem-1765	208	29	:	:	PUNCT
eurjchem-1765	208	30	printfield24	printfield24	NOUN
eurjchem-1765	208	31	:	:	PUNCT
eurjchem-1765	208	32	printfield25	printfield25	NOUN
eurjchem-1765	208	33	:	:	PUNCT