id	sid	tid	token	lemma	pos
cet-15420	1	1	doi	doi	NOUN
cet-15420	1	2	:	:	PUNCT
cet-15420	1	3	10.3303	10.3303	NUM
cet-15420	1	4	/	/	SYM
cet-15420	1	5	cet25117170	cet25117170	NOUN
cet-15420	1	6	paper	paper	NOUN
cet-15420	1	7	received	receive	VERB
cet-15420	1	8	:	:	PUNCT
cet-15420	1	9	31	31	NUM
cet-15420	1	10	december	december	PROPN
cet-15420	1	11	2024	2024	NUM
cet-15420	1	12	;	;	PUNCT
cet-15420	1	13	revised	revise	VERB
cet-15420	1	14	:	:	PUNCT
cet-15420	1	15	14	14	NUM
cet-15420	1	16	april	april	PROPN
cet-15420	1	17	2025	2025	NUM
cet-15420	1	18	;	;	PUNCT
cet-15420	1	19	accepted	accept	VERB
cet-15420	1	20	:	:	PUNCT
cet-15420	1	21	24	24	NUM
cet-15420	1	22	april	april	PROPN
cet-15420	1	23	2025	2025	NUM
cet-15420	1	24	please	please	INTJ
cet-15420	1	25	cite	cite	VERB
cet-15420	1	26	this	this	DET
cet-15420	1	27	article	article	NOUN
cet-15420	1	28	as	as	ADP
cet-15420	1	29	:	:	PUNCT
cet-15420	1	30	chawuthai	chawuthai	PROPN
cet-15420	1	31	r.	r.	PROPN
cet-15420	1	32	,	,	PUNCT
cet-15420	1	33	murathathunyaluk	murathathunyaluk	PROPN
cet-15420	1	34	s.	s.	PROPN
cet-15420	1	35	,	,	PUNCT
cet-15420	1	36	amornratthamrong	amornratthamrong	PROPN
cet-15420	1	37	n.	n.	PROPN
cet-15420	1	38	,	,	PUNCT
cet-15420	1	39	arunchaipong	arunchaipong	PROPN
cet-15420	1	40	r.	r.	PROPN
cet-15420	1	41	,	,	PUNCT
cet-15420	1	42	anantpinijwatna	anantpinijwatna	PROPN
cet-15420	1	43	a.	a.	PROPN
cet-15420	1	44	,	,	PUNCT
cet-15420	1	45	2025	2025	NUM
cet-15420	1	46	,	,	PUNCT
cet-15420	1	47	integration	integration	NOUN
cet-15420	1	48	of	of	ADP
cet-15420	1	49	genetic	genetic	ADJ
cet-15420	1	50	algorithm	algorithm	NOUN
cet-15420	1	51	with	with	ADP
cet-15420	1	52	machine	machine	NOUN
cet-15420	1	53	learning	learning	NOUN
cet-15420	1	54	for	for	ADP
cet-15420	1	55	properties	property	NOUN
cet-15420	1	56	prediction	prediction	NOUN
cet-15420	1	57	,	,	PUNCT
cet-15420	1	58	chemical	chemical	ADJ
cet-15420	1	59	engineering	engineering	NOUN
cet-15420	1	60	transactions	transaction	NOUN
cet-15420	1	61	,	,	PUNCT
cet-15420	1	62	117	117	NUM
cet-15420	1	63	,	,	PUNCT
cet-15420	1	64	1015	1015	NUM
cet-15420	1	65	-	-	SYM
cet-15420	1	66	1020	1020	NUM
cet-15420	1	67	doi:10.3303	doi:10.3303	NOUN
cet-15420	1	68	/	/	SYM
cet-15420	1	69	cet25117170	cet25117170	NOUN
cet-15420	1	70	chemical	chemical	NOUN
cet-15420	1	71	engineering	engineering	NOUN
cet-15420	1	72	transactions	transaction	NOUN
cet-15420	1	73	vol	vol	NOUN
cet-15420	1	74	.	.	PROPN
cet-15420	1	75	117	117	NUM
cet-15420	1	76	,	,	PUNCT
cet-15420	1	77	2025	2025	NUM
cet-15420	1	78	a	a	DET
cet-15420	1	79	publication	publication	NOUN
cet-15420	1	80	of	of	ADP
cet-15420	1	81	the	the	DET
cet-15420	1	82	italian	italian	ADJ
cet-15420	1	83	association	association	NOUN
cet-15420	1	84	of	of	ADP
cet-15420	1	85	chemical	chemical	PROPN
cet-15420	1	86	engineering	engineering	NOUN
cet-15420	1	87	online	online	ADV
cet-15420	1	88	at	at	ADP
cet-15420	1	89	www.cetjournal.it	www.cetjournal.it	PROPN
cet-15420	1	90	guest	guest	NOUN
cet-15420	1	91	editors	editor	NOUN
cet-15420	1	92	:	:	PUNCT
cet-15420	1	93	fabrizio	fabrizio	PROPN
cet-15420	1	94	bezzo	bezzo	PROPN
cet-15420	1	95	,	,	PUNCT
cet-15420	1	96	flavio	flavio	PROPN
cet-15420	1	97	manenti	manenti	PROPN
cet-15420	1	98	,	,	PUNCT
cet-15420	1	99	gabriele	gabriele	PROPN
cet-15420	1	100	pannocchia	pannocchia	PROPN
cet-15420	1	101	,	,	PUNCT
cet-15420	1	102	almerinda	almerinda	PROPN
cet-15420	1	103	di	di	PROPN
cet-15420	1	104	benedetto	benedetto	PROPN
cet-15420	1	105	copyright	copyright	PROPN
cet-15420	2	1	©	©	PROPN
cet-15420	2	2	2025	2025	NUM
cet-15420	2	3	,	,	PUNCT
cet-15420	2	4	aidic	aidic	ADJ
cet-15420	2	5	servizi	servizi	PROPN
cet-15420	2	6	s.r.l	s.r.l	NOUN
cet-15420	2	7	.	.	PUNCT
cet-15420	3	1	isbn	isbn	PROPN
cet-15420	3	2	979	979	NUM
cet-15420	3	3	-	-	SYM
cet-15420	3	4	12	12	NUM
cet-15420	3	5	-	-	PUNCT
cet-15420	3	6	81206	81206	NUM
cet-15420	3	7	-	-	SYM
cet-15420	3	8	17	17	NUM
cet-15420	3	9	-	-	SYM
cet-15420	3	10	5	5	NUM
cet-15420	3	11	;	;	PUNCT
cet-15420	3	12	issn	issn	PROPN
cet-15420	3	13	2283	2283	NUM
cet-15420	3	14	-	-	SYM
cet-15420	3	15	9216	9216	NUM
cet-15420	3	16	integration	integration	NOUN
cet-15420	3	17	of	of	ADP
cet-15420	3	18	genetic	genetic	ADJ
cet-15420	3	19	algorithm	algorithm	NOUN
cet-15420	3	20	with	with	ADP
cet-15420	3	21	machine	machine	NOUN
cet-15420	3	22	learning	learning	NOUN
cet-15420	3	23	for	for	ADP
cet-15420	3	24	properties	property	NOUN
cet-15420	3	25	prediction	prediction	NOUN
cet-15420	3	26	rathachai	rathachai	ADJ
cet-15420	3	27	chawuthaia	chawuthaia	NOUN
cet-15420	3	28	,	,	PUNCT
cet-15420	3	29	siripan	siripan	NOUN
cet-15420	3	30	murathathunyalukb	murathathunyalukb	NOUN
cet-15420	3	31	,	,	PUNCT
cet-15420	3	32	nalin	nalin	PROPN
cet-15420	3	33	amornratthamrongb	amornratthamrongb	PROPN
cet-15420	3	34	,	,	PUNCT
cet-15420	3	35	run	run	VERB
cet-15420	3	36	arunchaipongb	arunchaipongb	PROPN
cet-15420	3	37	,	,	PUNCT
cet-15420	3	38	amata	amata	X
cet-15420	3	39	anantpinijwatnab	anantpinijwatnab	NOUN
cet-15420	3	40	*	*	PUNCT
cet-15420	3	41	adepartment	adepartment	NOUN
cet-15420	3	42	of	of	ADP
cet-15420	3	43	computer	computer	NOUN
cet-15420	3	44	engineering	engineering	NOUN
cet-15420	3	45	,	,	PUNCT
cet-15420	3	46	school	school	NOUN
cet-15420	3	47	of	of	ADP
cet-15420	3	48	engineering	engineering	NOUN
cet-15420	3	49	,	,	PUNCT
cet-15420	3	50	king	king	PROPN
cet-15420	3	51	mongkut	mongkut	PROPN
cet-15420	3	52	’s	’s	PROPN
cet-15420	3	53	institute	institute	PROPN
cet-15420	3	54	of	of	ADP
cet-15420	3	55	technology	technology	PROPN
cet-15420	3	56	ladkrabang	ladkrabang	PROPN
cet-15420	3	57	,	,	PUNCT
cet-15420	3	58	bangkok	bangkok	PROPN
cet-15420	3	59	10520	10520	NUM
cet-15420	3	60	,	,	PUNCT
cet-15420	3	61	thailand	thailand	PROPN
cet-15420	3	62	bdepartment	bdepartment	PROPN
cet-15420	3	63	of	of	ADP
cet-15420	3	64	chemical	chemical	PROPN
cet-15420	3	65	engineering	engineering	NOUN
cet-15420	3	66	,	,	PUNCT
cet-15420	3	67	school	school	NOUN
cet-15420	3	68	of	of	ADP
cet-15420	3	69	engineering	engineering	NOUN
cet-15420	3	70	,	,	PUNCT
cet-15420	3	71	king	king	PROPN
cet-15420	3	72	mongkut	mongkut	PROPN
cet-15420	3	73	’s	’s	PROPN
cet-15420	3	74	institute	institute	PROPN
cet-15420	3	75	of	of	ADP
cet-15420	3	76	technology	technology	PROPN
cet-15420	3	77	ladkrabang	ladkrabang	PROPN
cet-15420	3	78	,	,	PUNCT
cet-15420	3	79	bangkok	bangkok	PROPN
cet-15420	3	80	10520	10520	NUM
cet-15420	3	81	,	,	PUNCT
cet-15420	3	82	thailand	thailand	PROPN
cet-15420	3	83	amata.an@kmitl.ac.th	amata.an@kmitl.ac.th	PRON
cet-15420	3	84	numerous	numerous	ADJ
cet-15420	3	85	studies	study	NOUN
cet-15420	3	86	have	have	AUX
cet-15420	3	87	demonstrated	demonstrate	VERB
cet-15420	3	88	that	that	PRON
cet-15420	3	89	machine	machine	NOUN
cet-15420	3	90	learning	learning	NOUN
cet-15420	3	91	(	(	PUNCT
cet-15420	3	92	ml	ml	NOUN
cet-15420	3	93	)	)	PUNCT
cet-15420	3	94	provides	provide	VERB
cet-15420	3	95	more	more	ADV
cet-15420	3	96	accurate	accurate	ADJ
cet-15420	3	97	estimations	estimation	NOUN
cet-15420	3	98	of	of	ADP
cet-15420	3	99	properties	property	NOUN
cet-15420	3	100	for	for	ADP
cet-15420	3	101	oxygenated	oxygenated	ADJ
cet-15420	3	102	organic	organic	ADJ
cet-15420	3	103	derivatives	derivative	NOUN
cet-15420	3	104	compared	compare	VERB
cet-15420	3	105	to	to	ADP
cet-15420	3	106	the	the	DET
cet-15420	3	107	conventional	conventional	ADJ
cet-15420	3	108	quantitative	quantitative	ADJ
cet-15420	3	109	structure	structure	NOUN
cet-15420	3	110	-	-	PUNCT
cet-15420	3	111	property	property	NOUN
cet-15420	3	112	relationship	relationship	NOUN
cet-15420	3	113	(	(	PUNCT
cet-15420	3	114	qspr	qspr	NOUN
cet-15420	3	115	)	)	PUNCT
cet-15420	3	116	method	method	NOUN
cet-15420	3	117	.	.	PUNCT
cet-15420	4	1	consequently	consequently	ADV
cet-15420	4	2	,	,	PUNCT
cet-15420	4	3	ml	ml	VERB
cet-15420	4	4	’s	’s	PART
cet-15420	4	5	predictive	predictive	ADJ
cet-15420	4	6	capabilities	capability	NOUN
cet-15420	4	7	have	have	AUX
cet-15420	4	8	been	be	AUX
cet-15420	4	9	extended	extend	VERB
cet-15420	4	10	to	to	PART
cet-15420	4	11	encompass	encompass	VERB
cet-15420	4	12	a	a	DET
cet-15420	4	13	broader	broad	ADJ
cet-15420	4	14	range	range	NOUN
cet-15420	4	15	of	of	ADP
cet-15420	4	16	properties	property	NOUN
cet-15420	4	17	,	,	PUNCT
cet-15420	4	18	including	include	VERB
cet-15420	4	19	partition	partition	NOUN
cet-15420	4	20	coefficient	coefficient	NOUN
cet-15420	4	21	,	,	PUNCT
cet-15420	4	22	boiling	boiling	NOUN
cet-15420	4	23	point	point	NOUN
cet-15420	4	24	,	,	PUNCT
cet-15420	4	25	and	and	CCONJ
cet-15420	4	26	solubility	solubility	NOUN
cet-15420	4	27	,	,	PUNCT
cet-15420	4	28	among	among	ADP
cet-15420	4	29	others	other	NOUN
cet-15420	4	30	,	,	PUNCT
cet-15420	4	31	for	for	ADP
cet-15420	4	32	oxygenated	oxygenated	ADJ
cet-15420	4	33	hydrocarbon	hydrocarbon	NOUN
cet-15420	4	34	derivatives	derivative	NOUN
cet-15420	4	35	.	.	PUNCT
cet-15420	5	1	algorithms	algorithm	NOUN
cet-15420	5	2	such	such	ADJ
cet-15420	5	3	as	as	ADP
cet-15420	5	4	linear	linear	PROPN
cet-15420	5	5	regression	regression	NOUN
cet-15420	5	6	,	,	PUNCT
cet-15420	5	7	support	support	NOUN
cet-15420	5	8	vector	vector	NOUN
cet-15420	5	9	machine	machine	NOUN
cet-15420	5	10	,	,	PUNCT
cet-15420	5	11	random	random	ADJ
cet-15420	5	12	forest	forest	NOUN
cet-15420	5	13	,	,	PUNCT
cet-15420	5	14	and	and	CCONJ
cet-15420	5	15	gaussian	gaussian	ADJ
cet-15420	5	16	process	process	NOUN
cet-15420	5	17	are	be	AUX
cet-15420	5	18	selected	select	VERB
cet-15420	5	19	through	through	ADP
cet-15420	5	20	trial	trial	NOUN
cet-15420	5	21	-	-	PUNCT
cet-15420	5	22	and	and	CCONJ
cet-15420	5	23	-	-	PUNCT
cet-15420	5	24	error	error	NOUN
cet-15420	5	25	to	to	PART
cet-15420	5	26	identify	identify	VERB
cet-15420	5	27	the	the	DET
cet-15420	5	28	most	most	ADV
cet-15420	5	29	suitable	suitable	ADJ
cet-15420	5	30	approach	approach	NOUN
cet-15420	5	31	.	.	PUNCT
cet-15420	6	1	the	the	DET
cet-15420	6	2	models	model	NOUN
cet-15420	6	3	are	be	AUX
cet-15420	6	4	trained	train	VERB
cet-15420	6	5	and	and	CCONJ
cet-15420	6	6	validated	validate	VERB
cet-15420	6	7	using	use	VERB
cet-15420	6	8	experimental	experimental	ADJ
cet-15420	6	9	data	datum	NOUN
cet-15420	6	10	from	from	ADP
cet-15420	6	11	published	publish	VERB
cet-15420	6	12	literature	literature	NOUN
cet-15420	6	13	.	.	PUNCT
cet-15420	7	1	despite	despite	SCONJ
cet-15420	7	2	the	the	DET
cet-15420	7	3	accuracy	accuracy	NOUN
cet-15420	7	4	of	of	ADP
cet-15420	7	5	these	these	DET
cet-15420	7	6	property	property	NOUN
cet-15420	7	7	predictions	prediction	NOUN
cet-15420	7	8	,	,	PUNCT
cet-15420	7	9	they	they	PRON
cet-15420	7	10	have	have	AUX
cet-15420	7	11	limited	limit	VERB
cet-15420	7	12	practical	practical	ADJ
cet-15420	7	13	utility	utility	NOUN
cet-15420	7	14	in	in	ADP
cet-15420	7	15	industry	industry	NOUN
cet-15420	7	16	,	,	PUNCT
cet-15420	7	17	where	where	SCONJ
cet-15420	7	18	specific	specific	ADJ
cet-15420	7	19	property	property	NOUN
cet-15420	7	20	ranges	range	NOUN
cet-15420	7	21	are	be	AUX
cet-15420	7	22	essential	essential	ADJ
cet-15420	7	23	for	for	ADP
cet-15420	7	24	processes	process	NOUN
cet-15420	7	25	.	.	PUNCT
cet-15420	8	1	to	to	PART
cet-15420	8	2	address	address	VERB
cet-15420	8	3	this	this	PRON
cet-15420	8	4	,	,	PUNCT
cet-15420	8	5	genetic	genetic	ADJ
cet-15420	8	6	algorithms	algorithm	NOUN
cet-15420	8	7	(	(	PUNCT
cet-15420	8	8	ga	ga	NOUN
cet-15420	8	9	)	)	PUNCT
cet-15420	8	10	are	be	AUX
cet-15420	8	11	employed	employ	VERB
cet-15420	8	12	to	to	PART
cet-15420	8	13	design	design	VERB
cet-15420	8	14	chemical	chemical	NOUN
cet-15420	8	15	compounds	compound	NOUN
cet-15420	8	16	that	that	PRON
cet-15420	8	17	meet	meet	VERB
cet-15420	8	18	industrial	industrial	ADJ
cet-15420	8	19	requirements	requirement	NOUN
cet-15420	8	20	.	.	PUNCT
cet-15420	9	1	integrating	integrate	VERB
cet-15420	9	2	ga	ga	PROPN
cet-15420	9	3	with	with	ADP
cet-15420	9	4	ml	ml	PROPN
cet-15420	9	5	could	could	AUX
cet-15420	9	6	yield	yield	VERB
cet-15420	9	7	alternative	alternative	ADJ
cet-15420	9	8	chemical	chemical	NOUN
cet-15420	9	9	compounds	compound	NOUN
cet-15420	9	10	,	,	PUNCT
cet-15420	9	11	enhancing	enhance	VERB
cet-15420	9	12	overall	overall	ADJ
cet-15420	9	13	production	production	NOUN
cet-15420	9	14	processes	process	NOUN
cet-15420	9	15	by	by	ADP
cet-15420	9	16	increasing	increase	VERB
cet-15420	9	17	economic	economic	ADJ
cet-15420	9	18	potential	potential	NOUN
cet-15420	9	19	,	,	PUNCT
cet-15420	9	20	sustainability	sustainability	NOUN
cet-15420	9	21	,	,	PUNCT
cet-15420	9	22	and	and	CCONJ
cet-15420	9	23	reducing	reduce	VERB
cet-15420	9	24	environmental	environmental	ADJ
cet-15420	9	25	impact	impact	NOUN
cet-15420	9	26	.	.	PUNCT
cet-15420	10	1	1	1	X
cet-15420	10	2	.	.	X
cet-15420	10	3	introduction	introduction	NOUN
cet-15420	10	4	hydrocarbons	hydrocarbon	NOUN
cet-15420	10	5	,	,	PUNCT
cet-15420	10	6	organic	organic	ADJ
cet-15420	10	7	compounds	compound	NOUN
cet-15420	10	8	composed	compose	VERB
cet-15420	10	9	solely	solely	ADV
cet-15420	10	10	of	of	ADP
cet-15420	10	11	carbon	carbon	NOUN
cet-15420	10	12	and	and	CCONJ
cet-15420	10	13	hydrogen	hydrogen	NOUN
cet-15420	10	14	atoms	atom	NOUN
cet-15420	10	15	,	,	PUNCT
cet-15420	10	16	are	be	AUX
cet-15420	10	17	categorized	categorize	VERB
cet-15420	10	18	into	into	ADP
cet-15420	10	19	alkanes	alkane	NOUN
cet-15420	10	20	,	,	PUNCT
cet-15420	10	21	alkenes	alkene	NOUN
cet-15420	10	22	,	,	PUNCT
cet-15420	10	23	and	and	CCONJ
cet-15420	10	24	alkynes	alkyne	NOUN
cet-15420	10	25	.	.	PUNCT
cet-15420	11	1	these	these	DET
cet-15420	11	2	compounds	compound	NOUN
cet-15420	11	3	,	,	PUNCT
cet-15420	11	4	with	with	ADP
cet-15420	11	5	various	various	ADJ
cet-15420	11	6	carbon	carbon	NOUN
cet-15420	11	7	chain	chain	NOUN
cet-15420	11	8	lengths	length	NOUN
cet-15420	11	9	,	,	PUNCT
cet-15420	11	10	exhibit	exhibit	VERB
cet-15420	11	11	diverse	diverse	ADJ
cet-15420	11	12	properties	property	NOUN
cet-15420	11	13	influenced	influence	VERB
cet-15420	11	14	by	by	ADP
cet-15420	11	15	their	their	PRON
cet-15420	11	16	molecular	molecular	ADJ
cet-15420	11	17	structure	structure	NOUN
cet-15420	11	18	(	(	PUNCT
cet-15420	11	19	wilkes	wilke	NOUN
cet-15420	11	20	and	and	CCONJ
cet-15420	11	21	schwarzbauer	schwarzbauer	NOUN
cet-15420	11	22	,	,	PUNCT
cet-15420	11	23	2010	2010	NUM
cet-15420	11	24	)	)	PUNCT
cet-15420	11	25	.	.	PUNCT
cet-15420	12	1	each	each	DET
cet-15420	12	2	type	type	NOUN
cet-15420	12	3	of	of	ADP
cet-15420	12	4	hydrocarbon	hydrocarbon	NOUN
cet-15420	12	5	structure	structure	NOUN
cet-15420	12	6	imparts	impart	VERB
cet-15420	12	7	distinct	distinct	ADJ
cet-15420	12	8	properties	property	NOUN
cet-15420	12	9	,	,	PUNCT
cet-15420	12	10	such	such	ADJ
cet-15420	12	11	as	as	ADP
cet-15420	12	12	boiling	boil	VERB
cet-15420	12	13	temperature	temperature	NOUN
cet-15420	12	14	and	and	CCONJ
cet-15420	12	15	solubility	solubility	NOUN
cet-15420	12	16	parameter	parameter	NOUN
cet-15420	12	17	(	(	PUNCT
cet-15420	12	18	wilkes	wilkes	PROPN
cet-15420	12	19	,	,	PUNCT
cet-15420	12	20	2010	2010	NUM
cet-15420	12	21	)	)	PUNCT
cet-15420	12	22	.	.	PUNCT
cet-15420	13	1	hydrocarbon	hydrocarbon	NOUN
cet-15420	13	2	compounds	compound	NOUN
cet-15420	13	3	are	be	AUX
cet-15420	13	4	widely	widely	ADV
cet-15420	13	5	utilised	utilise	VERB
cet-15420	13	6	in	in	ADP
cet-15420	13	7	industry	industry	NOUN
cet-15420	13	8	.	.	PUNCT
cet-15420	14	1	currently	currently	ADV
cet-15420	14	2	,	,	PUNCT
cet-15420	14	3	the	the	DET
cet-15420	14	4	selection	selection	NOUN
cet-15420	14	5	of	of	ADP
cet-15420	14	6	substances	substance	NOUN
cet-15420	14	7	with	with	ADP
cet-15420	14	8	complex	complex	ADJ
cet-15420	14	9	structures	structure	NOUN
cet-15420	14	10	or	or	CCONJ
cet-15420	14	11	new	new	ADJ
cet-15420	14	12	substances	substance	NOUN
cet-15420	14	13	is	be	AUX
cet-15420	14	14	tailored	tailor	VERB
cet-15420	14	15	for	for	ADP
cet-15420	14	16	specific	specific	ADJ
cet-15420	14	17	processes	process	NOUN
cet-15420	14	18	(	(	PUNCT
cet-15420	14	19	hall	hall	NOUN
cet-15420	14	20	et	et	PROPN
cet-15420	14	21	al	al	PROPN
cet-15420	14	22	.	.	PROPN
cet-15420	14	23	,	,	PUNCT
cet-15420	14	24	2003	2003	NUM
cet-15420	14	25	)	)	PUNCT
cet-15420	14	26	.	.	PUNCT
cet-15420	15	1	however	however	ADV
cet-15420	15	2	,	,	PUNCT
cet-15420	15	3	optimal	optimal	ADJ
cet-15420	15	4	substance	substance	NOUN
cet-15420	15	5	selection	selection	NOUN
cet-15420	15	6	necessitates	necessitate	VERB
cet-15420	15	7	experimental	experimental	ADJ
cet-15420	15	8	trials	trial	NOUN
cet-15420	15	9	to	to	PART
cet-15420	15	10	determine	determine	VERB
cet-15420	15	11	the	the	DET
cet-15420	15	12	most	most	ADV
cet-15420	15	13	suitable	suitable	ADJ
cet-15420	15	14	compound	compound	NOUN
cet-15420	15	15	,	,	PUNCT
cet-15420	15	16	as	as	SCONJ
cet-15420	15	17	certain	certain	ADJ
cet-15420	15	18	properties	property	NOUN
cet-15420	15	19	of	of	ADP
cet-15420	15	20	some	some	DET
cet-15420	15	21	substances	substance	NOUN
cet-15420	15	22	remain	remain	VERB
cet-15420	15	23	unknown	unknown	ADJ
cet-15420	15	24	without	without	ADP
cet-15420	15	25	experimentation	experimentation	NOUN
cet-15420	15	26	.	.	PUNCT
cet-15420	16	1	these	these	DET
cet-15420	16	2	trials	trial	NOUN
cet-15420	16	3	incur	incur	VERB
cet-15420	16	4	financial	financial	ADJ
cet-15420	16	5	and	and	CCONJ
cet-15420	16	6	temporal	temporal	ADJ
cet-15420	16	7	costs	cost	NOUN
cet-15420	16	8	.	.	PUNCT
cet-15420	17	1	traditional	traditional	ADJ
cet-15420	17	2	methods	method	NOUN
cet-15420	17	3	of	of	ADP
cet-15420	17	4	assessing	assess	VERB
cet-15420	17	5	the	the	DET
cet-15420	17	6	properties	property	NOUN
cet-15420	17	7	of	of	ADP
cet-15420	17	8	these	these	DET
cet-15420	17	9	hydrocarbons	hydrocarbon	NOUN
cet-15420	17	10	often	often	ADV
cet-15420	17	11	lack	lack	VERB
cet-15420	17	12	sufficient	sufficient	ADJ
cet-15420	17	13	accuracy	accuracy	NOUN
cet-15420	17	14	,	,	PUNCT
cet-15420	17	15	rendering	render	VERB
cet-15420	17	16	them	they	PRON
cet-15420	17	17	unsuitable	unsuitable	ADJ
cet-15420	17	18	for	for	ADP
cet-15420	17	19	reliable	reliable	ADJ
cet-15420	17	20	references	reference	NOUN
cet-15420	17	21	or	or	CCONJ
cet-15420	17	22	practical	practical	ADJ
cet-15420	17	23	application	application	NOUN
cet-15420	17	24	(	(	PUNCT
cet-15420	17	25	dablander	dablander	NOUN
cet-15420	17	26	et	et	PROPN
cet-15420	17	27	al	al	PROPN
cet-15420	17	28	.	.	PROPN
cet-15420	17	29	,	,	PUNCT
cet-15420	17	30	2023	2023	NUM
cet-15420	17	31	;	;	PUNCT
cet-15420	17	32	muratov	muratov	PROPN
cet-15420	17	33	et	et	PROPN
cet-15420	17	34	al	al	PROPN
cet-15420	17	35	.	.	PROPN
cet-15420	17	36	,	,	PUNCT
cet-15420	17	37	2020	2020	NUM
cet-15420	17	38	)	)	PUNCT
cet-15420	17	39	.	.	PUNCT
cet-15420	18	1	consequently	consequently	ADV
cet-15420	18	2	,	,	PUNCT
cet-15420	18	3	experiments	experiment	NOUN
cet-15420	18	4	are	be	AUX
cet-15420	18	5	required	require	VERB
cet-15420	18	6	to	to	PART
cet-15420	18	7	verify	verify	VERB
cet-15420	18	8	these	these	DET
cet-15420	18	9	properties	property	NOUN
cet-15420	18	10	,	,	PUNCT
cet-15420	18	11	but	but	CCONJ
cet-15420	18	12	they	they	PRON
cet-15420	18	13	are	be	AUX
cet-15420	18	14	time	time	NOUN
cet-15420	18	15	-	-	PUNCT
cet-15420	18	16	consuming	consume	VERB
cet-15420	18	17	and	and	CCONJ
cet-15420	18	18	costly	costly	ADJ
cet-15420	18	19	.	.	PUNCT
cet-15420	19	1	thus	thus	ADV
cet-15420	19	2	,	,	PUNCT
cet-15420	19	3	models	model	NOUN
cet-15420	19	4	have	have	AUX
cet-15420	19	5	been	be	AUX
cet-15420	19	6	developed	develop	VERB
cet-15420	19	7	to	to	PART
cet-15420	19	8	predict	predict	VERB
cet-15420	19	9	these	these	DET
cet-15420	19	10	properties	property	NOUN
cet-15420	19	11	.	.	PUNCT
cet-15420	20	1	for	for	ADP
cet-15420	20	2	instance	instance	NOUN
cet-15420	20	3	,	,	PUNCT
cet-15420	20	4	research	research	NOUN
cet-15420	20	5	by	by	ADP
cet-15420	20	6	oprisiu	oprisiu	NOUN
cet-15420	20	7	et	et	PROPN
cet-15420	20	8	al	al	PROPN
cet-15420	20	9	.	.	PROPN
cet-15420	21	1	(	(	PUNCT
cet-15420	21	2	2013	2013	NUM
cet-15420	21	3	)	)	PUNCT
cet-15420	21	4	employed	employ	VERB
cet-15420	21	5	quantitative	quantitative	ADJ
cet-15420	21	6	structure	structure	NOUN
cet-15420	21	7	models	model	NOUN
cet-15420	21	8	to	to	PART
cet-15420	21	9	predict	predict	VERB
cet-15420	21	10	boiling	boiling	NOUN
cet-15420	21	11	temperatures	temperature	NOUN
cet-15420	21	12	and	and	CCONJ
cet-15420	21	13	utilised	utilise	VERB
cet-15420	21	14	non	non	ADJ
cet-15420	21	15	-	-	ADJ
cet-15420	21	16	linear	linear	ADJ
cet-15420	21	17	models	model	NOUN
cet-15420	21	18	such	such	ADJ
cet-15420	21	19	as	as	ADP
cet-15420	21	20	associative	associative	ADJ
cet-15420	21	21	neural	neural	ADJ
cet-15420	21	22	networks	network	NOUN
cet-15420	21	23	(	(	PUNCT
cet-15420	21	24	asnns	asnns	PROPN
cet-15420	21	25	)	)	PUNCT
cet-15420	21	26	along	along	ADP
cet-15420	21	27	with	with	ADP
cet-15420	21	28	other	other	ADJ
cet-15420	21	29	linear	linear	ADJ
cet-15420	21	30	regression	regression	NOUN
cet-15420	21	31	models	model	NOUN
cet-15420	21	32	.	.	PUNCT
cet-15420	22	1	boiling	boiling	NOUN
cet-15420	22	2	point	point	NOUN
cet-15420	22	3	data	datum	NOUN
cet-15420	22	4	focused	focus	VERB
cet-15420	22	5	on	on	ADP
cet-15420	22	6	organic	organic	ADJ
cet-15420	22	7	compounds	compound	NOUN
cet-15420	22	8	containing	contain	VERB
cet-15420	22	9	carbon	carbon	NOUN
cet-15420	22	10	atoms	atom	NOUN
cet-15420	22	11	greater	great	ADJ
cet-15420	22	12	than	than	ADP
cet-15420	22	13	two	two	NUM
cet-15420	22	14	and	and	CCONJ
cet-15420	22	15	other	other	ADJ
cet-15420	22	16	atoms	atom	NOUN
cet-15420	22	17	including	include	VERB
cet-15420	22	18	c	c	PROPN
cet-15420	22	19	,	,	PUNCT
cet-15420	22	20	h	h	NOUN
cet-15420	22	21	,	,	PUNCT
cet-15420	22	22	f	f	NOUN
cet-15420	22	23	,	,	PUNCT
cet-15420	22	24	cl	cl	NOUN
cet-15420	22	25	,	,	PUNCT
cet-15420	22	26	br	br	PROPN
cet-15420	22	27	,	,	PUNCT
cet-15420	22	28	n	n	CCONJ
cet-15420	22	29	,	,	PUNCT
cet-15420	22	30	and	and	CCONJ
cet-15420	22	31	o.	o.	ADV
cet-15420	22	32	additionally	additionally	ADV
cet-15420	22	33	,	,	PUNCT
cet-15420	22	34	chorbngam	chorbngam	NOUN
cet-15420	22	35	et	et	PROPN
cet-15420	22	36	al	al	PROPN
cet-15420	22	37	.	.	PROPN
cet-15420	23	1	(	(	PUNCT
cet-15420	23	2	2021	2021	NUM
cet-15420	23	3	)	)	PUNCT
cet-15420	23	4	studied	study	VERB
cet-15420	23	5	and	and	CCONJ
cet-15420	23	6	developed	develop	VERB
cet-15420	23	7	models	model	NOUN
cet-15420	23	8	to	to	PART
cet-15420	23	9	predict	predict	VERB
cet-15420	23	10	boiling	boiling	NOUN
cet-15420	23	11	temperatures	temperature	NOUN
cet-15420	23	12	,	,	PUNCT
cet-15420	23	13	while	while	SCONJ
cet-15420	23	14	thakaew	thakaew	NOUN
cet-15420	23	15	and	and	CCONJ
cet-15420	23	16	sribut	sribut	NOUN
cet-15420	23	17	(	(	PUNCT
cet-15420	23	18	2021	2021	NUM
cet-15420	23	19	)	)	PUNCT
cet-15420	23	20	investigated	investigate	VERB
cet-15420	23	21	the	the	DET
cet-15420	23	22	water	water	NOUN
cet-15420	23	23	solubility	solubility	NOUN
cet-15420	23	24	properties	property	NOUN
cet-15420	23	25	of	of	ADP
cet-15420	23	26	hydrocarbons	hydrocarbon	NOUN
cet-15420	23	27	and	and	CCONJ
cet-15420	23	28	developed	develop	VERB
cet-15420	23	29	models	model	NOUN
cet-15420	23	30	to	to	PART
cet-15420	23	31	predict	predict	VERB
cet-15420	23	32	solubility.in	solubility.in	PRON
cet-15420	23	33	developing	develop	VERB
cet-15420	23	34	models	model	NOUN
cet-15420	23	35	to	to	PART
cet-15420	23	36	predict	predict	VERB
cet-15420	23	37	substance	substance	NOUN
cet-15420	23	38	properties	property	NOUN
cet-15420	23	39	,	,	PUNCT
cet-15420	23	40	algorithm	algorithm	NOUN
cet-15420	23	41	selection	selection	NOUN
cet-15420	23	42	and	and	CCONJ
cet-15420	23	43	hyperparameter	hyperparameter	NOUN
cet-15420	23	44	tuning	tuning	NOUN
cet-15420	23	45	,	,	PUNCT
cet-15420	23	46	along	along	ADP
cet-15420	23	47	with	with	ADP
cet-15420	23	48	the	the	DET
cet-15420	23	49	training	training	NOUN
cet-15420	23	50	dataset	dataset	NOUN
cet-15420	23	51	,	,	PUNCT
cet-15420	23	52	significantly	significantly	ADV
cet-15420	23	53	impact	impact	NOUN
cet-15420	23	54	accuracy	accuracy	NOUN
cet-15420	23	55	.	.	PUNCT
cet-15420	24	1	research	research	NOUN
cet-15420	24	2	by	by	ADP
cet-15420	24	3	chorbngam	chorbngam	NOUN
cet-15420	24	4	et	et	PROPN
cet-15420	24	5	al	al	PROPN
cet-15420	24	6	.	.	PROPN
cet-15420	24	7	(	(	PUNCT
cet-15420	24	8	2021	2021	NUM
cet-15420	24	9	)	)	PUNCT
cet-15420	24	10	,	,	PUNCT
cet-15420	24	11	saengsuradech	saengsuradech	NOUN
cet-15420	24	12	and	and	CCONJ
cet-15420	24	13	nukaew	nukaew	NOUN
cet-15420	24	14	(	(	PUNCT
cet-15420	24	15	2021	2021	NUM
cet-15420	24	16	)	)	PUNCT
cet-15420	24	17	,	,	PUNCT
cet-15420	24	18	and	and	CCONJ
cet-15420	24	19	thakaew	thakaew	NOUN
cet-15420	24	20	and	and	CCONJ
cet-15420	24	21	sribut	sribut	NOUN
cet-15420	24	22	(	(	PUNCT
cet-15420	24	23	2021	2021	NUM
cet-15420	24	24	)	)	PUNCT
cet-15420	24	25	enhanced	enhance	VERB
cet-15420	24	26	prediction	prediction	NOUN
cet-15420	24	27	1015	1015	NUM
cet-15420	24	28	efficiency	efficiency	NOUN
cet-15420	24	29	and	and	CCONJ
cet-15420	24	30	model	model	NOUN
cet-15420	24	31	application	application	NOUN
cet-15420	24	32	in	in	ADP
cet-15420	24	33	industry	industry	NOUN
cet-15420	24	34	.	.	PUNCT
cet-15420	25	1	in	in	ADP
cet-15420	25	2	general	general	ADJ
cet-15420	25	3	industry	industry	NOUN
cet-15420	25	4	practices	practice	NOUN
cet-15420	25	5	,	,	PUNCT
cet-15420	25	6	property	property	NOUN
cet-15420	25	7	ranges	range	NOUN
cet-15420	25	8	of	of	ADP
cet-15420	25	9	substances	substance	NOUN
cet-15420	25	10	are	be	AUX
cet-15420	25	11	chosen	choose	VERB
cet-15420	25	12	to	to	ADP
cet-15420	25	13	fit	fit	ADJ
cet-15420	25	14	processes	process	NOUN
cet-15420	25	15	.	.	PUNCT
cet-15420	26	1	however	however	ADV
cet-15420	26	2	,	,	PUNCT
cet-15420	26	3	the	the	DET
cet-15420	26	4	aforementioned	aforementioned	ADJ
cet-15420	26	5	models	model	NOUN
cet-15420	26	6	predict	predict	VERB
cet-15420	26	7	properties	property	NOUN
cet-15420	26	8	based	base	VERB
cet-15420	26	9	on	on	ADP
cet-15420	26	10	structure	structure	NOUN
cet-15420	26	11	.	.	PUNCT
cet-15420	27	1	for	for	ADP
cet-15420	27	2	realworld	realworld	PROPN
cet-15420	27	3	applications	application	NOUN
cet-15420	27	4	,	,	PUNCT
cet-15420	27	5	new	new	ADJ
cet-15420	27	6	models	model	NOUN
cet-15420	27	7	need	need	VERB
cet-15420	27	8	to	to	PART
cet-15420	27	9	be	be	AUX
cet-15420	27	10	constructed	construct	VERB
cet-15420	27	11	by	by	ADP
cet-15420	27	12	defining	define	VERB
cet-15420	27	13	the	the	DET
cet-15420	27	14	prediction	prediction	NOUN
cet-15420	27	15	target	target	NOUN
cet-15420	27	16	as	as	ADP
cet-15420	27	17	the	the	DET
cet-15420	27	18	substance	substance	NOUN
cet-15420	27	19	structure	structure	NOUN
cet-15420	27	20	(	(	PUNCT
cet-15420	27	21	smiles	smile	NOUN
cet-15420	27	22	)	)	PUNCT
cet-15420	27	23	.	.	PUNCT
cet-15420	28	1	this	this	DET
cet-15420	28	2	research	research	NOUN
cet-15420	28	3	aims	aim	VERB
cet-15420	28	4	to	to	PART
cet-15420	28	5	enhance	enhance	VERB
cet-15420	28	6	predictive	predictive	ADJ
cet-15420	28	7	models	model	NOUN
cet-15420	28	8	using	use	VERB
cet-15420	28	9	machine	machine	NOUN
cet-15420	28	10	learning	learning	NOUN
cet-15420	28	11	by	by	ADP
cet-15420	28	12	conducting	conduct	VERB
cet-15420	28	13	cross	cross	NOUN
cet-15420	28	14	-	-	NOUN
cet-15420	28	15	validation	validation	NOUN
cet-15420	28	16	to	to	PART
cet-15420	28	17	compare	compare	VERB
cet-15420	28	18	model	model	NOUN
cet-15420	28	19	performance	performance	NOUN
cet-15420	28	20	and	and	CCONJ
cet-15420	28	21	applying	apply	VERB
cet-15420	28	22	genetic	genetic	ADJ
cet-15420	28	23	algorithms	algorithm	NOUN
cet-15420	28	24	(	(	PUNCT
cet-15420	28	25	singh	singh	PROPN
cet-15420	28	26	et	et	PROPN
cet-15420	28	27	al	al	PROPN
cet-15420	28	28	.	.	PROPN
cet-15420	28	29	,	,	PUNCT
cet-15420	28	30	2010	2010	NUM
cet-15420	28	31	)	)	PUNCT
cet-15420	28	32	.	.	PUNCT
cet-15420	29	1	genetic	genetic	ADJ
cet-15420	29	2	algorithms	algorithm	NOUN
cet-15420	29	3	,	,	PUNCT
cet-15420	29	4	techniques	technique	NOUN
cet-15420	29	5	for	for	ADP
cet-15420	29	6	finding	find	VERB
cet-15420	29	7	desired	desire	VERB
cet-15420	29	8	values	value	NOUN
cet-15420	29	9	or	or	CCONJ
cet-15420	29	10	problem	problem	NOUN
cet-15420	29	11	solutions	solution	NOUN
cet-15420	29	12	based	base	VERB
cet-15420	29	13	on	on	ADP
cet-15420	29	14	biological	biological	ADJ
cet-15420	29	15	principles	principle	NOUN
cet-15420	29	16	or	or	CCONJ
cet-15420	29	17	natural	natural	ADJ
cet-15420	29	18	selection	selection	NOUN
cet-15420	29	19	(	(	PUNCT
cet-15420	29	20	schiano	schiano	NOUN
cet-15420	29	21	di	di	VERB
cet-15420	29	22	visconte	visconte	NOUN
cet-15420	29	23	et	et	PROPN
cet-15420	29	24	al	al	PROPN
cet-15420	29	25	.	.	PROPN
cet-15420	29	26	,	,	PUNCT
cet-15420	29	27	2019	2019	NUM
cet-15420	29	28	)	)	PUNCT
cet-15420	29	29	,	,	PUNCT
cet-15420	29	30	are	be	AUX
cet-15420	29	31	employed	employ	VERB
cet-15420	29	32	to	to	PART
cet-15420	29	33	identify	identify	VERB
cet-15420	29	34	appropriate	appropriate	ADJ
cet-15420	29	35	property	property	NOUN
cet-15420	29	36	ranges	range	NOUN
cet-15420	29	37	.	.	PUNCT
cet-15420	30	1	2	2	X
cet-15420	30	2	.	.	X
cet-15420	30	3	methodology	methodology	NOUN
cet-15420	30	4	in	in	ADP
cet-15420	30	5	this	this	DET
cet-15420	30	6	study	study	NOUN
cet-15420	30	7	,	,	PUNCT
cet-15420	30	8	the	the	DET
cet-15420	30	9	dataset	dataset	NOUN
cet-15420	30	10	from	from	ADP
cet-15420	30	11	the	the	DET
cet-15420	30	12	work	work	NOUN
cet-15420	30	13	of	of	ADP
cet-15420	30	14	chorbngam	chorbngam	NOUN
cet-15420	30	15	et	et	PROPN
cet-15420	30	16	al	al	PROPN
cet-15420	30	17	.	.	PROPN
cet-15420	30	18	(	(	PUNCT
cet-15420	30	19	2021	2021	NUM
cet-15420	30	20	)	)	PUNCT
cet-15420	30	21	was	be	AUX
cet-15420	30	22	utilised	utilise	VERB
cet-15420	30	23	,	,	PUNCT
cet-15420	30	24	comprising	comprise	VERB
cet-15420	30	25	boiling	boiling	NOUN
cet-15420	30	26	point	point	NOUN
cet-15420	30	27	data	datum	NOUN
cet-15420	30	28	for	for	ADP
cet-15420	30	29	560	560	NUM
cet-15420	30	30	hydrocarbons	hydrocarbon	NOUN
cet-15420	30	31	containing	contain	VERB
cet-15420	30	32	1	1	NUM
cet-15420	30	33	-	-	SYM
cet-15420	30	34	12	12	NUM
cet-15420	30	35	carbon	carbon	NOUN
cet-15420	30	36	atoms	atom	NOUN
cet-15420	30	37	.	.	PUNCT
cet-15420	31	1	the	the	DET
cet-15420	31	2	input	input	NOUN
cet-15420	31	3	features	feature	NOUN
cet-15420	31	4	employed	employ	VERB
cet-15420	31	5	were	be	AUX
cet-15420	31	6	consistent	consistent	ADJ
cet-15420	31	7	with	with	ADP
cet-15420	31	8	those	those	PRON
cet-15420	31	9	utilised	utilise	VERB
cet-15420	31	10	in	in	ADP
cet-15420	31	11	previous	previous	ADJ
cet-15420	31	12	research	research	NOUN
cet-15420	31	13	,	,	PUNCT
cet-15420	31	14	including	include	VERB
cet-15420	31	15	the	the	DET
cet-15420	31	16	number	number	NOUN
cet-15420	31	17	of	of	ADP
cet-15420	31	18	carbon	carbon	NOUN
cet-15420	31	19	atoms	atom	NOUN
cet-15420	31	20	(	(	PUNCT
cet-15420	31	21	'	'	PUNCT
cet-15420	31	22	c	c	NOUN
cet-15420	31	23	'	'	PUNCT
cet-15420	31	24	)	)	PUNCT
cet-15420	31	25	,	,	PUNCT
cet-15420	31	26	double	double	ADJ
cet-15420	31	27	bonds	bond	NOUN
cet-15420	31	28	(	(	PUNCT
cet-15420	31	29	'	'	PUNCT
cet-15420	31	30	=	=	NOUN
cet-15420	31	31	'	'	PUNCT
cet-15420	31	32	)	)	PUNCT
cet-15420	31	33	,	,	PUNCT
cet-15420	31	34	triple	triple	ADJ
cet-15420	31	35	bonds	bond	NOUN
cet-15420	31	36	(	(	PUNCT
cet-15420	31	37	'	'	PUNCT
cet-15420	31	38	#	#	NOUN
cet-15420	31	39	'	'	NUM
cet-15420	31	40	)	)	PUNCT
cet-15420	31	41	,	,	PUNCT
cet-15420	31	42	branches	branch	NOUN
cet-15420	31	43	(	(	PUNCT
cet-15420	31	44	'	'	PUNCT
cet-15420	31	45	(	(	PUNCT
cet-15420	31	46	'	'	NUM
cet-15420	31	47	)	)	PUNCT
cet-15420	31	48	,	,	PUNCT
cet-15420	31	49	and	and	CCONJ
cet-15420	31	50	cyclic	cyclic	ADJ
cet-15420	31	51	structures	structure	NOUN
cet-15420	31	52	(	(	PUNCT
cet-15420	31	53	'	'	PUNCT
cet-15420	31	54	1	1	NUM
cet-15420	31	55	'	'	NUM
cet-15420	31	56	)	)	PUNCT
cet-15420	31	57	.	.	PUNCT
cet-15420	32	1	supervised	supervised	ADJ
cet-15420	32	2	learning	learn	VERB
cet-15420	32	3	was	be	AUX
cet-15420	32	4	conducted	conduct	VERB
cet-15420	32	5	using	use	VERB
cet-15420	32	6	k	k	PROPN
cet-15420	32	7	-	-	PUNCT
cet-15420	32	8	nearest	near	ADJ
cet-15420	32	9	neighbour	neighbour	NOUN
cet-15420	32	10	(	(	PUNCT
cet-15420	32	11	knn	knn	PROPN
cet-15420	32	12	)	)	PUNCT
cet-15420	32	13	,	,	PUNCT
cet-15420	32	14	decision	decision	NOUN
cet-15420	32	15	tree	tree	NOUN
cet-15420	32	16	(	(	PUNCT
cet-15420	32	17	dt	dt	NOUN
cet-15420	32	18	)	)	PUNCT
cet-15420	32	19	,	,	PUNCT
cet-15420	32	20	and	and	CCONJ
cet-15420	32	21	random	random	ADJ
cet-15420	32	22	forest	forest	NOUN
cet-15420	32	23	(	(	PUNCT
cet-15420	32	24	rf	rf	NOUN
cet-15420	32	25	)	)	PUNCT
cet-15420	32	26	algorithms	algorithm	NOUN
cet-15420	32	27	,	,	PUNCT
cet-15420	32	28	with	with	ADP
cet-15420	32	29	performance	performance	NOUN
cet-15420	32	30	enhanced	enhance	VERB
cet-15420	32	31	through	through	ADP
cet-15420	32	32	the	the	DET
cet-15420	32	33	application	application	NOUN
cet-15420	32	34	of	of	ADP
cet-15420	32	35	the	the	DET
cet-15420	32	36	cross	cross	ADJ
cet-15420	32	37	-	-	ADJ
cet-15420	32	38	validation	validation	ADJ
cet-15420	32	39	technique	technique	NOUN
cet-15420	32	40	.	.	PUNCT
cet-15420	33	1	a	a	DET
cet-15420	33	2	genetic	genetic	ADJ
cet-15420	33	3	algorithm	algorithm	NOUN
cet-15420	33	4	was	be	AUX
cet-15420	33	5	subsequently	subsequently	ADV
cet-15420	33	6	applied	apply	VERB
cet-15420	33	7	to	to	PART
cet-15420	33	8	perform	perform	VERB
cet-15420	33	9	the	the	DET
cet-15420	33	10	backward	backward	ADJ
cet-15420	33	11	estimation	estimation	NOUN
cet-15420	33	12	of	of	ADP
cet-15420	33	13	a	a	DET
cet-15420	33	14	compound	compound	NOUN
cet-15420	33	15	's	's	PART
cet-15420	33	16	structure	structure	NOUN
cet-15420	33	17	based	base	VERB
cet-15420	33	18	on	on	ADP
cet-15420	33	19	the	the	DET
cet-15420	33	20	target	target	NOUN
cet-15420	33	21	property	property	NOUN
cet-15420	33	22	.	.	PUNCT
cet-15420	34	1	2.1	2.1	NUM
cet-15420	34	2	model	model	NOUN
cet-15420	34	3	development	development	NOUN
cet-15420	34	4	and	and	CCONJ
cet-15420	34	5	cross	cross	VERB
cet-15420	34	6	validation	validation	NOUN
cet-15420	34	7	the	the	DET
cet-15420	34	8	cross	cross	ADJ
cet-15420	34	9	-	-	ADJ
cet-15420	34	10	validation	validation	ADJ
cet-15420	34	11	technique	technique	NOUN
cet-15420	34	12	was	be	AUX
cet-15420	34	13	employed	employ	VERB
cet-15420	34	14	to	to	PART
cet-15420	34	15	identify	identify	VERB
cet-15420	34	16	the	the	DET
cet-15420	34	17	most	most	ADV
cet-15420	34	18	suitable	suitable	ADJ
cet-15420	34	19	algorithm	algorithm	NOUN
cet-15420	34	20	for	for	ADP
cet-15420	34	21	prediction	prediction	NOUN
cet-15420	34	22	.	.	PUNCT
cet-15420	35	1	crossvalidation	crossvalidation	NOUN
cet-15420	35	2	,	,	PUNCT
cet-15420	35	3	as	as	SCONJ
cet-15420	35	4	described	describe	VERB
cet-15420	35	5	by	by	ADP
cet-15420	35	6	refaeilzadeh	refaeilzadeh	PROPN
cet-15420	35	7	et	et	PROPN
cet-15420	35	8	al	al	PROPN
cet-15420	35	9	.	.	PUNCT
cet-15420	35	10	(	(	PUNCT
cet-15420	35	11	2009	2009	NUM
cet-15420	35	12	)	)	PUNCT
cet-15420	35	13	,	,	PUNCT
cet-15420	35	14	is	be	AUX
cet-15420	35	15	a	a	DET
cet-15420	35	16	method	method	NOUN
cet-15420	35	17	used	use	VERB
cet-15420	35	18	to	to	PART
cet-15420	35	19	estimate	estimate	VERB
cet-15420	35	20	a	a	DET
cet-15420	35	21	model	model	NOUN
cet-15420	35	22	's	's	PART
cet-15420	35	23	performance	performance	NOUN
cet-15420	35	24	on	on	ADP
cet-15420	35	25	unseen	unseen	ADJ
cet-15420	35	26	data	datum	NOUN
cet-15420	35	27	.	.	PUNCT
cet-15420	36	1	this	this	DET
cet-15420	36	2	approach	approach	NOUN
cet-15420	36	3	involves	involve	VERB
cet-15420	36	4	partitioning	partition	VERB
cet-15420	36	5	the	the	DET
cet-15420	36	6	dataset	dataset	NOUN
cet-15420	36	7	into	into	ADP
cet-15420	36	8	multiple	multiple	ADJ
cet-15420	36	9	segments	segment	NOUN
cet-15420	36	10	,	,	PUNCT
cet-15420	36	11	training	train	VERB
cet-15420	36	12	the	the	DET
cet-15420	36	13	model	model	NOUN
cet-15420	36	14	on	on	ADP
cet-15420	36	15	a	a	DET
cet-15420	36	16	subset	subset	NOUN
cet-15420	36	17	of	of	ADP
cet-15420	36	18	these	these	DET
cet-15420	36	19	segments	segment	NOUN
cet-15420	36	20	,	,	PUNCT
cet-15420	36	21	and	and	CCONJ
cet-15420	36	22	subsequently	subsequently	ADV
cet-15420	36	23	testing	test	VERB
cet-15420	36	24	it	it	PRON
cet-15420	36	25	on	on	ADP
cet-15420	36	26	the	the	DET
cet-15420	36	27	remaining	remain	VERB
cet-15420	36	28	segment	segment	NOUN
cet-15420	36	29	,	,	PUNCT
cet-15420	36	30	as	as	SCONJ
cet-15420	36	31	illustrated	illustrate	VERB
cet-15420	36	32	in	in	ADP
cet-15420	36	33	figure	figure	NOUN
cet-15420	36	34	1	1	NUM
cet-15420	36	35	.	.	PUNCT
cet-15420	37	1	the	the	DET
cet-15420	37	2	procedure	procedure	NOUN
cet-15420	37	3	is	be	AUX
cet-15420	37	4	repeated	repeat	VERB
cet-15420	37	5	with	with	ADP
cet-15420	37	6	varying	vary	VERB
cet-15420	37	7	subsets	subset	NOUN
cet-15420	37	8	,	,	PUNCT
cet-15420	37	9	and	and	CCONJ
cet-15420	37	10	the	the	DET
cet-15420	37	11	results	result	NOUN
cet-15420	37	12	are	be	AUX
cet-15420	37	13	averaged	average	VERB
cet-15420	37	14	to	to	PART
cet-15420	37	15	obtain	obtain	VERB
cet-15420	37	16	a	a	DET
cet-15420	37	17	robust	robust	ADJ
cet-15420	37	18	measure	measure	NOUN
cet-15420	37	19	of	of	ADP
cet-15420	37	20	model	model	NOUN
cet-15420	37	21	performance	performance	NOUN
cet-15420	37	22	.	.	PUNCT
cet-15420	38	1	the	the	DET
cet-15420	38	2	primary	primary	ADJ
cet-15420	38	3	objective	objective	NOUN
cet-15420	38	4	is	be	AUX
cet-15420	38	5	to	to	PART
cet-15420	38	6	mitigate	mitigate	VERB
cet-15420	38	7	overfitting	overfitting	NOUN
cet-15420	38	8	,	,	PUNCT
cet-15420	38	9	where	where	SCONJ
cet-15420	38	10	a	a	DET
cet-15420	38	11	model	model	NOUN
cet-15420	38	12	demonstrates	demonstrate	VERB
cet-15420	38	13	strong	strong	ADJ
cet-15420	38	14	performance	performance	NOUN
cet-15420	38	15	on	on	ADP
cet-15420	38	16	training	training	NOUN
cet-15420	38	17	data	datum	NOUN
cet-15420	38	18	but	but	CCONJ
cet-15420	38	19	performs	perform	VERB
cet-15420	38	20	poorly	poorly	ADV
cet-15420	38	21	on	on	ADP
cet-15420	38	22	new	new	ADJ
cet-15420	38	23	data	datum	NOUN
cet-15420	38	24	.	.	PUNCT
cet-15420	39	1	for	for	ADP
cet-15420	39	2	this	this	DET
cet-15420	39	3	study	study	NOUN
cet-15420	39	4	,	,	PUNCT
cet-15420	39	5	the	the	DET
cet-15420	39	6	dataset	dataset	NOUN
cet-15420	39	7	was	be	AUX
cet-15420	39	8	initially	initially	ADV
cet-15420	39	9	divided	divide	VERB
cet-15420	39	10	into	into	ADP
cet-15420	39	11	a	a	DET
cet-15420	39	12	training	training	NOUN
cet-15420	39	13	set	set	NOUN
cet-15420	39	14	and	and	CCONJ
cet-15420	39	15	a	a	DET
cet-15420	39	16	test	test	NOUN
cet-15420	39	17	set	set	NOUN
cet-15420	39	18	,	,	PUNCT
cet-15420	39	19	with	with	ADP
cet-15420	39	20	460	460	NUM
cet-15420	39	21	out	out	ADP
cet-15420	39	22	of	of	ADP
cet-15420	39	23	560	560	NUM
cet-15420	39	24	data	datum	NOUN
cet-15420	39	25	points	point	NOUN
cet-15420	39	26	randomly	randomly	ADV
cet-15420	39	27	selected	select	VERB
cet-15420	39	28	for	for	ADP
cet-15420	39	29	training	training	NOUN
cet-15420	39	30	.	.	PUNCT
cet-15420	40	1	within	within	ADP
cet-15420	40	2	the	the	DET
cet-15420	40	3	training	training	NOUN
cet-15420	40	4	set	set	NOUN
cet-15420	40	5	,	,	PUNCT
cet-15420	40	6	the	the	DET
cet-15420	40	7	data	datum	NOUN
cet-15420	40	8	were	be	AUX
cet-15420	40	9	further	far	ADV
cet-15420	40	10	partitioned	partition	VERB
cet-15420	40	11	into	into	ADP
cet-15420	40	12	five	five	NUM
cet-15420	40	13	segments	segment	NOUN
cet-15420	40	14	to	to	PART
cet-15420	40	15	facilitate	facilitate	VERB
cet-15420	40	16	algorithm	algorithm	NOUN
cet-15420	40	17	tuning	tuning	NOUN
cet-15420	40	18	and	and	CCONJ
cet-15420	40	19	evaluation	evaluation	NOUN
cet-15420	40	20	.	.	PUNCT
cet-15420	41	1	the	the	DET
cet-15420	41	2	remaining	remain	VERB
cet-15420	41	3	100	100	NUM
cet-15420	41	4	data	datum	NOUN
cet-15420	41	5	points	point	NOUN
cet-15420	41	6	constituted	constitute	VERB
cet-15420	41	7	the	the	DET
cet-15420	41	8	test	test	NOUN
cet-15420	41	9	set	set	VERB
cet-15420	41	10	and	and	CCONJ
cet-15420	41	11	were	be	AUX
cet-15420	41	12	used	use	VERB
cet-15420	41	13	to	to	PART
cet-15420	41	14	estimate	estimate	VERB
cet-15420	41	15	the	the	DET
cet-15420	41	16	performance	performance	NOUN
cet-15420	41	17	of	of	ADP
cet-15420	41	18	the	the	DET
cet-15420	41	19	final	final	ADJ
cet-15420	41	20	model	model	NOUN
cet-15420	41	21	.	.	PUNCT
cet-15420	42	1	the	the	DET
cet-15420	42	2	constructed	construct	VERB
cet-15420	42	3	model	model	NOUN
cet-15420	42	4	was	be	AUX
cet-15420	42	5	subsequently	subsequently	ADV
cet-15420	42	6	employed	employ	VERB
cet-15420	42	7	in	in	ADP
cet-15420	42	8	the	the	DET
cet-15420	42	9	genetic	genetic	ADJ
cet-15420	42	10	algorithm	algorithm	NOUN
cet-15420	42	11	.	.	PUNCT
cet-15420	43	1	figure	figure	NOUN
cet-15420	43	2	1	1	NUM
cet-15420	43	3	:	:	PUNCT
cet-15420	43	4	cross	cross	ADJ
cet-15420	43	5	-	-	ADJ
cet-15420	43	6	validation	validation	ADJ
cet-15420	43	7	2.2	2.2	NUM
cet-15420	43	8	genetic	genetic	ADJ
cet-15420	43	9	algorithm	algorithm	NOUN
cet-15420	43	10	genetic	genetic	ADJ
cet-15420	43	11	algorithm	algorithm	NOUN
cet-15420	43	12	(	(	PUNCT
cet-15420	43	13	ga	ga	PROPN
cet-15420	43	14	)	)	PUNCT
cet-15420	43	15	,	,	PUNCT
cet-15420	43	16	a	a	DET
cet-15420	43	17	subset	subset	NOUN
cet-15420	43	18	of	of	ADP
cet-15420	43	19	evolutionary	evolutionary	ADJ
cet-15420	43	20	algorithms	algorithm	NOUN
cet-15420	43	21	(	(	PUNCT
cet-15420	43	22	eas	ea	NOUN
cet-15420	43	23	)	)	PUNCT
cet-15420	43	24	,	,	PUNCT
cet-15420	43	25	are	be	AUX
cet-15420	43	26	adaptive	adaptive	ADJ
cet-15420	43	27	search	search	NOUN
cet-15420	43	28	methods	method	NOUN
cet-15420	43	29	inspired	inspire	VERB
cet-15420	43	30	by	by	ADP
cet-15420	43	31	natural	natural	ADJ
cet-15420	43	32	selection	selection	NOUN
cet-15420	43	33	,	,	PUNCT
cet-15420	43	34	widely	widely	ADV
cet-15420	43	35	used	use	VERB
cet-15420	43	36	for	for	ADP
cet-15420	43	37	optimization	optimization	NOUN
cet-15420	43	38	and	and	CCONJ
cet-15420	43	39	search	search	NOUN
cet-15420	43	40	problems	problem	NOUN
cet-15420	43	41	.	.	PUNCT
cet-15420	44	1	these	these	DET
cet-15420	44	2	algorithms	algorithm	NOUN
cet-15420	44	3	evolve	evolve	VERB
cet-15420	44	4	a	a	DET
cet-15420	44	5	population	population	NOUN
cet-15420	44	6	of	of	ADP
cet-15420	44	7	candidate	candidate	NOUN
cet-15420	44	8	solutions	solution	NOUN
cet-15420	44	9	(	(	PUNCT
cet-15420	44	10	individuals	individual	NOUN
cet-15420	44	11	)	)	PUNCT
cet-15420	44	12	through	through	ADP
cet-15420	44	13	operators	operator	NOUN
cet-15420	44	14	such	such	ADJ
cet-15420	44	15	as	as	ADP
cet-15420	44	16	selection	selection	NOUN
cet-15420	44	17	,	,	PUNCT
cet-15420	44	18	crossover	crossover	NOUN
cet-15420	44	19	,	,	PUNCT
cet-15420	44	20	and	and	CCONJ
cet-15420	44	21	mutation	mutation	NOUN
cet-15420	44	22	(	(	PUNCT
cet-15420	44	23	holland	holland	PROPN
cet-15420	44	24	,	,	PUNCT
cet-15420	44	25	1992	1992	NUM
cet-15420	44	26	)	)	PUNCT
cet-15420	44	27	.	.	PUNCT
cet-15420	45	1	1016	1016	NUM
cet-15420	45	2	the	the	DET
cet-15420	45	3	process	process	NOUN
cet-15420	45	4	begins	begin	VERB
cet-15420	45	5	with	with	ADP
cet-15420	45	6	randomly	randomly	ADV
cet-15420	45	7	generated	generate	VERB
cet-15420	45	8	individuals	individual	NOUN
cet-15420	45	9	,	,	PUNCT
cet-15420	45	10	whose	whose	DET
cet-15420	45	11	fitness	fitness	NOUN
cet-15420	45	12	is	be	AUX
cet-15420	45	13	evaluated	evaluate	VERB
cet-15420	45	14	using	use	VERB
cet-15420	45	15	an	an	DET
cet-15420	45	16	objective	objective	ADJ
cet-15420	45	17	function	function	NOUN
cet-15420	45	18	.	.	PUNCT
cet-15420	46	1	the	the	DET
cet-15420	46	2	fittest	fit	ADJ
cet-15420	46	3	individuals	individual	NOUN
cet-15420	46	4	are	be	AUX
cet-15420	46	5	selected	select	VERB
cet-15420	46	6	to	to	PART
cet-15420	46	7	reproduce	reproduce	VERB
cet-15420	46	8	,	,	PUNCT
cet-15420	46	9	forming	form	VERB
cet-15420	46	10	successive	successive	ADJ
cet-15420	46	11	generations	generation	NOUN
cet-15420	46	12	.	.	PUNCT
cet-15420	47	1	this	this	DET
cet-15420	47	2	iterative	iterative	NOUN
cet-15420	47	3	process	process	NOUN
cet-15420	47	4	continues	continue	VERB
cet-15420	47	5	until	until	SCONJ
cet-15420	47	6	a	a	DET
cet-15420	47	7	satisfactory	satisfactory	ADJ
cet-15420	47	8	fitness	fitness	NOUN
cet-15420	47	9	level	level	NOUN
cet-15420	47	10	is	be	AUX
cet-15420	47	11	achieved	achieve	VERB
cet-15420	47	12	or	or	CCONJ
cet-15420	47	13	a	a	DET
cet-15420	47	14	predefined	predefine	VERB
cet-15420	47	15	number	number	NOUN
cet-15420	47	16	of	of	ADP
cet-15420	47	17	generations	generation	NOUN
cet-15420	47	18	is	be	AUX
cet-15420	47	19	reached	reach	VERB
cet-15420	47	20	(	(	PUNCT
cet-15420	47	21	goldberg	goldberg	PROPN
cet-15420	47	22	,	,	PUNCT
cet-15420	47	23	1989	1989	NUM
cet-15420	47	24	)	)	PUNCT
cet-15420	47	25	,	,	PUNCT
cet-15420	47	26	as	as	SCONJ
cet-15420	47	27	illustrated	illustrate	VERB
cet-15420	47	28	in	in	ADP
cet-15420	47	29	figure	figure	NOUN
cet-15420	47	30	2	2	NUM
cet-15420	47	31	.	.	PUNCT
cet-15420	47	32	figure	figure	NOUN
cet-15420	47	33	2	2	NUM
cet-15420	47	34	:	:	PUNCT
cet-15420	47	35	genetic	genetic	ADJ
cet-15420	47	36	algorithm	algorithm	NOUN
cet-15420	47	37	the	the	DET
cet-15420	47	38	application	application	NOUN
cet-15420	47	39	of	of	ADP
cet-15420	47	40	the	the	DET
cet-15420	47	41	genetic	genetic	ADJ
cet-15420	47	42	algorithm	algorithm	NOUN
cet-15420	47	43	to	to	PART
cet-15420	47	44	generate	generate	VERB
cet-15420	47	45	chemicals	chemical	NOUN
cet-15420	47	46	with	with	ADP
cet-15420	47	47	desirable	desirable	ADJ
cet-15420	47	48	properties	property	NOUN
cet-15420	47	49	,	,	PUNCT
cet-15420	47	50	as	as	SCONJ
cet-15420	47	51	illustrated	illustrate	VERB
cet-15420	47	52	in	in	ADP
cet-15420	47	53	figure	figure	NOUN
cet-15420	47	54	3	3	NUM
cet-15420	47	55	,	,	PUNCT
cet-15420	47	56	comprises	comprise	VERB
cet-15420	47	57	five	five	NUM
cet-15420	47	58	steps	step	NOUN
cet-15420	47	59	:	:	PUNCT
cet-15420	47	60	initialization	initialization	NOUN
cet-15420	47	61	,	,	PUNCT
cet-15420	47	62	population	population	NOUN
cet-15420	47	63	,	,	PUNCT
cet-15420	47	64	selection	selection	NOUN
cet-15420	47	65	,	,	PUNCT
cet-15420	47	66	crossover	crossover	NOUN
cet-15420	47	67	,	,	PUNCT
cet-15420	47	68	and	and	CCONJ
cet-15420	47	69	mutation	mutation	NOUN
cet-15420	47	70	.	.	PUNCT
cet-15420	48	1	figure	figure	NOUN
cet-15420	48	2	3	3	NUM
cet-15420	48	3	:	:	PUNCT
cet-15420	48	4	genetic	genetic	ADJ
cet-15420	48	5	algorithm	algorithm	NOUN
cet-15420	48	6	methodology	methodology	NOUN
cet-15420	48	7	for	for	ADP
cet-15420	48	8	chemical	chemical	NOUN
cet-15420	48	9	structure	structure	NOUN
cet-15420	48	10	generation	generation	NOUN
cet-15420	48	11	the	the	DET
cet-15420	48	12	process	process	NOUN
cet-15420	48	13	begins	begin	VERB
cet-15420	48	14	with	with	ADP
cet-15420	48	15	initialization	initialization	NOUN
cet-15420	48	16	,	,	PUNCT
cet-15420	48	17	where	where	SCONJ
cet-15420	48	18	the	the	DET
cet-15420	48	19	target	target	NOUN
cet-15420	48	20	property	property	NOUN
cet-15420	48	21	value	value	NOUN
cet-15420	48	22	is	be	AUX
cet-15420	48	23	specified	specify	VERB
cet-15420	48	24	.	.	PUNCT
cet-15420	49	1	during	during	ADP
cet-15420	49	2	the	the	DET
cet-15420	49	3	population	population	NOUN
cet-15420	49	4	step	step	NOUN
cet-15420	49	5	,	,	PUNCT
cet-15420	49	6	60	60	NUM
cet-15420	49	7	chemical	chemical	NOUN
cet-15420	49	8	compounds	compound	NOUN
cet-15420	49	9	with	with	ADP
cet-15420	49	10	varied	varied	ADJ
cet-15420	49	11	structures	structure	NOUN
cet-15420	49	12	are	be	AUX
cet-15420	49	13	randomly	randomly	ADV
cet-15420	49	14	generated	generate	VERB
cet-15420	49	15	.	.	PUNCT
cet-15420	50	1	in	in	ADP
cet-15420	50	2	the	the	DET
cet-15420	50	3	subsequent	subsequent	ADJ
cet-15420	50	4	selection	selection	NOUN
cet-15420	50	5	step	step	NOUN
cet-15420	50	6	,	,	PUNCT
cet-15420	50	7	20	20	NUM
cet-15420	50	8	compounds	compound	NOUN
cet-15420	50	9	with	with	ADP
cet-15420	50	10	properties	property	NOUN
cet-15420	50	11	closest	close	ADJ
cet-15420	50	12	to	to	ADP
cet-15420	50	13	the	the	DET
cet-15420	50	14	target	target	NOUN
cet-15420	50	15	are	be	AUX
cet-15420	50	16	screened	screen	VERB
cet-15420	50	17	.	.	PUNCT
cet-15420	51	1	if	if	SCONJ
cet-15420	51	2	the	the	DET
cet-15420	51	3	target	target	NOUN
cet-15420	51	4	property	property	NOUN
cet-15420	51	5	is	be	AUX
cet-15420	51	6	achieved	achieve	VERB
cet-15420	51	7	during	during	ADP
cet-15420	51	8	this	this	DET
cet-15420	51	9	step	step	NOUN
cet-15420	51	10	,	,	PUNCT
cet-15420	51	11	the	the	DET
cet-15420	51	12	process	process	NOUN
cet-15420	51	13	terminates	terminate	VERB
cet-15420	51	14	.	.	PUNCT
cet-15420	52	1	if	if	SCONJ
cet-15420	52	2	not	not	PART
cet-15420	52	3	,	,	PUNCT
cet-15420	52	4	the	the	DET
cet-15420	52	5	procedure	procedure	NOUN
cet-15420	52	6	advances	advance	VERB
cet-15420	52	7	to	to	ADP
cet-15420	52	8	the	the	DET
cet-15420	52	9	next	next	ADJ
cet-15420	52	10	phase	phase	NOUN
cet-15420	52	11	.	.	PUNCT
cet-15420	53	1	in	in	ADP
cet-15420	53	2	the	the	DET
cet-15420	53	3	crossover	crossover	NOUN
cet-15420	53	4	step	step	NOUN
cet-15420	53	5	,	,	PUNCT
cet-15420	53	6	the	the	DET
cet-15420	53	7	structures	structure	NOUN
cet-15420	53	8	of	of	ADP
cet-15420	53	9	the	the	DET
cet-15420	53	10	selected	select	VERB
cet-15420	53	11	compounds	compound	NOUN
cet-15420	53	12	are	be	AUX
cet-15420	53	13	combined	combine	VERB
cet-15420	53	14	with	with	ADP
cet-15420	53	15	each	each	DET
cet-15420	53	16	other	other	ADJ
cet-15420	53	17	.	.	PUNCT
cet-15420	54	1	while	while	SCONJ
cet-15420	54	2	the	the	DET
cet-15420	54	3	number	number	NOUN
cet-15420	54	4	of	of	ADP
cet-15420	54	5	carbon	carbon	NOUN
cet-15420	54	6	atoms	atom	NOUN
cet-15420	54	7	remains	remain	VERB
cet-15420	54	8	fixed	fix	VERB
cet-15420	54	9	,	,	PUNCT
cet-15420	54	10	other	other	ADJ
cet-15420	54	11	features	feature	NOUN
cet-15420	54	12	are	be	AUX
cet-15420	54	13	subject	subject	ADJ
cet-15420	54	14	to	to	ADP
cet-15420	54	15	crossover	crossover	NOUN
cet-15420	54	16	.	.	PUNCT
cet-15420	55	1	duplicate	duplicate	ADJ
cet-15420	55	2	compounds	compound	NOUN
cet-15420	55	3	are	be	AUX
cet-15420	55	4	eliminated	eliminate	VERB
cet-15420	55	5	before	before	SCONJ
cet-15420	55	6	the	the	DET
cet-15420	55	7	selection	selection	NOUN
cet-15420	55	8	step	step	NOUN
cet-15420	55	9	is	be	AUX
cet-15420	55	10	repeated	repeat	VERB
cet-15420	55	11	.	.	PUNCT
cet-15420	56	1	depending	depend	VERB
cet-15420	56	2	on	on	ADP
cet-15420	56	3	the	the	DET
cet-15420	56	4	outcomes	outcome	NOUN
cet-15420	56	5	of	of	ADP
cet-15420	56	6	the	the	DET
cet-15420	56	7	selection	selection	NOUN
cet-15420	56	8	step	step	NOUN
cet-15420	56	9	,	,	PUNCT
cet-15420	56	10	the	the	DET
cet-15420	56	11	screened	screen	VERB
cet-15420	56	12	1017	1017	NUM
cet-15420	56	13	compounds	compound	NOUN
cet-15420	56	14	proceed	proceed	VERB
cet-15420	56	15	to	to	ADP
cet-15420	56	16	the	the	DET
cet-15420	56	17	mutation	mutation	NOUN
cet-15420	56	18	step	step	NOUN
cet-15420	56	19	,	,	PUNCT
cet-15420	56	20	where	where	SCONJ
cet-15420	56	21	only	only	ADV
cet-15420	56	22	a	a	DET
cet-15420	56	23	single	single	ADJ
cet-15420	56	24	feature	feature	NOUN
cet-15420	56	25	is	be	AUX
cet-15420	56	26	allowed	allow	VERB
cet-15420	56	27	to	to	PART
cet-15420	56	28	change	change	VERB
cet-15420	56	29	.	.	PUNCT
cet-15420	57	1	duplicates	duplicate	NOUN
cet-15420	57	2	are	be	AUX
cet-15420	57	3	again	again	ADV
cet-15420	57	4	removed	remove	VERB
cet-15420	57	5	before	before	ADP
cet-15420	57	6	returning	return	VERB
cet-15420	57	7	to	to	ADP
cet-15420	57	8	the	the	DET
cet-15420	57	9	selection	selection	NOUN
cet-15420	57	10	step	step	NOUN
cet-15420	57	11	.	.	PUNCT
cet-15420	58	1	this	this	DET
cet-15420	58	2	iterative	iterative	NOUN
cet-15420	58	3	process	process	NOUN
cet-15420	58	4	continues	continue	VERB
cet-15420	58	5	until	until	SCONJ
cet-15420	58	6	a	a	DET
cet-15420	58	7	compound	compound	NOUN
cet-15420	58	8	with	with	ADP
cet-15420	58	9	the	the	DET
cet-15420	58	10	desired	desire	VERB
cet-15420	58	11	property	property	NOUN
cet-15420	58	12	is	be	AUX
cet-15420	58	13	identified	identify	VERB
cet-15420	58	14	,	,	PUNCT
cet-15420	58	15	with	with	SCONJ
cet-15420	58	16	the	the	DET
cet-15420	58	17	number	number	NOUN
cet-15420	58	18	of	of	ADP
cet-15420	58	19	iterations	iteration	NOUN
cet-15420	58	20	capped	cap	VERB
cet-15420	58	21	at	at	ADP
cet-15420	58	22	100	100	NUM
cet-15420	58	23	to	to	PART
cet-15420	58	24	manage	manage	VERB
cet-15420	58	25	computational	computational	ADJ
cet-15420	58	26	time	time	NOUN
cet-15420	58	27	.	.	PUNCT
cet-15420	59	1	2.3	2.3	NUM
cet-15420	59	2	data	datum	NOUN
cet-15420	59	3	analysis	analysis	NOUN
cet-15420	59	4	the	the	DET
cet-15420	59	5	performance	performance	NOUN
cet-15420	59	6	of	of	ADP
cet-15420	59	7	the	the	DET
cet-15420	59	8	predicted	predict	VERB
cet-15420	59	9	boiling	boiling	NOUN
cet-15420	59	10	point	point	NOUN
cet-15420	59	11	in	in	ADP
cet-15420	59	12	this	this	DET
cet-15420	59	13	method	method	NOUN
cet-15420	59	14	was	be	AUX
cet-15420	59	15	evaluated	evaluate	VERB
cet-15420	59	16	using	use	VERB
cet-15420	59	17	root	root	NOUN
cet-15420	59	18	mean	mean	ADJ
cet-15420	59	19	square	square	ADJ
cet-15420	59	20	error	error	NOUN
cet-15420	59	21	(	(	PUNCT
cet-15420	59	22	rmse	rmse	NOUN
cet-15420	59	23	)	)	PUNCT
cet-15420	59	24	,	,	PUNCT
cet-15420	59	25	mean	mean	VERB
cet-15420	59	26	absolute	absolute	ADJ
cet-15420	59	27	percentage	percentage	NOUN
cet-15420	59	28	error	error	NOUN
cet-15420	59	29	(	(	PUNCT
cet-15420	59	30	mape	mape	NOUN
cet-15420	59	31	)	)	PUNCT
cet-15420	59	32	,	,	PUNCT
cet-15420	59	33	and	and	CCONJ
cet-15420	59	34	the	the	DET
cet-15420	59	35	coefficient	coefficient	NOUN
cet-15420	59	36	of	of	ADP
cet-15420	59	37	determination	determination	NOUN
cet-15420	59	38	(	(	PUNCT
cet-15420	59	39	r²	r²	PROPN
cet-15420	59	40	)	)	PUNCT
cet-15420	59	41	,	,	PUNCT
cet-15420	59	42	calculated	calculate	VERB
cet-15420	59	43	using	use	VERB
cet-15420	59	44	equations	equation	NOUN
cet-15420	59	45	(	(	PUNCT
cet-15420	59	46	1)-(3	1)-(3	NUM
cet-15420	59	47	)	)	PUNCT
cet-15420	59	48	,	,	PUNCT
cet-15420	59	49	respectively	respectively	ADV
cet-15420	59	50	.	.	PUNCT
cet-15420	60	1	(	(	PUNCT
cet-15420	60	2	)	)	PUNCT
cet-15420	60	3	2	2	NUM
cet-15420	60	4	1	1	NUM
cet-15420	60	5	1	1	NUM
cet-15420	60	6	n	n	NOUN
cet-15420	61	1	i	i	PRON
cet-15420	62	1	i	i	PRON
cet-15420	63	1	i	i	PRON
cet-15420	63	2	rmse	rmse	VERB
cet-15420	63	3	t	t	PROPN
cet-15420	63	4	t	t	PROPN
cet-15420	63	5	n	n	NOUN
cet-15420	63	6	=	=	SYM
cet-15420	63	7	=	=	SYM
cet-15420	63	8	−	−	NOUN
cet-15420	63	9	(	(	PUNCT
cet-15420	63	10	1	1	NUM
cet-15420	63	11	)	)	SYM
cet-15420	63	12	1	1	NUM
cet-15420	63	13	1	1	NUM
cet-15420	63	14	100	100	NUM
cet-15420	63	15	n	n	NUM
cet-15420	64	1	i	i	PRON
cet-15420	64	2	i	i	PRON
cet-15420	65	1	i	i	PRON
cet-15420	66	1	i	i	PRON
cet-15420	66	2	t	t	PROPN
cet-15420	66	3	t	t	PROPN
cet-15420	66	4	mape	mape	NOUN
cet-15420	66	5	n	n	CCONJ
cet-15420	66	6	t=	t=	NOUN
cet-15420	66	7	−	−	PROPN
cet-15420	67	1	=	=	SYM
cet-15420	67	2			X
cet-15420	67	3	(	(	PUNCT
cet-15420	67	4	2	2	X
cet-15420	67	5	)	)	PUNCT
cet-15420	67	6	(	(	PUNCT
cet-15420	67	7	)	)	PUNCT
cet-15420	67	8	(	(	PUNCT
cet-15420	67	9	)	)	PUNCT
cet-15420	67	10	2	2	NUM
cet-15420	67	11	2	2	NUM
cet-15420	67	12	2	2	NUM
cet-15420	67	13	1	1	NUM
cet-15420	68	1	i	i	PRON
cet-15420	68	2	i	i	PRON
cet-15420	69	1	i	i	PRON
cet-15420	69	2	t	t	X
cet-15420	69	3	t	t	NOUN
cet-15420	69	4	r	r	NOUN
cet-15420	69	5	t	t	PROPN
cet-15420	69	6	t	t	NOUN
cet-15420	69	7	−	−	PROPN
cet-15420	70	1	=	=	SYM
cet-15420	70	2	−	−	PROPN
cet-15420	70	3	−	−	NOUN
cet-15420	70	4			X
cet-15420	70	5			X
cet-15420	70	6	(	(	PUNCT
cet-15420	70	7	3	3	X
cet-15420	70	8	)	)	PUNCT
cet-15420	70	9	where	where	SCONJ
cet-15420	70	10	it	it	PRON
cet-15420	70	11	represents	represent	VERB
cet-15420	70	12	the	the	DET
cet-15420	70	13	actual	actual	ADJ
cet-15420	70	14	boiling	boiling	NOUN
cet-15420	70	15	point	point	NOUN
cet-15420	70	16	,	,	PUNCT
cet-15420	70	17	it	it	PRON
cet-15420	70	18	denotes	denote	VERB
cet-15420	70	19	the	the	DET
cet-15420	70	20	predicted	predict	VERB
cet-15420	70	21	boiling	boiling	NOUN
cet-15420	70	22	point	point	NOUN
cet-15420	70	23	,	,	PUNCT
cet-15420	70	24	and	and	CCONJ
cet-15420	70	25	t	t	PROPN
cet-15420	70	26	indicates	indicate	VERB
cet-15420	70	27	the	the	DET
cet-15420	70	28	average	average	ADJ
cet-15420	70	29	boiling	boiling	NOUN
cet-15420	70	30	point	point	NOUN
cet-15420	70	31	across	across	ADP
cet-15420	70	32	the	the	DET
cet-15420	70	33	dataset	dataset	NOUN
cet-15420	70	34	.	.	PUNCT
cet-15420	71	1	3	3	X
cet-15420	71	2	.	.	X
cet-15420	71	3	results	result	NOUN
cet-15420	71	4	and	and	CCONJ
cet-15420	71	5	discussions	discussion	NOUN
cet-15420	71	6	3.1	3.1	NUM
cet-15420	71	7	model	model	NOUN
cet-15420	71	8	refinement	refinement	NOUN
cet-15420	71	9	with	with	ADP
cet-15420	71	10	cross	cross	NOUN
cet-15420	71	11	-	-	NOUN
cet-15420	71	12	validation	validation	NOUN
cet-15420	71	13	as	as	SCONJ
cet-15420	71	14	stated	state	VERB
cet-15420	71	15	in	in	ADP
cet-15420	71	16	previous	previous	ADJ
cet-15420	71	17	research	research	NOUN
cet-15420	71	18	(	(	PUNCT
cet-15420	71	19	chorbngam	chorbngam	NOUN
cet-15420	71	20	et	et	PROPN
cet-15420	71	21	al	al	PROPN
cet-15420	71	22	.	.	PROPN
cet-15420	71	23	,	,	PUNCT
cet-15420	71	24	2021	2021	NUM
cet-15420	71	25	)	)	PUNCT
cet-15420	71	26	,	,	PUNCT
cet-15420	71	27	a	a	DET
cet-15420	71	28	comparison	comparison	NOUN
cet-15420	71	29	of	of	ADP
cet-15420	71	30	results	result	NOUN
cet-15420	71	31	with	with	ADP
cet-15420	71	32	conventional	conventional	ADJ
cet-15420	71	33	groupcontribution	groupcontribution	NOUN
cet-15420	71	34	methods	method	NOUN
cet-15420	71	35	,	,	PUNCT
cet-15420	71	36	such	such	ADJ
cet-15420	71	37	as	as	ADP
cet-15420	71	38	the	the	DET
cet-15420	71	39	works	work	NOUN
cet-15420	71	40	of	of	ADP
cet-15420	71	41	marrero	marrero	PROPN
cet-15420	71	42	and	and	CCONJ
cet-15420	71	43	gani	gani	PROPN
cet-15420	71	44	(	(	PUNCT
cet-15420	71	45	2001	2001	NUM
cet-15420	71	46	)	)	PUNCT
cet-15420	71	47	,	,	PUNCT
cet-15420	71	48	constantinou	constantinou	NOUN
cet-15420	71	49	and	and	CCONJ
cet-15420	71	50	gani	gani	X
cet-15420	71	51	(	(	PUNCT
cet-15420	71	52	1994	1994	NUM
cet-15420	71	53	)	)	PUNCT
cet-15420	71	54	,	,	PUNCT
cet-15420	71	55	and	and	CCONJ
cet-15420	71	56	joback	joback	NOUN
cet-15420	71	57	and	and	CCONJ
cet-15420	71	58	reid	reid	PROPN
cet-15420	71	59	(	(	PUNCT
cet-15420	71	60	1987	1987	NUM
cet-15420	71	61	)	)	PUNCT
cet-15420	71	62	,	,	PUNCT
cet-15420	71	63	revealed	reveal	VERB
cet-15420	71	64	significantly	significantly	ADV
cet-15420	71	65	lower	low	ADJ
cet-15420	71	66	errors	error	NOUN
cet-15420	71	67	in	in	ADP
cet-15420	71	68	terms	term	NOUN
cet-15420	71	69	of	of	ADP
cet-15420	71	70	both	both	CCONJ
cet-15420	71	71	rmse	rmse	NOUN
cet-15420	71	72	and	and	CCONJ
cet-15420	71	73	mape	mape	NOUN
cet-15420	71	74	for	for	ADP
cet-15420	71	75	all	all	DET
cet-15420	71	76	chemical	chemical	ADJ
cet-15420	71	77	groups	group	NOUN
cet-15420	71	78	when	when	SCONJ
cet-15420	71	79	the	the	DET
cet-15420	71	80	earlier	early	ADJ
cet-15420	71	81	method	method	NOUN
cet-15420	71	82	was	be	AUX
cet-15420	71	83	applied	apply	VERB
cet-15420	71	84	without	without	ADP
cet-15420	71	85	cross	cross	NOUN
cet-15420	71	86	-	-	NOUN
cet-15420	71	87	validation	validation	NOUN
cet-15420	71	88	.	.	PUNCT
cet-15420	72	1	the	the	DET
cet-15420	72	2	updated	update	VERB
cet-15420	72	3	results	result	NOUN
cet-15420	72	4	from	from	ADP
cet-15420	72	5	the	the	DET
cet-15420	72	6	refined	refined	ADJ
cet-15420	72	7	model	model	NOUN
cet-15420	72	8	were	be	AUX
cet-15420	72	9	compared	compare	VERB
cet-15420	72	10	with	with	ADP
cet-15420	72	11	those	those	PRON
cet-15420	72	12	from	from	ADP
cet-15420	72	13	the	the	DET
cet-15420	72	14	earlier	early	ADJ
cet-15420	72	15	work	work	NOUN
cet-15420	72	16	,	,	PUNCT
cet-15420	72	17	with	with	ADP
cet-15420	72	18	a	a	DET
cet-15420	72	19	graphical	graphical	ADJ
cet-15420	72	20	comparison	comparison	NOUN
cet-15420	72	21	presented	present	VERB
cet-15420	72	22	in	in	ADP
cet-15420	72	23	figure	figure	NOUN
cet-15420	72	24	4	4	NUM
cet-15420	72	25	.	.	PUNCT
cet-15420	73	1	although	although	SCONJ
cet-15420	73	2	the	the	DET
cet-15420	73	3	changes	change	NOUN
cet-15420	73	4	appear	appear	VERB
cet-15420	73	5	subtle	subtle	ADJ
cet-15420	73	6	,	,	PUNCT
cet-15420	73	7	the	the	DET
cet-15420	73	8	predictions	prediction	NOUN
cet-15420	73	9	generated	generate	VERB
cet-15420	73	10	by	by	ADP
cet-15420	73	11	the	the	DET
cet-15420	73	12	refined	refined	ADJ
cet-15420	73	13	model	model	NOUN
cet-15420	73	14	align	align	VERB
cet-15420	73	15	more	more	ADV
cet-15420	73	16	closely	closely	ADV
cet-15420	73	17	with	with	ADP
cet-15420	73	18	the	the	DET
cet-15420	73	19	1:1	1:1	NUM
cet-15420	73	20	line	line	NOUN
cet-15420	73	21	,	,	PUNCT
cet-15420	73	22	indicating	indicate	VERB
cet-15420	73	23	slightly	slightly	ADV
cet-15420	73	24	improved	improved	ADJ
cet-15420	73	25	accuracy	accuracy	NOUN
cet-15420	73	26	.	.	PUNCT
cet-15420	74	1	furthermore	furthermore	ADV
cet-15420	74	2	,	,	PUNCT
cet-15420	74	3	table	table	NOUN
cet-15420	74	4	1	1	NUM
cet-15420	74	5	demonstrates	demonstrate	VERB
cet-15420	74	6	that	that	SCONJ
cet-15420	74	7	the	the	DET
cet-15420	74	8	incorporation	incorporation	NOUN
cet-15420	74	9	of	of	ADP
cet-15420	74	10	the	the	DET
cet-15420	74	11	cross	cross	ADJ
cet-15420	74	12	-	-	ADJ
cet-15420	74	13	validation	validation	ADJ
cet-15420	74	14	technique	technique	NOUN
cet-15420	74	15	marginally	marginally	ADV
cet-15420	74	16	reduces	reduce	VERB
cet-15420	74	17	overall	overall	ADJ
cet-15420	74	18	error	error	NOUN
cet-15420	74	19	.	.	PUNCT
cet-15420	75	1	while	while	SCONJ
cet-15420	75	2	cross	cross	ADJ
cet-15420	75	3	-	-	ADJ
cet-15420	75	4	validation	validation	ADJ
cet-15420	75	5	increases	increase	VERB
cet-15420	75	6	errors	error	NOUN
cet-15420	75	7	in	in	ADP
cet-15420	75	8	terms	term	NOUN
cet-15420	75	9	of	of	ADP
cet-15420	75	10	both	both	DET
cet-15420	75	11	mape	mape	NOUN
cet-15420	75	12	and	and	CCONJ
cet-15420	75	13	rmse	rmse	NOUN
cet-15420	75	14	for	for	ADP
cet-15420	75	15	the	the	DET
cet-15420	75	16	train	train	NOUN
cet-15420	75	17	set	set	NOUN
cet-15420	75	18	,	,	PUNCT
cet-15420	75	19	it	it	PRON
cet-15420	75	20	reduces	reduce	VERB
cet-15420	75	21	errors	error	NOUN
cet-15420	75	22	for	for	ADP
cet-15420	75	23	the	the	DET
cet-15420	75	24	test	test	NOUN
cet-15420	75	25	(	(	PUNCT
cet-15420	75	26	unseen	unseen	ADJ
cet-15420	75	27	)	)	PUNCT
cet-15420	75	28	set	set	NOUN
cet-15420	75	29	,	,	PUNCT
cet-15420	75	30	enhancing	enhance	VERB
cet-15420	75	31	the	the	DET
cet-15420	75	32	model	model	NOUN
cet-15420	75	33	's	's	PART
cet-15420	75	34	generalization	generalization	NOUN
cet-15420	75	35	performance	performance	NOUN
cet-15420	75	36	.	.	PUNCT
cet-15420	76	1	table	table	NOUN
cet-15420	76	2	1	1	NUM
cet-15420	76	3	:	:	PUNCT
cet-15420	76	4	comparison	comparison	NOUN
cet-15420	76	5	of	of	ADP
cet-15420	76	6	the	the	DET
cet-15420	76	7	boiling	boiling	NOUN
cet-15420	76	8	points	point	NOUN
cet-15420	76	9	prediction	prediction	NOUN
cet-15420	76	10	results	result	NOUN
cet-15420	76	11	between	between	ADP
cet-15420	76	12	the	the	DET
cet-15420	76	13	previous	previous	ADJ
cet-15420	76	14	work	work	NOUN
cet-15420	76	15	and	and	CCONJ
cet-15420	76	16	this	this	DET
cet-15420	76	17	work	work	NOUN
cet-15420	76	18	metrics	metric	NOUN
cet-15420	76	19	previous	previous	ADJ
cet-15420	76	20	work	work	NOUN
cet-15420	76	21	this	this	DET
cet-15420	76	22	work	work	NOUN
cet-15420	76	23	(	(	PUNCT
cet-15420	76	24	with	with	ADP
cet-15420	76	25	cross	cross	ADJ
cet-15420	76	26	-	-	ADJ
cet-15420	76	27	validation	validation	ADJ
cet-15420	76	28	)	)	PUNCT
cet-15420	76	29	train	train	NOUN
cet-15420	76	30	set	set	VERB
cet-15420	76	31	test	test	NOUN
cet-15420	76	32	set	set	VERB
cet-15420	76	33	total	total	ADJ
cet-15420	76	34	train	train	NOUN
cet-15420	76	35	set	set	NOUN
cet-15420	76	36	test	test	NOUN
cet-15420	76	37	set	set	VERB
cet-15420	76	38	total	total	ADJ
cet-15420	76	39	mape	mape	NOUN
cet-15420	76	40	1.647	1.647	NUM
cet-15420	76	41	1.942	1.942	NUM
cet-15420	76	42	1.700	1.700	NUM
cet-15420	76	43	1.671	1.671	NUM
cet-15420	76	44	1.722	1.722	NUM
cet-15420	76	45	1.680	1.680	NUM
cet-15420	76	46	rmse	rmse	NOUN
cet-15420	77	1	7.354	7.354	NUM
cet-15420	77	2	9.924	9.924	NUM
cet-15420	77	3	7.813	7.813	NUM
cet-15420	77	4	7.729	7.729	NUM
cet-15420	77	5	8.001	8.001	NUM
cet-15420	77	6	7.778	7.778	NUM
cet-15420	77	7	r2	r2	NOUN
cet-15420	77	8	0.987	0.987	NUM
cet-15420	77	9	0.920	0.920	NUM
cet-15420	77	10	0.975	0.975	NUM
cet-15420	77	11	0.983	0.983	NUM
cet-15420	77	12	0.970	0.970	NUM
cet-15420	77	13	0.981	0.981	NUM
cet-15420	77	14	1018	1018	NUM
cet-15420	77	15	figure	figure	NOUN
cet-15420	77	16	4	4	NUM
cet-15420	77	17	:	:	PUNCT
cet-15420	77	18	plot	plot	NOUN
cet-15420	77	19	of	of	ADP
cet-15420	77	20	the	the	DET
cet-15420	77	21	predicted	predict	VERB
cet-15420	77	22	boiling	boiling	NOUN
cet-15420	77	23	points	point	NOUN
cet-15420	77	24	versus	versus	ADP
cet-15420	77	25	the	the	DET
cet-15420	77	26	actual	actual	ADJ
cet-15420	77	27	boiling	boiling	NOUN
cet-15420	77	28	points	point	NOUN
cet-15420	77	29	3.2	3.2	NUM
cet-15420	77	30	compound	compound	NOUN
cet-15420	77	31	prediction	prediction	NOUN
cet-15420	77	32	with	with	ADP
cet-15420	77	33	genetic	genetic	ADJ
cet-15420	77	34	algorithm	algorithm	NOUN
cet-15420	77	35	in	in	ADP
cet-15420	77	36	this	this	DET
cet-15420	77	37	step	step	NOUN
cet-15420	77	38	,	,	PUNCT
cet-15420	77	39	the	the	DET
cet-15420	77	40	predictive	predictive	ADJ
cet-15420	77	41	model	model	NOUN
cet-15420	77	42	developed	develop	VERB
cet-15420	77	43	in	in	ADP
cet-15420	77	44	the	the	DET
cet-15420	77	45	previous	previous	ADJ
cet-15420	77	46	section	section	NOUN
cet-15420	77	47	was	be	AUX
cet-15420	77	48	employed	employ	VERB
cet-15420	77	49	to	to	PART
cet-15420	77	50	estimate	estimate	VERB
cet-15420	77	51	the	the	DET
cet-15420	77	52	boiling	boiling	NOUN
cet-15420	77	53	points	point	NOUN
cet-15420	77	54	of	of	ADP
cet-15420	77	55	chemical	chemical	NOUN
cet-15420	77	56	compounds	compound	NOUN
cet-15420	77	57	generated	generate	VERB
cet-15420	77	58	through	through	ADP
cet-15420	77	59	random	random	ADJ
cet-15420	77	60	population	population	NOUN
cet-15420	77	61	,	,	PUNCT
cet-15420	77	62	crossover	crossover	NOUN
cet-15420	77	63	,	,	PUNCT
cet-15420	77	64	and	and	CCONJ
cet-15420	77	65	mutation	mutation	NOUN
cet-15420	77	66	.	.	PUNCT
cet-15420	78	1	six	six	NUM
cet-15420	78	2	cases	case	NOUN
cet-15420	78	3	were	be	AUX
cet-15420	78	4	investigated	investigate	VERB
cet-15420	78	5	to	to	PART
cet-15420	78	6	generate	generate	VERB
cet-15420	78	7	chemical	chemical	ADJ
cet-15420	78	8	compounds	compound	NOUN
cet-15420	78	9	with	with	ADP
cet-15420	78	10	target	target	NOUN
cet-15420	78	11	boiling	boiling	NOUN
cet-15420	78	12	points	point	NOUN
cet-15420	78	13	of	of	ADP
cet-15420	78	14	200–205	200–205	NUM
cet-15420	78	15	k	k	NOUN
cet-15420	78	16	,	,	PUNCT
cet-15420	78	17	250–255	250–255	NUM
cet-15420	78	18	k	k	NOUN
cet-15420	78	19	,	,	PUNCT
cet-15420	78	20	300–305	300–305	NUM
cet-15420	78	21	k	k	NOUN
cet-15420	78	22	,	,	PUNCT
cet-15420	78	23	350–355	350–355	NUM
cet-15420	78	24	k	k	NOUN
cet-15420	78	25	,	,	PUNCT
cet-15420	78	26	400–405	400–405	NUM
cet-15420	78	27	k	k	NOUN
cet-15420	78	28	,	,	PUNCT
cet-15420	78	29	and	and	CCONJ
cet-15420	78	30	450–455	450–455	NUM
cet-15420	78	31	k.	k.	NOUN
cet-15420	78	32	table	table	NOUN
cet-15420	78	33	2	2	NUM
cet-15420	78	34	presents	present	VERB
cet-15420	78	35	the	the	DET
cet-15420	78	36	results	result	NOUN
cet-15420	78	37	,	,	PUNCT
cet-15420	78	38	including	include	VERB
cet-15420	78	39	the	the	DET
cet-15420	78	40	target	target	NOUN
cet-15420	78	41	boiling	boiling	NOUN
cet-15420	78	42	temperature	temperature	NOUN
cet-15420	78	43	,	,	PUNCT
cet-15420	78	44	the	the	DET
cet-15420	78	45	smiles	smile	NOUN
cet-15420	78	46	structure	structure	NOUN
cet-15420	78	47	of	of	ADP
cet-15420	78	48	the	the	DET
cet-15420	78	49	generated	generate	VERB
cet-15420	78	50	compounds	compound	NOUN
cet-15420	78	51	,	,	PUNCT
cet-15420	78	52	the	the	DET
cet-15420	78	53	predicted	predict	VERB
cet-15420	78	54	boiling	boiling	NOUN
cet-15420	78	55	temperature	temperature	NOUN
cet-15420	78	56	,	,	PUNCT
cet-15420	78	57	the	the	DET
cet-15420	78	58	number	number	NOUN
cet-15420	78	59	of	of	ADP
cet-15420	78	60	iterations	iteration	NOUN
cet-15420	78	61	utilized	utilize	VERB
cet-15420	78	62	,	,	PUNCT
cet-15420	78	63	and	and	CCONJ
cet-15420	78	64	the	the	DET
cet-15420	78	65	deviation	deviation	NOUN
cet-15420	78	66	from	from	ADP
cet-15420	78	67	the	the	DET
cet-15420	78	68	target	target	NOUN
cet-15420	78	69	values	value	NOUN
cet-15420	78	70	.	.	PUNCT
cet-15420	79	1	for	for	SCONJ
cet-15420	79	2	the	the	DET
cet-15420	79	3	target	target	NOUN
cet-15420	79	4	boiling	boiling	NOUN
cet-15420	79	5	point	point	NOUN
cet-15420	79	6	ranges	range	NOUN
cet-15420	79	7	of	of	ADP
cet-15420	79	8	200–205	200–205	NUM
cet-15420	79	9	k	k	NOUN
cet-15420	79	10	and	and	CCONJ
cet-15420	79	11	250–255	250–255	NUM
cet-15420	79	12	k	k	NOUN
cet-15420	79	13	,	,	PUNCT
cet-15420	79	14	the	the	DET
cet-15420	79	15	algorithm	algorithm	NOUN
cet-15420	79	16	was	be	AUX
cet-15420	79	17	unable	unable	ADJ
cet-15420	79	18	to	to	PART
cet-15420	79	19	generate	generate	VERB
cet-15420	79	20	chemical	chemical	NOUN
cet-15420	79	21	structures	structure	NOUN
cet-15420	79	22	within	within	ADP
cet-15420	79	23	the	the	DET
cet-15420	79	24	specified	specified	ADJ
cet-15420	79	25	range	range	NOUN
cet-15420	79	26	,	,	PUNCT
cet-15420	79	27	reaching	reach	VERB
cet-15420	79	28	the	the	DET
cet-15420	79	29	maximum	maximum	NOUN
cet-15420	79	30	of	of	ADP
cet-15420	79	31	100	100	NUM
cet-15420	79	32	iterations	iteration	NOUN
cet-15420	79	33	and	and	CCONJ
cet-15420	79	34	providing	provide	VERB
cet-15420	79	35	structures	structure	NOUN
cet-15420	79	36	that	that	PRON
cet-15420	79	37	were	be	AUX
cet-15420	79	38	as	as	ADV
cet-15420	79	39	close	close	ADJ
cet-15420	79	40	to	to	ADP
cet-15420	79	41	the	the	DET
cet-15420	79	42	target	target	NOUN
cet-15420	79	43	as	as	ADP
cet-15420	79	44	possible	possible	ADJ
cet-15420	79	45	.	.	PUNCT
cet-15420	80	1	conversely	conversely	ADV
cet-15420	80	2	,	,	PUNCT
cet-15420	80	3	for	for	ADP
cet-15420	80	4	the	the	DET
cet-15420	80	5	remaining	remain	VERB
cet-15420	80	6	four	four	NUM
cet-15420	80	7	cases	case	NOUN
cet-15420	80	8	,	,	PUNCT
cet-15420	80	9	the	the	DET
cet-15420	80	10	algorithm	algorithm	NOUN
cet-15420	80	11	identified	identify	VERB
cet-15420	80	12	smiles	smile	VERB
cet-15420	80	13	structures	structure	NOUN
cet-15420	80	14	matching	match	VERB
cet-15420	80	15	the	the	DET
cet-15420	80	16	target	target	NOUN
cet-15420	80	17	boiling	boiling	NOUN
cet-15420	80	18	points	point	NOUN
cet-15420	80	19	with	with	ADP
cet-15420	80	20	only	only	ADV
cet-15420	80	21	a	a	DET
cet-15420	80	22	minimal	minimal	ADJ
cet-15420	80	23	number	number	NOUN
cet-15420	80	24	of	of	ADP
cet-15420	80	25	iterations	iteration	NOUN
cet-15420	80	26	.	.	PUNCT
cet-15420	81	1	upon	upon	SCONJ
cet-15420	81	2	detailed	detailed	ADJ
cet-15420	81	3	examination	examination	NOUN
cet-15420	81	4	,	,	PUNCT
cet-15420	81	5	the	the	DET
cet-15420	81	6	generated	generate	VERB
cet-15420	81	7	compound	compound	NOUN
cet-15420	81	8	structures	structure	NOUN
cet-15420	81	9	with	with	ADP
cet-15420	81	10	boiling	boiling	NOUN
cet-15420	81	11	points	point	NOUN
cet-15420	81	12	between	between	ADP
cet-15420	81	13	300–350	300–350	PROPN
cet-15420	81	14	k	k	PROPN
cet-15420	81	15	were	be	AUX
cet-15420	81	16	identified	identify	VERB
cet-15420	81	17	as	as	ADP
cet-15420	81	18	either	either	CCONJ
cet-15420	81	19	1	1	NUM
cet-15420	81	20	-	-	PUNCT
cet-15420	81	21	butyne	butyne	NOUN
cet-15420	81	22	or	or	CCONJ
cet-15420	81	23	2	2	NUM
cet-15420	81	24	-	-	PUNCT
cet-15420	81	25	butyne	butyne	NOUN
cet-15420	81	26	,	,	PUNCT
cet-15420	81	27	hydrocarbons	hydrocarbon	NOUN
cet-15420	81	28	containing	contain	VERB
cet-15420	81	29	four	four	NUM
cet-15420	81	30	carbon	carbon	NOUN
cet-15420	81	31	atoms	atom	NOUN
cet-15420	81	32	and	and	CCONJ
cet-15420	81	33	a	a	DET
cet-15420	81	34	single	single	ADJ
cet-15420	81	35	triple	triple	ADJ
cet-15420	81	36	bond	bond	NOUN
cet-15420	81	37	.	.	PUNCT
cet-15420	82	1	among	among	ADP
cet-15420	82	2	these	these	PRON
cet-15420	82	3	,	,	PUNCT
cet-15420	82	4	2	2	NUM
cet-15420	82	5	-	-	PUNCT
cet-15420	82	6	butyne	butyne	NOUN
cet-15420	82	7	exhibited	exhibit	VERB
cet-15420	82	8	a	a	DET
cet-15420	82	9	boiling	boiling	NOUN
cet-15420	82	10	point	point	NOUN
cet-15420	82	11	of	of	ADP
cet-15420	82	12	300	300	NUM
cet-15420	82	13	k.	k.	NOUN
cet-15420	82	14	the	the	DET
cet-15420	82	15	lack	lack	NOUN
cet-15420	82	16	of	of	ADP
cet-15420	82	17	success	success	NOUN
cet-15420	82	18	in	in	ADP
cet-15420	82	19	the	the	DET
cet-15420	82	20	first	first	ADJ
cet-15420	82	21	two	two	NUM
cet-15420	82	22	cases	case	NOUN
cet-15420	82	23	is	be	AUX
cet-15420	82	24	attributed	attribute	VERB
cet-15420	82	25	to	to	ADP
cet-15420	82	26	the	the	DET
cet-15420	82	27	absence	absence	NOUN
cet-15420	82	28	of	of	ADP
cet-15420	82	29	feasible	feasible	ADJ
cet-15420	82	30	hydrocarbon	hydrocarbon	NOUN
cet-15420	82	31	structures	structure	NOUN
cet-15420	82	32	within	within	ADP
cet-15420	82	33	the	the	DET
cet-15420	82	34	given	give	VERB
cet-15420	82	35	target	target	NOUN
cet-15420	82	36	range	range	NOUN
cet-15420	82	37	,	,	PUNCT
cet-15420	82	38	rendering	render	VERB
cet-15420	82	39	it	it	PRON
cet-15420	82	40	impossible	impossible	ADJ
cet-15420	82	41	to	to	PART
cet-15420	82	42	generate	generate	VERB
cet-15420	82	43	a	a	DET
cet-15420	82	44	structure	structure	NOUN
cet-15420	82	45	that	that	PRON
cet-15420	82	46	satisfies	satisfy	VERB
cet-15420	82	47	the	the	DET
cet-15420	82	48	specified	specified	ADJ
cet-15420	82	49	criteria	criterion	NOUN
cet-15420	82	50	,	,	PUNCT
cet-15420	82	51	regardless	regardless	ADV
cet-15420	82	52	of	of	ADP
cet-15420	82	53	the	the	DET
cet-15420	82	54	number	number	NOUN
cet-15420	82	55	of	of	ADP
cet-15420	82	56	iterations	iteration	NOUN
cet-15420	82	57	performed	perform	VERB
cet-15420	82	58	.	.	PUNCT
cet-15420	83	1	conversely	conversely	ADV
cet-15420	83	2	,	,	PUNCT
cet-15420	83	3	for	for	ADP
cet-15420	83	4	the	the	DET
cet-15420	83	5	cases	case	NOUN
cet-15420	83	6	with	with	ADP
cet-15420	83	7	feasible	feasible	ADJ
cet-15420	83	8	solutions	solution	NOUN
cet-15420	83	9	,	,	PUNCT
cet-15420	83	10	the	the	DET
cet-15420	83	11	genetic	genetic	ADJ
cet-15420	83	12	algorithm	algorithm	NOUN
cet-15420	83	13	identified	identify	VERB
cet-15420	83	14	the	the	DET
cet-15420	83	15	desired	desire	VERB
cet-15420	83	16	structures	structure	NOUN
cet-15420	83	17	with	with	ADP
cet-15420	83	18	notable	notable	ADJ
cet-15420	83	19	efficiency	efficiency	NOUN
cet-15420	83	20	.	.	PUNCT
cet-15420	84	1	table	table	NOUN
cet-15420	84	2	2	2	NUM
cet-15420	84	3	:	:	PUNCT
cet-15420	84	4	chemical	chemical	NOUN
cet-15420	84	5	structure	structure	NOUN
cet-15420	84	6	generated	generate	VERB
cet-15420	84	7	using	use	VERB
cet-15420	84	8	genetic	genetic	ADJ
cet-15420	84	9	algorithm	algorithm	NOUN
cet-15420	84	10	targets	target	NOUN
cet-15420	84	11	(	(	PUNCT
cet-15420	84	12	k	k	NOUN
cet-15420	84	13	)	)	PUNCT
cet-15420	84	14	results	result	NOUN
cet-15420	84	15	(	(	PUNCT
cet-15420	84	16	k	k	NOUN
cet-15420	84	17	)	)	PUNCT
cet-15420	84	18	structure	structure	NOUN
cet-15420	84	19	iteration	iteration	NOUN
cet-15420	84	20	error	error	NOUN
cet-15420	84	21	(	(	PUNCT
cet-15420	84	22	%	%	INTJ
cet-15420	84	23	)	)	PUNCT
cet-15420	84	24	c	c	NOUN
cet-15420	84	25	=	=	PUNCT
cet-15420	84	26	#	#	NOUN
cet-15420	84	27	(	(	PUNCT
cet-15420	84	28	1	1	NUM
cet-15420	84	29	200	200	NUM
cet-15420	84	30	-	-	SYM
cet-15420	84	31	205	205	NUM
cet-15420	84	32	188.45	188.45	NUM
cet-15420	84	33	2	2	NUM
cet-15420	84	34	0	0	NUM
cet-15420	84	35	0	0	NUM
cet-15420	84	36	0	0	NUM
cet-15420	84	37	0	0	NUM
cet-15420	84	38	100	100	NUM
cet-15420	84	39	5.78	5.78	NUM
cet-15420	84	40	250	250	NUM
cet-15420	84	41	-	-	SYM
cet-15420	84	42	255	255	NUM
cet-15420	84	43	249.95	249.95	NUM
cet-15420	84	44	3	3	NUM
cet-15420	84	45	0	0	NUM
cet-15420	84	46	1	1	NUM
cet-15420	84	47	0	0	NUM
cet-15420	84	48	0	0	NUM
cet-15420	84	49	100	100	NUM
cet-15420	84	50	0.02	0.02	NUM
cet-15420	84	51	300	300	NUM
cet-15420	84	52	-	-	NUM
cet-15420	84	53	305	305	NUM
cet-15420	84	54	300.05	300.05	NUM
cet-15420	84	55	4	4	NUM
cet-15420	84	56	0	0	NUM
cet-15420	84	57	1	1	NUM
cet-15420	84	58	0	0	NUM
cet-15420	84	59	0	0	NUM
cet-15420	84	60	3	3	NUM
cet-15420	84	61	0.00	0.00	NUM
cet-15420	84	62	350	350	NUM
cet-15420	84	63	-	-	SYM
cet-15420	84	64	355	355	NUM
cet-15420	84	65	351.05	351.05	NUM
cet-15420	84	66	7	7	NUM
cet-15420	84	67	1	1	NUM
cet-15420	84	68	0	0	NUM
cet-15420	84	69	3	3	NUM
cet-15420	84	70	0	0	NUM
cet-15420	84	71	4	4	NUM
cet-15420	84	72	0.00	0.00	NUM
cet-15420	84	73	400	400	NUM
cet-15420	84	74	-	-	SYM
cet-15420	84	75	405	405	NUM
cet-15420	84	76	403.58	403.58	NUM
cet-15420	84	77	8	8	NUM
cet-15420	84	78	2	2	NUM
cet-15420	84	79	0	0	NUM
cet-15420	84	80	0	0	NUM
cet-15420	84	81	1	1	NUM
cet-15420	84	82	5	5	NUM
cet-15420	84	83	0.00	0.00	NUM
cet-15420	84	84	450	450	NUM
cet-15420	84	85	-	-	SYM
cet-15420	84	86	455	455	NUM
cet-15420	84	87	453.15	453.15	NUM
cet-15420	84	88	12	12	NUM
cet-15420	84	89	1	1	NUM
cet-15420	84	90	0	0	NUM
cet-15420	84	91	5	5	NUM
cet-15420	84	92	0	0	NUM
cet-15420	84	93	2	2	NUM
cet-15420	84	94	0.00	0.00	NUM
cet-15420	84	95	4	4	NUM
cet-15420	84	96	.	.	PUNCT
cet-15420	84	97	conclusions	conclusion	NOUN
cet-15420	84	98	the	the	DET
cet-15420	84	99	application	application	NOUN
cet-15420	84	100	of	of	ADP
cet-15420	84	101	machine	machine	NOUN
cet-15420	84	102	learning	learning	NOUN
cet-15420	84	103	and	and	CCONJ
cet-15420	84	104	genetic	genetic	ADJ
cet-15420	84	105	algorithms	algorithm	NOUN
cet-15420	84	106	demonstrates	demonstrate	VERB
cet-15420	84	107	significant	significant	ADJ
cet-15420	84	108	potential	potential	NOUN
cet-15420	84	109	in	in	ADP
cet-15420	84	110	predicting	predict	VERB
cet-15420	84	111	and	and	CCONJ
cet-15420	84	112	optimising	optimise	VERB
cet-15420	84	113	the	the	DET
cet-15420	84	114	properties	property	NOUN
cet-15420	84	115	of	of	ADP
cet-15420	84	116	chemical	chemical	NOUN
cet-15420	84	117	compounds	compound	NOUN
cet-15420	84	118	.	.	PUNCT
cet-15420	85	1	the	the	DET
cet-15420	85	2	integration	integration	NOUN
cet-15420	85	3	of	of	ADP
cet-15420	85	4	cross	cross	ADJ
cet-15420	85	5	-	-	ADJ
cet-15420	85	6	validation	validation	ADJ
cet-15420	85	7	enhances	enhance	NOUN
cet-15420	85	8	model	model	NOUN
cet-15420	85	9	robustness	robustness	NOUN
cet-15420	85	10	,	,	PUNCT
cet-15420	85	11	reducing	reduce	VERB
cet-15420	85	12	errors	error	NOUN
cet-15420	85	13	in	in	ADP
cet-15420	85	14	the	the	DET
cet-15420	85	15	prediction	prediction	NOUN
cet-15420	85	16	of	of	ADP
cet-15420	85	17	unseen	unseen	ADJ
cet-15420	85	18	data	datum	NOUN
cet-15420	85	19	.	.	PUNCT
cet-15420	86	1	for	for	ADP
cet-15420	86	2	instance	instance	NOUN
cet-15420	86	3	,	,	PUNCT
cet-15420	86	4	the	the	DET
cet-15420	86	5	incorporation	incorporation	NOUN
cet-15420	86	6	of	of	ADP
cet-15420	86	7	cross	cross	ADJ
cet-15420	86	8	-	-	ADJ
cet-15420	86	9	validation	validation	ADJ
cet-15420	86	10	1019	1019	NUM
cet-15420	86	11	resulted	result	VERB
cet-15420	86	12	in	in	ADP
cet-15420	86	13	a	a	DET
cet-15420	86	14	reduction	reduction	NOUN
cet-15420	86	15	of	of	ADP
cet-15420	86	16	rmse	rmse	NOUN
cet-15420	86	17	from	from	ADP
cet-15420	86	18	9.92	9.92	NUM
cet-15420	86	19	k	k	NOUN
cet-15420	86	20	to	to	ADP
cet-15420	86	21	8.00	8.00	NUM
cet-15420	86	22	k	k	NOUN
cet-15420	86	23	and	and	CCONJ
cet-15420	86	24	mape	mape	NOUN
cet-15420	86	25	from	from	ADP
cet-15420	86	26	1.94	1.94	NUM
cet-15420	86	27	%	%	NOUN
cet-15420	86	28	to	to	ADP
cet-15420	86	29	1.72	1.72	NUM
cet-15420	86	30	%	%	NOUN
cet-15420	86	31	for	for	ADP
cet-15420	86	32	the	the	DET
cet-15420	86	33	test	test	NOUN
cet-15420	86	34	set	set	NOUN
cet-15420	86	35	,	,	PUNCT
cet-15420	86	36	indicating	indicate	VERB
cet-15420	86	37	improved	improved	ADJ
cet-15420	86	38	performance	performance	NOUN
cet-15420	86	39	in	in	ADP
cet-15420	86	40	property	property	NOUN
cet-15420	86	41	estimation	estimation	NOUN
cet-15420	86	42	.	.	PUNCT
cet-15420	87	1	when	when	SCONJ
cet-15420	87	2	combined	combine	VERB
cet-15420	87	3	with	with	ADP
cet-15420	87	4	a	a	DET
cet-15420	87	5	genetic	genetic	ADJ
cet-15420	87	6	algorithm	algorithm	NOUN
cet-15420	87	7	,	,	PUNCT
cet-15420	87	8	this	this	DET
cet-15420	87	9	methodology	methodology	NOUN
cet-15420	87	10	successfully	successfully	ADV
cet-15420	87	11	generated	generate	VERB
cet-15420	87	12	chemical	chemical	NOUN
cet-15420	87	13	structures	structure	NOUN
cet-15420	87	14	meeting	meet	VERB
cet-15420	87	15	specified	specify	VERB
cet-15420	87	16	property	property	NOUN
cet-15420	87	17	targets	target	NOUN
cet-15420	87	18	.	.	PUNCT
cet-15420	88	1	in	in	ADP
cet-15420	88	2	the	the	DET
cet-15420	88	3	boiling	boiling	NOUN
cet-15420	88	4	point	point	NOUN
cet-15420	88	5	prediction	prediction	NOUN
cet-15420	88	6	task	task	NOUN
cet-15420	88	7	,	,	PUNCT
cet-15420	88	8	six	six	NUM
cet-15420	88	9	cases	case	NOUN
cet-15420	88	10	were	be	AUX
cet-15420	88	11	evaluated	evaluate	VERB
cet-15420	88	12	,	,	PUNCT
cet-15420	88	13	with	with	ADP
cet-15420	88	14	targets	target	NOUN
cet-15420	88	15	ranging	range	VERB
cet-15420	88	16	from	from	ADP
cet-15420	88	17	200	200	NUM
cet-15420	88	18	k	k	NOUN
cet-15420	88	19	to	to	ADP
cet-15420	88	20	455	455	NUM
cet-15420	88	21	k.	k.	NOUN
cet-15420	88	22	for	for	ADP
cet-15420	88	23	four	four	NUM
cet-15420	88	24	feasible	feasible	ADJ
cet-15420	88	25	target	target	NOUN
cet-15420	88	26	ranges	range	NOUN
cet-15420	88	27	(	(	PUNCT
cet-15420	88	28	300–305	300–305	NUM
cet-15420	88	29	k	k	NOUN
cet-15420	88	30	,	,	PUNCT
cet-15420	88	31	350–355	350–355	NUM
cet-15420	88	32	k	k	NOUN
cet-15420	88	33	,	,	PUNCT
cet-15420	88	34	400–405	400–405	NUM
cet-15420	88	35	k	k	NOUN
cet-15420	88	36	,	,	PUNCT
cet-15420	88	37	and	and	CCONJ
cet-15420	88	38	450–455	450–455	NUM
cet-15420	88	39	k	k	NOUN
cet-15420	88	40	)	)	PUNCT
cet-15420	88	41	,	,	PUNCT
cet-15420	88	42	the	the	DET
cet-15420	88	43	algorithm	algorithm	NOUN
cet-15420	88	44	identified	identify	VERB
cet-15420	88	45	structures	structure	NOUN
cet-15420	88	46	such	such	ADJ
cet-15420	88	47	as	as	ADP
cet-15420	88	48	1	1	NUM
cet-15420	88	49	-	-	PUNCT
cet-15420	88	50	butyne	butyne	NOUN
cet-15420	88	51	and	and	CCONJ
cet-15420	88	52	2	2	NUM
cet-15420	88	53	-	-	PUNCT
cet-15420	88	54	butyne	butyne	NOUN
cet-15420	88	55	,	,	PUNCT
cet-15420	88	56	achieving	achieve	VERB
cet-15420	88	57	exact	exact	ADJ
cet-15420	88	58	matches	match	NOUN
cet-15420	88	59	to	to	ADP
cet-15420	88	60	the	the	DET
cet-15420	88	61	desired	desire	VERB
cet-15420	88	62	boiling	boiling	NOUN
cet-15420	88	63	points	point	NOUN
cet-15420	88	64	within	within	ADP
cet-15420	88	65	an	an	DET
cet-15420	88	66	average	average	NOUN
cet-15420	88	67	of	of	ADP
cet-15420	88	68	3.5	3.5	NUM
cet-15420	88	69	iterations	iteration	NOUN
cet-15420	88	70	.	.	PUNCT
cet-15420	89	1	in	in	ADP
cet-15420	89	2	contrast	contrast	NOUN
cet-15420	89	3	,	,	PUNCT
cet-15420	89	4	for	for	ADP
cet-15420	89	5	infeasible	infeasible	ADJ
cet-15420	89	6	target	target	NOUN
cet-15420	89	7	ranges	range	NOUN
cet-15420	89	8	(	(	PUNCT
cet-15420	89	9	200–205	200–205	NUM
cet-15420	89	10	k	k	NOUN
cet-15420	89	11	and	and	CCONJ
cet-15420	89	12	250–255	250–255	NUM
cet-15420	89	13	k	k	NOUN
cet-15420	89	14	)	)	PUNCT
cet-15420	89	15	,	,	PUNCT
cet-15420	89	16	the	the	DET
cet-15420	89	17	algorithm	algorithm	NOUN
cet-15420	89	18	reached	reach	VERB
cet-15420	89	19	the	the	DET
cet-15420	89	20	maximum	maximum	NOUN
cet-15420	89	21	of	of	ADP
cet-15420	89	22	100	100	NUM
cet-15420	89	23	iterations	iteration	NOUN
cet-15420	89	24	without	without	ADP
cet-15420	89	25	producing	produce	VERB
cet-15420	89	26	a	a	DET
cet-15420	89	27	structure	structure	NOUN
cet-15420	89	28	within	within	ADP
cet-15420	89	29	the	the	DET
cet-15420	89	30	specified	specified	ADJ
cet-15420	89	31	range	range	NOUN
cet-15420	89	32	,	,	PUNCT
cet-15420	89	33	highlighting	highlight	VERB
cet-15420	89	34	the	the	DET
cet-15420	89	35	limitations	limitation	NOUN
cet-15420	89	36	of	of	ADP
cet-15420	89	37	the	the	DET
cet-15420	89	38	input	input	NOUN
cet-15420	89	39	space	space	NOUN
cet-15420	89	40	.	.	PUNCT
cet-15420	90	1	overall	overall	ADV
cet-15420	90	2	,	,	PUNCT
cet-15420	90	3	the	the	DET
cet-15420	90	4	approach	approach	NOUN
cet-15420	90	5	demonstrates	demonstrate	VERB
cet-15420	90	6	improved	improve	VERB
cet-15420	90	7	predictive	predictive	ADJ
cet-15420	90	8	accuracy	accuracy	NOUN
cet-15420	90	9	and	and	CCONJ
cet-15420	90	10	efficient	efficient	ADJ
cet-15420	90	11	property	property	NOUN
cet-15420	90	12	-	-	PUNCT
cet-15420	90	13	targeted	target	VERB
cet-15420	90	14	compound	compound	NOUN
cet-15420	90	15	generation	generation	NOUN
cet-15420	90	16	.	.	PUNCT
cet-15420	91	1	further	further	ADJ
cet-15420	91	2	refinements	refinement	NOUN
cet-15420	91	3	to	to	ADP
cet-15420	91	4	the	the	DET
cet-15420	91	5	dataset	dataset	NOUN
cet-15420	91	6	and	and	CCONJ
cet-15420	91	7	algorithm	algorithm	NOUN
cet-15420	91	8	optimisation	optimisation	NOUN
cet-15420	91	9	may	may	AUX
cet-15420	91	10	expand	expand	VERB
cet-15420	91	11	the	the	DET
cet-15420	91	12	applicability	applicability	NOUN
cet-15420	91	13	to	to	ADP
cet-15420	91	14	a	a	DET
cet-15420	91	15	wider	wide	ADJ
cet-15420	91	16	range	range	NOUN
cet-15420	91	17	of	of	ADP
cet-15420	91	18	chemical	chemical	NOUN
cet-15420	91	19	properties	property	NOUN
cet-15420	91	20	and	and	CCONJ
cet-15420	91	21	enhance	enhance	VERB
cet-15420	91	22	prediction	prediction	NOUN
cet-15420	91	23	accuracy	accuracy	NOUN
cet-15420	91	24	.	.	PUNCT
cet-15420	92	1	references	reference	NOUN
cet-15420	92	2	chorbngam	chorbngam	NOUN
cet-15420	92	3	,	,	PUNCT
cet-15420	92	4	n.	n.	PROPN
cet-15420	92	5	,	,	PUNCT
cet-15420	92	6	chawuthai	chawuthai	PROPN
cet-15420	92	7	,	,	PUNCT
cet-15420	92	8	r.	r.	PROPN
cet-15420	92	9	,	,	PUNCT
cet-15420	92	10	anantpinijwatna	anantpinijwatna	PROPN
cet-15420	92	11	,	,	PUNCT
cet-15420	92	12	a.	a.	NOUN
cet-15420	92	13	,	,	PUNCT
cet-15420	92	14	2021	2021	NUM
cet-15420	92	15	.	.	PUNCT
cet-15420	93	1	computer	computer	NOUN
cet-15420	93	2	aided	aid	VERB
cet-15420	93	3	chemical	chemical	NOUN
cet-15420	93	4	engineering	engineering	NOUN
cet-15420	93	5	431–437	431–437	NUM
cet-15420	93	6	.	.	PUNCT
cet-15420	94	1	constantinou	constantinou	PROPN
cet-15420	94	2	,	,	PUNCT
cet-15420	94	3	l.	l.	PROPN
cet-15420	94	4	,	,	PUNCT
cet-15420	94	5	gani	gani	PROPN
cet-15420	94	6	,	,	PUNCT
cet-15420	94	7	r.	r.	PROPN
cet-15420	94	8	,	,	PUNCT
cet-15420	94	9	1994	1994	NUM
cet-15420	94	10	.	.	PUNCT
cet-15420	95	1	aiche	aiche	PROPN
cet-15420	95	2	journal	journal	PROPN
cet-15420	95	3	40	40	NUM
cet-15420	95	4	,	,	PUNCT
cet-15420	95	5	1697–1710	1697–1710	NUM
cet-15420	95	6	.	.	PUNCT
cet-15420	96	1	dablander	dablander	NOUN
cet-15420	96	2	,	,	PUNCT
cet-15420	96	3	m.	m.	NOUN
cet-15420	96	4	,	,	PUNCT
cet-15420	96	5	hanser	hanser	NOUN
cet-15420	96	6	,	,	PUNCT
cet-15420	96	7	t.	t.	NOUN
cet-15420	96	8	,	,	PUNCT
cet-15420	96	9	lambiotte	lambiotte	PROPN
cet-15420	96	10	,	,	PUNCT
cet-15420	96	11	r.	r.	PROPN
cet-15420	96	12	,	,	PUNCT
cet-15420	96	13	morris	morris	PROPN
cet-15420	96	14	,	,	PUNCT
cet-15420	96	15	g.m	g.m	PROPN
cet-15420	96	16	.	.	PROPN
cet-15420	96	17	,	,	PUNCT
cet-15420	96	18	2023	2023	NUM
cet-15420	96	19	.	.	PUNCT
cet-15420	97	1	j	j	PROPN
cet-15420	97	2	cheminform	cheminform	PROPN
cet-15420	97	3	15	15	NUM
cet-15420	97	4	,	,	PUNCT
cet-15420	97	5	47	47	NUM
cet-15420	97	6	.	.	PUNCT
cet-15420	98	1	goldberg	goldberg	PROPN
cet-15420	98	2	,	,	PUNCT
cet-15420	98	3	d.e	d.e	PROPN
cet-15420	98	4	.	.	PROPN
cet-15420	98	5	,	,	PUNCT
cet-15420	98	6	1989	1989	NUM
cet-15420	98	7	.	.	PUNCT
cet-15420	99	1	genetic	genetic	ADJ
cet-15420	99	2	algorithms	algorithm	NOUN
cet-15420	99	3	in	in	ADP
cet-15420	99	4	search	search	NOUN
cet-15420	99	5	,	,	PUNCT
cet-15420	99	6	optimization	optimization	NOUN
cet-15420	99	7	,	,	PUNCT
cet-15420	99	8	and	and	CCONJ
cet-15420	99	9	machine	machine	NOUN
cet-15420	99	10	learning	learning	NOUN
cet-15420	99	11	.	.	PUNCT
cet-15420	100	1	addison	addison	PROPN
cet-15420	100	2	-	-	PUNCT
cet-15420	100	3	wesley	wesley	PROPN
cet-15420	100	4	.	.	PUNCT
cet-15420	101	1	hall	hall	PROPN
cet-15420	101	2	,	,	PUNCT
cet-15420	101	3	c.	c.	PROPN
cet-15420	101	4	,	,	PUNCT
cet-15420	101	5	tharakan	tharakan	PROPN
cet-15420	101	6	,	,	PUNCT
cet-15420	101	7	p.	p.	NOUN
cet-15420	101	8	,	,	PUNCT
cet-15420	101	9	hallock	hallock	PROPN
cet-15420	101	10	,	,	PUNCT
cet-15420	101	11	j.	j.	PROPN
cet-15420	101	12	,	,	PUNCT
cet-15420	101	13	cleveland	cleveland	PROPN
cet-15420	101	14	,	,	PUNCT
cet-15420	101	15	c.	c.	PROPN
cet-15420	101	16	,	,	PUNCT
cet-15420	101	17	jefferson	jefferson	PROPN
cet-15420	101	18	,	,	PUNCT
cet-15420	101	19	m.	m.	NOUN
cet-15420	101	20	,	,	PUNCT
cet-15420	101	21	2003	2003	NUM
cet-15420	101	22	.	.	PUNCT
cet-15420	102	1	nature	nature	NOUN
cet-15420	102	2	426	426	NUM
cet-15420	102	3	,	,	PUNCT
cet-15420	102	4	318–322	318–322	NUM
cet-15420	102	5	.	.	PUNCT
cet-15420	103	1	holland	holland	PROPN
cet-15420	103	2	,	,	PUNCT
cet-15420	103	3	j.h	j.h	PROPN
cet-15420	103	4	.	.	PROPN
cet-15420	103	5	,	,	PUNCT
cet-15420	103	6	1992	1992	NUM
cet-15420	103	7	.	.	PUNCT
cet-15420	104	1	adaptation	adaptation	NOUN
cet-15420	104	2	in	in	ADP
cet-15420	104	3	natural	natural	ADJ
cet-15420	104	4	and	and	CCONJ
cet-15420	104	5	artificial	artificial	ADJ
cet-15420	104	6	systems	system	NOUN
cet-15420	104	7	.	.	PUNCT
cet-15420	105	1	the	the	DET
cet-15420	105	2	mit	mit	PROPN
cet-15420	105	3	press	press	NOUN
cet-15420	105	4	.	.	PUNCT
cet-15420	106	1	joback	joback	NOUN
cet-15420	106	2	,	,	PUNCT
cet-15420	106	3	k.g	k.g	PROPN
cet-15420	106	4	.	.	PROPN
cet-15420	106	5	,	,	PUNCT
cet-15420	106	6	reid	reid	PROPN
cet-15420	106	7	,	,	PUNCT
cet-15420	106	8	r.c	r.c	PROPN
cet-15420	106	9	.	.	PROPN
cet-15420	106	10	,	,	PUNCT
cet-15420	106	11	1987	1987	NUM
cet-15420	106	12	.	.	PUNCT
cet-15420	107	1	chem	chem	PROPN
cet-15420	107	2	eng	eng	PROPN
cet-15420	107	3	commun	commun	PROPN
cet-15420	107	4	57	57	NUM
cet-15420	107	5	,	,	PUNCT
cet-15420	107	6	233–243	233–243	NUM
cet-15420	107	7	.	.	PUNCT
cet-15420	108	1	marrero	marrero	PROPN
cet-15420	108	2	,	,	PUNCT
cet-15420	108	3	j.	j.	PROPN
cet-15420	108	4	,	,	PUNCT
cet-15420	108	5	gani	gani	PROPN
cet-15420	108	6	,	,	PUNCT
cet-15420	108	7	r.	r.	PROPN
cet-15420	108	8	,	,	PUNCT
cet-15420	108	9	2001	2001	NUM
cet-15420	108	10	.	.	PUNCT
cet-15420	109	1	fluid	fluid	ADJ
cet-15420	109	2	phase	phase	NOUN
cet-15420	109	3	equilib	equilib	NOUN
cet-15420	110	1	183–184	183–184	NUM
cet-15420	110	2	,	,	PUNCT
cet-15420	110	3	183–208	183–208	NUM
cet-15420	110	4	.	.	PUNCT
cet-15420	110	5	muratov	muratov	PROPN
cet-15420	110	6	,	,	PUNCT
cet-15420	110	7	e.n	e.n	PROPN
cet-15420	110	8	.	.	PROPN
cet-15420	110	9	,	,	PUNCT
cet-15420	110	10	bajorath	bajorath	PROPN
cet-15420	110	11	,	,	PUNCT
cet-15420	110	12	j.	j.	PROPN
cet-15420	110	13	,	,	PUNCT
cet-15420	110	14	sheridan	sheridan	PROPN
cet-15420	110	15	,	,	PUNCT
cet-15420	110	16	r.p	r.p	PROPN
cet-15420	110	17	.	.	PROPN
cet-15420	110	18	,	,	PUNCT
cet-15420	110	19	tetko	tetko	PROPN
cet-15420	110	20	,	,	PUNCT
cet-15420	110	21	i.	i.	PROPN
cet-15420	110	22	v.	v.	PROPN
cet-15420	110	23	,	,	PUNCT
cet-15420	110	24	filimonov	filimonov	PROPN
cet-15420	110	25	,	,	PUNCT
cet-15420	110	26	d.	d.	PROPN
cet-15420	110	27	,	,	PUNCT
cet-15420	110	28	poroikov	poroikov	NOUN
cet-15420	110	29	,	,	PUNCT
cet-15420	110	30	v.	v.	PROPN
cet-15420	110	31	,	,	PUNCT
cet-15420	110	32	oprea	oprea	PROPN
cet-15420	110	33	,	,	PUNCT
cet-15420	110	34	t.i	t.i	PROPN
cet-15420	110	35	.	.	PROPN
cet-15420	110	36	,	,	PUNCT
cet-15420	110	37	baskin	baskin	PROPN
cet-15420	110	38	,	,	PUNCT
cet-15420	110	39	i.i	i.i	PROPN
cet-15420	110	40	.	.	PROPN
cet-15420	110	41	,	,	PUNCT
cet-15420	110	42	varnek	varnek	ADJ
cet-15420	110	43	,	,	PUNCT
cet-15420	110	44	a.	a.	PROPN
cet-15420	110	45	,	,	PUNCT
cet-15420	110	46	roitberg	roitberg	PROPN
cet-15420	110	47	,	,	PUNCT
cet-15420	110	48	a.	a.	NOUN
cet-15420	110	49	,	,	PUNCT
cet-15420	110	50	isayev	isayev	NOUN
cet-15420	110	51	,	,	PUNCT
cet-15420	110	52	o.	o.	NOUN
cet-15420	110	53	,	,	PUNCT
cet-15420	110	54	curtalolo	curtalolo	NOUN
cet-15420	110	55	,	,	PUNCT
cet-15420	110	56	s.	s.	PROPN
cet-15420	110	57	,	,	PUNCT
cet-15420	110	58	fourches	fourche	NOUN
cet-15420	110	59	,	,	PUNCT
cet-15420	110	60	d.	d.	PROPN
cet-15420	110	61	,	,	PUNCT
cet-15420	110	62	cohen	cohen	PROPN
cet-15420	110	63	,	,	PUNCT
cet-15420	110	64	y.	y.	PROPN
cet-15420	110	65	,	,	PUNCT
cet-15420	110	66	aspuru	aspuru	ADJ
cet-15420	110	67	-	-	PUNCT
cet-15420	110	68	guzik	guzik	NOUN
cet-15420	110	69	,	,	PUNCT
cet-15420	110	70	a.	a.	NOUN
cet-15420	110	71	,	,	PUNCT
cet-15420	110	72	winkler	winkler	NOUN
cet-15420	110	73	,	,	PUNCT
cet-15420	110	74	d.a	d.a	PROPN
cet-15420	110	75	.	.	PROPN
cet-15420	110	76	,	,	PUNCT
cet-15420	110	77	agrafiotis	agrafiotis	PROPN
cet-15420	110	78	,	,	PUNCT
cet-15420	110	79	d.	d.	PROPN
cet-15420	110	80	,	,	PUNCT
cet-15420	110	81	cherkasov	cherkasov	PROPN
cet-15420	110	82	,	,	PUNCT
cet-15420	110	83	a.	a.	NOUN
cet-15420	110	84	,	,	PUNCT
cet-15420	110	85	tropsha	tropsha	PROPN
cet-15420	110	86	,	,	PUNCT
cet-15420	110	87	a.	a.	NOUN
cet-15420	110	88	,	,	PUNCT
cet-15420	110	89	2020	2020	NUM
cet-15420	110	90	.	.	PUNCT
cet-15420	111	1	chem	chem	NOUN
cet-15420	111	2	soc	soc	NOUN
cet-15420	111	3	rev	rev	VERB
cet-15420	111	4	49	49	NUM
cet-15420	111	5	,	,	PUNCT
cet-15420	111	6	3525–3564	3525–3564	NUM
cet-15420	111	7	.	.	PUNCT
cet-15420	112	1	oprisiu	oprisiu	PROPN
cet-15420	112	2	,	,	PUNCT
cet-15420	112	3	i.	i.	PROPN
cet-15420	112	4	,	,	PUNCT
cet-15420	112	5	marcou	marcou	PROPN
cet-15420	112	6	,	,	PUNCT
cet-15420	112	7	g.	g.	PROPN
cet-15420	112	8	,	,	PUNCT
cet-15420	112	9	horvath	horvath	PROPN
cet-15420	112	10	,	,	PUNCT
cet-15420	112	11	d.	d.	PROPN
cet-15420	112	12	,	,	PUNCT
cet-15420	112	13	brunel	brunel	PROPN
cet-15420	112	14	,	,	PUNCT
cet-15420	112	15	d.b	d.b	PROPN
cet-15420	112	16	.	.	PROPN
cet-15420	112	17	,	,	PUNCT
cet-15420	112	18	rivollet	rivollet	NOUN
cet-15420	112	19	,	,	PUNCT
cet-15420	112	20	f.	f.	PROPN
cet-15420	112	21	,	,	PUNCT
cet-15420	112	22	varnek	varnek	ADJ
cet-15420	112	23	,	,	PUNCT
cet-15420	112	24	a.	a.	NOUN
cet-15420	112	25	,	,	PUNCT
cet-15420	112	26	2013	2013	NUM
cet-15420	112	27	.	.	PUNCT
cet-15420	113	1	thermochim	thermochim	PROPN
cet-15420	113	2	acta	acta	PROPN
cet-15420	113	3	553	553	NUM
cet-15420	113	4	,	,	PUNCT
cet-15420	113	5	60–67	60–67	NUM
cet-15420	113	6	.	.	PUNCT
cet-15420	114	1	refaeilzadeh	refaeilzadeh	NOUN
cet-15420	114	2	,	,	PUNCT
cet-15420	114	3	p.	p.	NOUN
cet-15420	114	4	,	,	PUNCT
cet-15420	114	5	tang	tang	PROPN
cet-15420	114	6	,	,	PUNCT
cet-15420	114	7	l.	l.	PROPN
cet-15420	114	8	,	,	PUNCT
cet-15420	114	9	liu	liu	PROPN
cet-15420	114	10	,	,	PUNCT
cet-15420	114	11	h.	h.	PROPN
cet-15420	114	12	,	,	PUNCT
cet-15420	114	13	2009	2009	NUM
cet-15420	114	14	.	.	PUNCT
cet-15420	115	1	cross	cross	NOUN
cet-15420	115	2	-	-	NOUN
cet-15420	115	3	validation	validation	ADJ
cet-15420	115	4	,	,	PUNCT
cet-15420	115	5	in	in	ADP
cet-15420	115	6	:	:	PUNCT
cet-15420	115	7	encyclopedia	encyclopedia	NOUN
cet-15420	115	8	of	of	ADP
cet-15420	115	9	database	database	NOUN
cet-15420	115	10	systems	system	NOUN
cet-15420	115	11	.	.	PUNCT
cet-15420	116	1	springer	springer	PROPN
cet-15420	116	2	us	us	PROPN
cet-15420	116	3	,	,	PUNCT
cet-15420	116	4	boston	boston	PROPN
cet-15420	116	5	,	,	PUNCT
cet-15420	116	6	ma	ma	PROPN
cet-15420	116	7	,	,	PUNCT
cet-15420	116	8	pp	pp	X
cet-15420	116	9	.	.	PUNCT
cet-15420	117	1	532–538	532–538	NUM
cet-15420	117	2	.	.	PUNCT
cet-15420	117	3	saengsuradech	saengsuradech	NOUN
cet-15420	117	4	,	,	PUNCT
cet-15420	117	5	s.	s.	PROPN
cet-15420	117	6	,	,	PUNCT
cet-15420	117	7	nukaew	nukaew	PROPN
cet-15420	117	8	,	,	PUNCT
cet-15420	117	9	a.	a.	NOUN
cet-15420	117	10	,	,	PUNCT
cet-15420	117	11	2021	2021	NUM
cet-15420	117	12	.	.	PUNCT
cet-15420	118	1	prediction	prediction	NOUN
cet-15420	118	2	of	of	ADP
cet-15420	118	3	osmotic	osmotic	ADJ
cet-15420	118	4	and	and	CCONJ
cet-15420	118	5	activity	activity	NOUN
cet-15420	118	6	coefficients	coefficient	NOUN
cet-15420	118	7	of	of	ADP
cet-15420	118	8	alkyl	alkyl	ADJ
cet-15420	118	9	ammonium	ammonium	NOUN
cet-15420	118	10	in	in	ADP
cet-15420	118	11	aqueous	aqueous	ADJ
cet-15420	118	12	solution	solution	NOUN
cet-15420	118	13	with	with	ADP
cet-15420	118	14	machine	machine	NOUN
cet-15420	118	15	learning	learning	NOUN
cet-15420	118	16	.	.	PUNCT
cet-15420	119	1	schiano	schiano	PROPN
cet-15420	119	2	di	di	PROPN
cet-15420	119	3	visconte	visconte	PROPN
cet-15420	119	4	,	,	PUNCT
cet-15420	119	5	g.	g.	PROPN
cet-15420	119	6	,	,	PUNCT
cet-15420	119	7	spicer	spicer	PROPN
cet-15420	119	8	,	,	PUNCT
cet-15420	119	9	a.	a.	PROPN
cet-15420	119	10	,	,	PUNCT
cet-15420	119	11	chuck	chuck	NOUN
cet-15420	119	12	,	,	PUNCT
cet-15420	119	13	c.j	c.j	PROPN
cet-15420	119	14	.	.	PROPN
cet-15420	119	15	,	,	PUNCT
cet-15420	119	16	allen	allen	PROPN
cet-15420	119	17	,	,	PUNCT
cet-15420	119	18	m.j	m.j	PROPN
cet-15420	119	19	.	.	PROPN
cet-15420	119	20	,	,	PUNCT
cet-15420	119	21	2019	2019	NUM
cet-15420	119	22	.	.	PUNCT
cet-15420	120	1	applied	apply	VERB
cet-15420	120	2	sciences	science	NOUN
cet-15420	120	3	9	9	NUM
cet-15420	120	4	,	,	PUNCT
cet-15420	120	5	4793	4793	NUM
cet-15420	120	6	.	.	PUNCT
cet-15420	121	1	singh	singh	PROPN
cet-15420	121	2	,	,	PUNCT
cet-15420	121	3	s.p	s.p	PROPN
cet-15420	121	4	.	.	PROPN
cet-15420	121	5	,	,	PUNCT
cet-15420	121	6	anantharaj	anantharaj	PROPN
cet-15420	121	7	,	,	PUNCT
cet-15420	121	8	r.	r.	PROPN
cet-15420	121	9	,	,	PUNCT
cet-15420	121	10	banerjee	banerjee	PROPN
cet-15420	121	11	,	,	PUNCT
cet-15420	121	12	t.	t.	PROPN
cet-15420	121	13	,	,	PUNCT
cet-15420	121	14	2010	2010	NUM
cet-15420	121	15	.	.	PUNCT
cet-15420	122	1	unifac	unifac	NOUN
cet-15420	122	2	group	group	NOUN
cet-15420	122	3	interaction	interaction	NOUN
cet-15420	122	4	prediction	prediction	NOUN
cet-15420	122	5	for	for	ADP
cet-15420	122	6	ionic	ionic	ADJ
cet-15420	122	7	liquid	liquid	NOUN
cet-15420	122	8	-	-	PUNCT
cet-15420	122	9	thiophene	thiophene	NOUN
cet-15420	122	10	based	base	VERB
cet-15420	122	11	systems	system	NOUN
cet-15420	122	12	using	use	VERB
cet-15420	122	13	genetic	genetic	ADJ
cet-15420	122	14	algorithm	algorithm	NOUN
cet-15420	122	15	,	,	PUNCT
cet-15420	122	16	in	in	ADP
cet-15420	122	17	:	:	PUNCT
cet-15420	122	18	deb	deb	PROPN
cet-15420	122	19	,	,	PUNCT
cet-15420	122	20	k.	k.	PROPN
cet-15420	122	21	,	,	PUNCT
cet-15420	122	22	bhattacharya	bhattacharya	PROPN
cet-15420	122	23	,	,	PUNCT
cet-15420	122	24	a.	a.	PROPN
cet-15420	122	25	,	,	PUNCT
cet-15420	122	26	chakraborti	chakraborti	PROPN
cet-15420	122	27	,	,	PUNCT
cet-15420	122	28	n.	n.	NOUN
cet-15420	122	29	,	,	PUNCT
cet-15420	122	30	chakroborty	chakroborty	NOUN
cet-15420	122	31	,	,	PUNCT
cet-15420	122	32	p.	p.	PROPN
cet-15420	122	33	,	,	PUNCT
cet-15420	122	34	das	das	PROPN
cet-15420	122	35	,	,	PUNCT
cet-15420	122	36	s.	s.	PROPN
cet-15420	122	37	,	,	PUNCT
cet-15420	122	38	dutta	dutta	PROPN
cet-15420	122	39	,	,	PUNCT
cet-15420	122	40	j.	j.	PROPN
cet-15420	122	41	,	,	PUNCT
cet-15420	122	42	gupta	gupta	PROPN
cet-15420	122	43	,	,	PUNCT
cet-15420	122	44	s.k	s.k	PROPN
cet-15420	122	45	.	.	PROPN
cet-15420	122	46	,	,	PUNCT
cet-15420	122	47	jain	jain	PROPN
cet-15420	122	48	,	,	PUNCT
cet-15420	122	49	a.	a.	NOUN
cet-15420	122	50	,	,	PUNCT
cet-15420	122	51	aggarwal	aggarwal	NOUN
cet-15420	122	52	,	,	PUNCT
cet-15420	122	53	v.	v.	ADV
cet-15420	122	54	,	,	PUNCT
cet-15420	122	55	branke	branke	PROPN
cet-15420	122	56	,	,	PUNCT
cet-15420	122	57	j.	j.	PROPN
cet-15420	122	58	,	,	PUNCT
cet-15420	122	59	louis	louis	PROPN
cet-15420	122	60	,	,	PUNCT
cet-15420	122	61	s.j	s.j	PROPN
cet-15420	122	62	.	.	PROPN
cet-15420	122	63	,	,	PUNCT
cet-15420	122	64	tan	tan	PROPN
cet-15420	122	65	,	,	PUNCT
cet-15420	122	66	k.c	k.c	PROPN
cet-15420	122	67	.	.	PROPN
cet-15420	122	68	(	(	PUNCT
cet-15420	122	69	eds	ed	NOUN
cet-15420	122	70	.	.	PUNCT
cet-15420	122	71	)	)	PUNCT
cet-15420	122	72	,	,	PUNCT
cet-15420	122	73	simulated	simulate	VERB
cet-15420	122	74	evolution	evolution	NOUN
cet-15420	122	75	and	and	CCONJ
cet-15420	122	76	learning	learning	NOUN
cet-15420	122	77	,	,	PUNCT
cet-15420	122	78	lecture	lecture	NOUN
cet-15420	122	79	notes	note	NOUN
cet-15420	122	80	in	in	ADP
cet-15420	122	81	computer	computer	NOUN
cet-15420	122	82	science	science	NOUN
cet-15420	122	83	.	.	PUNCT
cet-15420	123	1	springer	springer	PROPN
cet-15420	123	2	berlin	berlin	PROPN
cet-15420	123	3	heidelberg	heidelberg	PROPN
cet-15420	123	4	,	,	PUNCT
cet-15420	123	5	berlin	berlin	PROPN
cet-15420	123	6	,	,	PUNCT
cet-15420	123	7	heidelberg	heidelberg	PROPN
cet-15420	123	8	,	,	PUNCT
cet-15420	123	9	pp	pp	X
cet-15420	123	10	.	.	PUNCT
cet-15420	124	1	195–204	195–204	NUM
cet-15420	124	2	.	.	PUNCT
cet-15420	124	3	thakaew	thakaew	NOUN
cet-15420	124	4	,	,	PUNCT
cet-15420	124	5	c.	c.	NOUN
cet-15420	124	6	,	,	PUNCT
cet-15420	124	7	sribut	sribut	PROPN
cet-15420	124	8	,	,	PUNCT
cet-15420	124	9	c.	c.	NOUN
cet-15420	124	10	,	,	PUNCT
cet-15420	124	11	2021	2021	NUM
cet-15420	124	12	.	.	PUNCT
cet-15420	125	1	solubilities	solubility	NOUN
cet-15420	125	2	prediction	prediction	NOUN
cet-15420	125	3	of	of	ADP
cet-15420	125	4	oxygenated	oxygenated	ADJ
cet-15420	125	5	organic	organic	ADJ
cet-15420	125	6	compounds	compound	NOUN
cet-15420	125	7	using	use	VERB
cet-15420	125	8	novel	novel	ADJ
cet-15420	125	9	statistical	statistical	ADJ
cet-15420	125	10	-	-	PUNCT
cet-15420	125	11	based	base	VERB
cet-15420	125	12	method	method	NOUN
cet-15420	125	13	.	.	PUNCT
cet-15420	126	1	wilkes	wilkes	PROPN
cet-15420	126	2	,	,	PUNCT
cet-15420	126	3	h.	h.	PROPN
cet-15420	126	4	,	,	PUNCT
cet-15420	126	5	2010	2010	NUM
cet-15420	126	6	.	.	PUNCT
cet-15420	127	1	methods	method	NOUN
cet-15420	127	2	of	of	ADP
cet-15420	127	3	hydrocarbon	hydrocarbon	NOUN
cet-15420	127	4	analysis	analysis	NOUN
cet-15420	127	5	,	,	PUNCT
cet-15420	127	6	in	in	ADP
cet-15420	127	7	:	:	PUNCT
cet-15420	127	8	handbook	handbook	NOUN
cet-15420	127	9	of	of	ADP
cet-15420	127	10	hydrocarbon	hydrocarbon	NOUN
cet-15420	127	11	and	and	CCONJ
cet-15420	127	12	lipid	lipid	NOUN
cet-15420	127	13	microbiology	microbiology	NOUN
cet-15420	127	14	.	.	PUNCT
cet-15420	128	1	springer	springer	PROPN
cet-15420	128	2	berlin	berlin	PROPN
cet-15420	128	3	heidelberg	heidelberg	PROPN
cet-15420	128	4	,	,	PUNCT
cet-15420	128	5	berlin	berlin	PROPN
cet-15420	128	6	,	,	PUNCT
cet-15420	128	7	heidelberg	heidelberg	PROPN
cet-15420	128	8	,	,	PUNCT
cet-15420	128	9	pp	pp	X
cet-15420	128	10	.	.	PUNCT
cet-15420	129	1	49–65	49–65	NUM
cet-15420	129	2	.	.	PUNCT
cet-15420	130	1	wilkes	wilkes	PROPN
cet-15420	130	2	,	,	PUNCT
cet-15420	130	3	h.	h.	PROPN
cet-15420	130	4	,	,	PUNCT
cet-15420	130	5	schwarzbauer	schwarzbauer	PROPN
cet-15420	130	6	,	,	PUNCT
cet-15420	130	7	j.	j.	PROPN
cet-15420	130	8	,	,	PUNCT
cet-15420	130	9	2010	2010	NUM
cet-15420	130	10	.	.	PUNCT
cet-15420	131	1	hydrocarbons	hydrocarbon	NOUN
cet-15420	131	2	:	:	PUNCT
cet-15420	131	3	an	an	DET
cet-15420	131	4	introduction	introduction	NOUN
cet-15420	131	5	to	to	ADP
cet-15420	131	6	structure	structure	NOUN
cet-15420	131	7	,	,	PUNCT
cet-15420	131	8	physico	physico	NOUN
cet-15420	131	9	-	-	PUNCT
cet-15420	131	10	chemical	chemical	NOUN
cet-15420	131	11	properties	property	NOUN
cet-15420	131	12	and	and	CCONJ
cet-15420	131	13	natural	natural	ADJ
cet-15420	131	14	occurrence	occurrence	NOUN
cet-15420	131	15	,	,	PUNCT
cet-15420	131	16	in	in	ADP
cet-15420	131	17	:	:	PUNCT
cet-15420	131	18	handbook	handbook	NOUN
cet-15420	131	19	of	of	ADP
cet-15420	131	20	hydrocarbon	hydrocarbon	NOUN
cet-15420	131	21	and	and	CCONJ
cet-15420	131	22	lipid	lipid	NOUN
cet-15420	131	23	microbiology	microbiology	NOUN
cet-15420	131	24	.	.	PUNCT
cet-15420	132	1	springer	springer	PROPN
cet-15420	132	2	berlin	berlin	PROPN
cet-15420	132	3	heidelberg	heidelberg	PROPN
cet-15420	132	4	,	,	PUNCT
cet-15420	132	5	berlin	berlin	PROPN
cet-15420	132	6	,	,	PUNCT
cet-15420	132	7	heidelberg	heidelberg	PROPN
cet-15420	132	8	,	,	PUNCT
cet-15420	132	9	pp	pp	PROPN
cet-15420	132	10	.	.	PUNCT
cet-15420	133	1	1–48	1–48	NOUN
cet-15420	133	2	.	.	PUNCT
cet-15420	134	1	1020	1020	NUM
cet-15420	134	2	cet-vol117-b.pdf	cet-vol117-b.pdf	NOUN
cet-15420	134	3	6chawuthai.pdf	6chawuthai.pdf	NUM
cet-15420	134	4	integration	integration	NOUN
cet-15420	134	5	of	of	ADP
cet-15420	134	6	genetic	genetic	ADJ
cet-15420	134	7	algorithm	algorithm	NOUN
cet-15420	134	8	with	with	ADP
cet-15420	134	9	machine	machine	NOUN
cet-15420	134	10	learning	learning	NOUN
cet-15420	134	11	for	for	ADP
cet-15420	134	12	properties	property	NOUN
cet-15420	134	13	prediction	prediction	VERB