id	sid	tid	token	lemma	pos
ijassa-897	1	1	microsoft	microsoft	PROPN
ijassa-897	1	2	word	word	NOUN
ijassa-897	1	3	897	897	NUM
ijassa-897	1	4	article	article	NOUN
ijassa-897	1	5	text	text	NOUN
ijassa-897	1	6	,	,	PUNCT
ijassa-897	1	7	copyedited.doc	copyedited.doc	X
ijassa-897	1	8	adv	adv	PROPN
ijassa-897	1	9	syst	syst	PROPN
ijassa-897	1	10	sci	sci	PROPN
ijassa-897	1	11	appl	appl	PROPN
ijassa-897	1	12	2020	2020	NUM
ijassa-897	1	13	;	;	PUNCT
ijassa-897	1	14	03	03	NUM
ijassa-897	1	15	;	;	PUNCT
ijassa-897	1	16	91	91	NUM
ijassa-897	1	17	-	-	SYM
ijassa-897	1	18	104	104	NUM
ijassa-897	1	19	published	publish	VERB
ijassa-897	1	20	online	online	ADV
ijassa-897	1	21	at	at	ADP
ijassa-897	1	22	https://ijassa.ipu.ru	https://ijassa.ipu.ru	ADV
ijassa-897	1	23	.	.	PUNCT
ijassa-897	2	1	classifying	classify	VERB
ijassa-897	2	2	amorphous	amorphous	ADJ
ijassa-897	2	3	polymers	polymer	NOUN
ijassa-897	2	4	for	for	ADP
ijassa-897	2	5	membrane	membrane	NOUN
ijassa-897	2	6	technology	technology	NOUN
ijassa-897	2	7	basing	base	VERB
ijassa-897	2	8	on	on	ADP
ijassa-897	2	9	accessible	accessible	ADJ
ijassa-897	2	10	surface	surface	NOUN
ijassa-897	2	11	area	area	NOUN
ijassa-897	2	12	of	of	ADP
ijassa-897	2	13	their	their	PRON
ijassa-897	2	14	conformations	conformation	NOUN
ijassa-897	2	15	oleg	oleg	PROPN
ijassa-897	2	16	miloserdov1	miloserdov1	PROPN
ijassa-897	2	17	*	*	ADJ
ijassa-897	2	18	1	1	NUM
ijassa-897	2	19	)	)	PUNCT
ijassa-897	2	20	institute	institute	NOUN
ijassa-897	2	21	of	of	ADP
ijassa-897	2	22	control	control	PROPN
ijassa-897	2	23	sciences	sciences	PROPN
ijassa-897	2	24	,	,	PUNCT
ijassa-897	2	25	russian	russian	ADJ
ijassa-897	2	26	academy	academy	PROPN
ijassa-897	2	27	of	of	ADP
ijassa-897	2	28	sciences	sciences	PROPN
ijassa-897	2	29	,	,	PUNCT
ijassa-897	2	30	moscow	moscow	PROPN
ijassa-897	2	31	,	,	PUNCT
ijassa-897	2	32	russia	russia	PROPN
ijassa-897	2	33	e	e	NOUN
ijassa-897	2	34	-	-	NOUN
ijassa-897	2	35	mail	mail	NOUN
ijassa-897	2	36	:	:	PUNCT
ijassa-897	2	37	oleg_milos@mail.ru	oleg_milos@mail.ru	VERB
ijassa-897	2	38	abstract	abstract	NOUN
ijassa-897	2	39	:	:	PUNCT
ijassa-897	2	40	almost	almost	ADV
ijassa-897	2	41	400	400	NUM
ijassa-897	2	42	amorphous	amorphous	ADJ
ijassa-897	2	43	polymer	polymer	NOUN
ijassa-897	2	44	materials	material	NOUN
ijassa-897	2	45	used	use	VERB
ijassa-897	2	46	in	in	ADP
ijassa-897	2	47	membrane	membrane	NOUN
ijassa-897	2	48	gas	gas	NOUN
ijassa-897	2	49	separation	separation	NOUN
ijassa-897	2	50	technology	technology	NOUN
ijassa-897	2	51	are	be	AUX
ijassa-897	2	52	clustered	cluster	VERB
ijassa-897	2	53	on	on	ADP
ijassa-897	2	54	the	the	DET
ijassa-897	2	55	basis	basis	NOUN
ijassa-897	2	56	of	of	ADP
ijassa-897	2	57	the	the	DET
ijassa-897	2	58	shape	shape	NOUN
ijassa-897	2	59	of	of	ADP
ijassa-897	2	60	their	their	PRON
ijassa-897	2	61	polymer	polymer	NOUN
ijassa-897	2	62	chains	chain	NOUN
ijassa-897	2	63	conformations	conformation	NOUN
ijassa-897	2	64	.	.	PUNCT
ijassa-897	3	1	obtained	obtain	VERB
ijassa-897	3	2	clusters	cluster	NOUN
ijassa-897	3	3	,	,	PUNCT
ijassa-897	3	4	which	which	PRON
ijassa-897	3	5	rely	rely	VERB
ijassa-897	3	6	solely	solely	ADV
ijassa-897	3	7	on	on	ADP
ijassa-897	3	8	the	the	DET
ijassa-897	3	9	geometry	geometry	NOUN
ijassa-897	3	10	of	of	ADP
ijassa-897	3	11	polymer	polymer	NOUN
ijassa-897	3	12	chains	chain	NOUN
ijassa-897	3	13	and	and	CCONJ
ijassa-897	3	14	not	not	PART
ijassa-897	3	15	on	on	ADP
ijassa-897	3	16	the	the	DET
ijassa-897	3	17	chemical	chemical	NOUN
ijassa-897	3	18	class	class	NOUN
ijassa-897	3	19	(	(	PUNCT
ijassa-897	3	20	polyamides	polyamide	NOUN
ijassa-897	3	21	,	,	PUNCT
ijassa-897	3	22	polyacetylenes	polyacetylene	NOUN
ijassa-897	3	23	,	,	PUNCT
ijassa-897	3	24	etc	etc	X
ijassa-897	3	25	.	.	X
ijassa-897	3	26	)	)	PUNCT
ijassa-897	3	27	,	,	PUNCT
ijassa-897	3	28	are	be	AUX
ijassa-897	3	29	shown	show	VERB
ijassa-897	3	30	to	to	PART
ijassa-897	3	31	discriminate	discriminate	VERB
ijassa-897	3	32	polymers	polymer	NOUN
ijassa-897	3	33	with	with	ADP
ijassa-897	3	34	respect	respect	NOUN
ijassa-897	3	35	to	to	ADP
ijassa-897	3	36	their	their	PRON
ijassa-897	3	37	transport	transport	NOUN
ijassa-897	3	38	properties	property	NOUN
ijassa-897	3	39	,	,	PUNCT
ijassa-897	3	40	in	in	ADP
ijassa-897	3	41	particular	particular	ADJ
ijassa-897	3	42	,	,	PUNCT
ijassa-897	3	43	the	the	DET
ijassa-897	3	44	coefficient	coefficient	NOUN
ijassa-897	3	45	of	of	ADP
ijassa-897	3	46	diffusion	diffusion	NOUN
ijassa-897	3	47	.	.	PUNCT
ijassa-897	4	1	the	the	DET
ijassa-897	4	2	method	method	NOUN
ijassa-897	4	3	proposed	propose	VERB
ijassa-897	4	4	consists	consist	NOUN
ijassa-897	4	5	of	of	ADP
ijassa-897	4	6	several	several	ADJ
ijassa-897	4	7	steps	step	NOUN
ijassa-897	4	8	.	.	PUNCT
ijassa-897	5	1	firstly	firstly	ADV
ijassa-897	5	2	,	,	PUNCT
ijassa-897	5	3	realistic	realistic	ADJ
ijassa-897	5	4	conformations	conformation	NOUN
ijassa-897	5	5	of	of	ADP
ijassa-897	5	6	large	large	ADJ
ijassa-897	5	7	polymer	polymer	NOUN
ijassa-897	5	8	macromolecules	macromolecule	NOUN
ijassa-897	5	9	are	be	AUX
ijassa-897	5	10	constructed	construct	VERB
ijassa-897	5	11	using	use	VERB
ijassa-897	5	12	the	the	DET
ijassa-897	5	13	program	program	NOUN
ijassa-897	5	14	code	code	NOUN
ijassa-897	5	15	developed	develop	VERB
ijassa-897	5	16	in	in	ADP
ijassa-897	5	17	the	the	DET
ijassa-897	5	18	rdkit	rdkit	ADJ
ijassa-897	5	19	environment	environment	NOUN
ijassa-897	5	20	for	for	ADP
ijassa-897	5	21	python	python	PROPN
ijassa-897	5	22	.	.	PUNCT
ijassa-897	6	1	then	then	ADV
ijassa-897	6	2	,	,	PUNCT
ijassa-897	6	3	polymer	polymer	NOUN
ijassa-897	6	4	conformations	conformation	NOUN
ijassa-897	6	5	are	be	AUX
ijassa-897	6	6	characterized	characterize	VERB
ijassa-897	6	7	by	by	ADP
ijassa-897	6	8	a	a	DET
ijassa-897	6	9	curve	curve	NOUN
ijassa-897	6	10	that	that	PRON
ijassa-897	6	11	relates	relate	VERB
ijassa-897	6	12	the	the	DET
ijassa-897	6	13	“	"	PUNCT
ijassa-897	6	14	accessible	accessible	ADJ
ijassa-897	6	15	surface	surface	NOUN
ijassa-897	6	16	area	area	NOUN
ijassa-897	6	17	”	"	PUNCT
ijassa-897	6	18	(	(	PUNCT
ijassa-897	6	19	i.e.	i.e.	X
ijassa-897	6	20	,	,	PUNCT
ijassa-897	6	21	the	the	DET
ijassa-897	6	22	contact	contact	NOUN
ijassa-897	6	23	surface	surface	NOUN
ijassa-897	6	24	between	between	ADP
ijassa-897	6	25	the	the	DET
ijassa-897	6	26	spherical	spherical	ADJ
ijassa-897	6	27	model	model	NOUN
ijassa-897	6	28	of	of	ADP
ijassa-897	6	29	a	a	DET
ijassa-897	6	30	macromolecule	macromolecule	NOUN
ijassa-897	6	31	and	and	CCONJ
ijassa-897	6	32	a	a	DET
ijassa-897	6	33	spherical	spherical	ADJ
ijassa-897	6	34	“	"	PUNCT
ijassa-897	6	35	probe	probe	NOUN
ijassa-897	6	36	”	"	PUNCT
ijassa-897	6	37	)	)	PUNCT
ijassa-897	6	38	to	to	ADP
ijassa-897	6	39	the	the	DET
ijassa-897	6	40	radius	radius	NOUN
ijassa-897	6	41	of	of	ADP
ijassa-897	6	42	this	this	DET
ijassa-897	6	43	probe	probe	NOUN
ijassa-897	6	44	,	,	PUNCT
ijassa-897	6	45	and	and	CCONJ
ijassa-897	6	46	also	also	ADV
ijassa-897	6	47	seven	seven	NUM
ijassa-897	6	48	similar	similar	ADJ
ijassa-897	6	49	curves	curve	NOUN
ijassa-897	6	50	,	,	PUNCT
ijassa-897	6	51	which	which	PRON
ijassa-897	6	52	relate	relate	VERB
ijassa-897	6	53	the	the	DET
ijassa-897	6	54	polarized	polarize	VERB
ijassa-897	6	55	(	(	PUNCT
ijassa-897	6	56	neutral	neutral	ADJ
ijassa-897	6	57	,	,	PUNCT
ijassa-897	6	58	positively	positively	ADV
ijassa-897	6	59	or	or	CCONJ
ijassa-897	6	60	negatively	negatively	ADV
ijassa-897	6	61	charged	charge	VERB
ijassa-897	6	62	,	,	PUNCT
ijassa-897	6	63	etc	etc	X
ijassa-897	6	64	.	.	X
ijassa-897	6	65	)	)	PUNCT
ijassa-897	6	66	accessible	accessible	ADJ
ijassa-897	6	67	surface	surface	NOUN
ijassa-897	6	68	area	area	NOUN
ijassa-897	6	69	to	to	ADP
ijassa-897	6	70	the	the	DET
ijassa-897	6	71	radius	radius	NOUN
ijassa-897	6	72	of	of	ADP
ijassa-897	6	73	the	the	DET
ijassa-897	6	74	spherical	spherical	ADJ
ijassa-897	6	75	probe	probe	NOUN
ijassa-897	6	76	that	that	PRON
ijassa-897	6	77	represents	represent	VERB
ijassa-897	6	78	the	the	DET
ijassa-897	6	79	variety	variety	NOUN
ijassa-897	6	80	of	of	ADP
ijassa-897	6	81	penetrant	penetrant	NOUN
ijassa-897	6	82	gases	gas	NOUN
ijassa-897	6	83	.	.	PUNCT
ijassa-897	7	1	an	an	DET
ijassa-897	7	2	improved	improved	ADJ
ijassa-897	7	3	algorithm	algorithm	NOUN
ijassa-897	7	4	for	for	ADP
ijassa-897	7	5	surface	surface	NOUN
ijassa-897	7	6	area	area	NOUN
ijassa-897	7	7	calculation	calculation	NOUN
ijassa-897	7	8	maps	map	VERB
ijassa-897	7	9	out	out	ADP
ijassa-897	7	10	the	the	DET
ijassa-897	7	11	outer	outer	ADJ
ijassa-897	7	12	surface	surface	NOUN
ijassa-897	7	13	of	of	ADP
ijassa-897	7	14	the	the	DET
ijassa-897	7	15	macromolecule	macromolecule	NOUN
ijassa-897	7	16	to	to	PART
ijassa-897	7	17	eliminate	eliminate	VERB
ijassa-897	7	18	its	its	PRON
ijassa-897	7	19	influence	influence	NOUN
ijassa-897	7	20	.	.	PUNCT
ijassa-897	8	1	the	the	DET
ijassa-897	8	2	curves	curve	NOUN
ijassa-897	8	3	are	be	AUX
ijassa-897	8	4	averaged	average	VERB
ijassa-897	8	5	between	between	ADP
ijassa-897	8	6	ten	ten	NUM
ijassa-897	8	7	polymer	polymer	NOUN
ijassa-897	8	8	conformations	conformation	NOUN
ijassa-897	8	9	to	to	PART
ijassa-897	8	10	obtain	obtain	VERB
ijassa-897	8	11	more	more	ADV
ijassa-897	8	12	robust	robust	ADJ
ijassa-897	8	13	figures	figure	NOUN
ijassa-897	8	14	.	.	PUNCT
ijassa-897	9	1	finally	finally	ADV
ijassa-897	9	2	,	,	PUNCT
ijassa-897	9	3	agglomerative	agglomerative	ADJ
ijassa-897	9	4	clustering	clustering	NOUN
ijassa-897	9	5	is	be	AUX
ijassa-897	9	6	used	use	VERB
ijassa-897	9	7	to	to	PART
ijassa-897	9	8	separate	separate	VERB
ijassa-897	9	9	different	different	ADJ
ijassa-897	9	10	polymers	polymer	NOUN
ijassa-897	9	11	in	in	ADP
ijassa-897	9	12	the	the	DET
ijassa-897	9	13	space	space	NOUN
ijassa-897	9	14	of	of	ADP
ijassa-897	9	15	these	these	DET
ijassa-897	9	16	curves	curve	NOUN
ijassa-897	9	17	that	that	PRON
ijassa-897	9	18	align	align	VERB
ijassa-897	9	19	their	their	PRON
ijassa-897	9	20	accessible	accessible	ADJ
ijassa-897	9	21	-	-	PUNCT
ijassa-897	9	22	surface	surface	NOUN
ijassa-897	9	23	-	-	PUNCT
ijassa-897	9	24	area	area	NOUN
ijassa-897	9	25	-	-	PUNCT
ijassa-897	9	26	related	relate	VERB
ijassa-897	9	27	quantities	quantity	NOUN
ijassa-897	9	28	against	against	ADP
ijassa-897	9	29	the	the	DET
ijassa-897	9	30	probe	probe	NOUN
ijassa-897	9	31	radius	radius	NOUN
ijassa-897	9	32	.	.	PUNCT
ijassa-897	10	1	the	the	DET
ijassa-897	10	2	proposed	propose	VERB
ijassa-897	10	3	classification	classification	NOUN
ijassa-897	10	4	of	of	ADP
ijassa-897	10	5	polymers	polymer	NOUN
ijassa-897	10	6	can	can	AUX
ijassa-897	10	7	be	be	AUX
ijassa-897	10	8	used	use	VERB
ijassa-897	10	9	to	to	PART
ijassa-897	10	10	develop	develop	VERB
ijassa-897	10	11	more	more	ADV
ijassa-897	10	12	precise	precise	ADJ
ijassa-897	10	13	predictive	predictive	ADJ
ijassa-897	10	14	models	model	NOUN
ijassa-897	10	15	of	of	ADP
ijassa-897	10	16	polymers	polymer	NOUN
ijassa-897	10	17	’	'	PUNCT
ijassa-897	10	18	transport	transport	NOUN
ijassa-897	10	19	properties	property	NOUN
ijassa-897	10	20	for	for	ADP
ijassa-897	10	21	the	the	DET
ijassa-897	10	22	theory	theory	NOUN
ijassa-897	10	23	-	-	PUNCT
ijassa-897	10	24	guided	guide	VERB
ijassa-897	10	25	and	and	CCONJ
ijassa-897	10	26	computer	computer	NOUN
ijassa-897	10	27	-	-	PUNCT
ijassa-897	10	28	aided	aid	VERB
ijassa-897	10	29	materials	material	NOUN
ijassa-897	10	30	design	design	NOUN
ijassa-897	10	31	.	.	PUNCT
ijassa-897	11	1	keywords	keyword	NOUN
ijassa-897	11	2	:	:	PUNCT
ijassa-897	11	3	machine	machine	NOUN
ijassa-897	11	4	learning	learning	NOUN
ijassa-897	11	5	,	,	PUNCT
ijassa-897	11	6	agglomerative	agglomerative	ADJ
ijassa-897	11	7	clustering	clustering	NOUN
ijassa-897	11	8	,	,	PUNCT
ijassa-897	11	9	qspr	qspr	NOUN
ijassa-897	11	10	,	,	PUNCT
ijassa-897	11	11	molecular	molecular	ADJ
ijassa-897	11	12	modeling	modeling	NOUN
ijassa-897	11	13	,	,	PUNCT
ijassa-897	11	14	polymer	polymer	NOUN
ijassa-897	11	15	membranes	membrane	NOUN
ijassa-897	11	16	,	,	PUNCT
ijassa-897	11	17	gas	gas	NOUN
ijassa-897	11	18	separation	separation	NOUN
ijassa-897	11	19	1	1	NUM
ijassa-897	11	20	.	.	PUNCT
ijassa-897	11	21	introduction	introduction	NOUN
ijassa-897	11	22	membrane	membrane	NOUN
ijassa-897	11	23	technologies	technology	NOUN
ijassa-897	11	24	of	of	ADP
ijassa-897	11	25	gas	gas	NOUN
ijassa-897	11	26	separation	separation	NOUN
ijassa-897	11	27	are	be	AUX
ijassa-897	11	28	extensively	extensively	ADV
ijassa-897	11	29	used	use	VERB
ijassa-897	11	30	all	all	ADV
ijassa-897	11	31	over	over	ADP
ijassa-897	11	32	the	the	DET
ijassa-897	11	33	world	world	NOUN
ijassa-897	11	34	in	in	ADP
ijassa-897	11	35	hydrogen	hydrogen	NOUN
ijassa-897	11	36	and	and	CCONJ
ijassa-897	11	37	oxygen	oxygen	NOUN
ijassa-897	11	38	production	production	NOUN
ijassa-897	11	39	,	,	PUNCT
ijassa-897	11	40	natural	natural	ADJ
ijassa-897	11	41	gas	gas	NOUN
ijassa-897	11	42	purification	purification	NOUN
ijassa-897	11	43	and	and	CCONJ
ijassa-897	11	44	carbon	carbon	NOUN
ijassa-897	11	45	dioxide	dioxide	NOUN
ijassa-897	11	46	separation	separation	NOUN
ijassa-897	11	47	.	.	PUNCT
ijassa-897	12	1	despite	despite	SCONJ
ijassa-897	12	2	the	the	DET
ijassa-897	12	3	great	great	ADJ
ijassa-897	12	4	variety	variety	NOUN
ijassa-897	12	5	of	of	ADP
ijassa-897	12	6	materials	material	NOUN
ijassa-897	12	7	used	use	VERB
ijassa-897	12	8	in	in	ADP
ijassa-897	12	9	liquid	liquid	NOUN
ijassa-897	12	10	,	,	PUNCT
ijassa-897	12	11	metal	metal	NOUN
ijassa-897	12	12	,	,	PUNCT
ijassa-897	12	13	ceramic	ceramic	ADJ
ijassa-897	12	14	and	and	CCONJ
ijassa-897	12	15	polymer	polymer	NOUN
ijassa-897	12	16	membranes	membrane	NOUN
ijassa-897	12	17	,	,	PUNCT
ijassa-897	12	18	there	there	PRON
ijassa-897	12	19	is	be	VERB
ijassa-897	12	20	still	still	ADV
ijassa-897	12	21	a	a	DET
ijassa-897	12	22	high	high	ADJ
ijassa-897	12	23	need	need	NOUN
ijassa-897	12	24	for	for	ADP
ijassa-897	12	25	a	a	DET
ijassa-897	12	26	scientifically	scientifically	ADV
ijassa-897	12	27	-	-	PUNCT
ijassa-897	12	28	based	base	VERB
ijassa-897	12	29	search	search	NOUN
ijassa-897	12	30	for	for	ADP
ijassa-897	12	31	new	new	ADJ
ijassa-897	12	32	materials	material	NOUN
ijassa-897	12	33	,	,	PUNCT
ijassa-897	12	34	especially	especially	ADV
ijassa-897	12	35	for	for	ADP
ijassa-897	12	36	polymer	polymer	NOUN
ijassa-897	12	37	membranes	membrane	NOUN
ijassa-897	12	38	.	.	PUNCT
ijassa-897	13	1	the	the	DET
ijassa-897	13	2	development	development	NOUN
ijassa-897	13	3	of	of	ADP
ijassa-897	13	4	mathematical	mathematical	ADJ
ijassa-897	13	5	models	model	NOUN
ijassa-897	13	6	to	to	PART
ijassa-897	13	7	predict	predict	VERB
ijassa-897	13	8	properties	property	NOUN
ijassa-897	13	9	of	of	ADP
ijassa-897	13	10	polymers	polymer	NOUN
ijassa-897	13	11	from	from	ADP
ijassa-897	13	12	their	their	PRON
ijassa-897	13	13	structure	structure	NOUN
ijassa-897	13	14	allows	allow	VERB
ijassa-897	13	15	saving	save	VERB
ijassa-897	13	16	financial	financial	ADJ
ijassa-897	13	17	and	and	CCONJ
ijassa-897	13	18	time	time	NOUN
ijassa-897	13	19	resources	resource	NOUN
ijassa-897	13	20	during	during	ADP
ijassa-897	13	21	the	the	DET
ijassa-897	13	22	development	development	NOUN
ijassa-897	13	23	of	of	ADP
ijassa-897	13	24	new	new	ADJ
ijassa-897	13	25	membrane	membrane	NOUN
ijassa-897	13	26	materials	material	NOUN
ijassa-897	13	27	.	.	PUNCT
ijassa-897	14	1	unfortunately	unfortunately	ADV
ijassa-897	14	2	,	,	PUNCT
ijassa-897	14	3	the	the	DET
ijassa-897	14	4	mathematical	mathematical	ADJ
ijassa-897	14	5	models	model	NOUN
ijassa-897	14	6	for	for	ADP
ijassa-897	14	7	transport	transport	NOUN
ijassa-897	14	8	properties	property	NOUN
ijassa-897	14	9	of	of	ADP
ijassa-897	14	10	polymeric	polymeric	ADJ
ijassa-897	14	11	materials	material	NOUN
ijassa-897	14	12	so	so	ADV
ijassa-897	14	13	far	far	ADV
ijassa-897	14	14	have	have	VERB
ijassa-897	14	15	either	either	CCONJ
ijassa-897	14	16	insufficient	insufficient	ADJ
ijassa-897	14	17	predictive	predictive	ADJ
ijassa-897	14	18	power	power	NOUN
ijassa-897	14	19	or	or	CCONJ
ijassa-897	14	20	are	be	AUX
ijassa-897	14	21	limited	limit	VERB
ijassa-897	14	22	to	to	ADP
ijassa-897	14	23	specific	specific	ADJ
ijassa-897	14	24	polymers	polymer	NOUN
ijassa-897	14	25	or	or	CCONJ
ijassa-897	14	26	their	their	PRON
ijassa-897	14	27	classes	class	NOUN
ijassa-897	14	28	.	.	PUNCT
ijassa-897	15	1	primarily	primarily	ADV
ijassa-897	15	2	,	,	PUNCT
ijassa-897	15	3	this	this	PRON
ijassa-897	15	4	is	be	AUX
ijassa-897	15	5	due	due	ADJ
ijassa-897	15	6	to	to	ADP
ijassa-897	15	7	the	the	DET
ijassa-897	15	8	fact	fact	NOUN
ijassa-897	15	9	that	that	SCONJ
ijassa-897	15	10	transport	transport	NOUN
ijassa-897	15	11	properties	property	NOUN
ijassa-897	15	12	of	of	ADP
ijassa-897	15	13	polymers	polymer	NOUN
ijassa-897	15	14	used	use	VERB
ijassa-897	15	15	for	for	ADP
ijassa-897	15	16	membrane	membrane	NOUN
ijassa-897	15	17	gas	gas	NOUN
ijassa-897	15	18	separation	separation	NOUN
ijassa-897	15	19	are	be	AUX
ijassa-897	15	20	determined	determine	VERB
ijassa-897	15	21	by	by	ADP
ijassa-897	15	22	the	the	DET
ijassa-897	15	23	geometry	geometry	NOUN
ijassa-897	15	24	of	of	ADP
ijassa-897	15	25	their	their	PRON
ijassa-897	15	26	polymer	polymer	NOUN
ijassa-897	15	27	chains	chain	NOUN
ijassa-897	15	28	,	,	PUNCT
ijassa-897	15	29	characterized	characterize	VERB
ijassa-897	15	30	by	by	ADP
ijassa-897	15	31	a	a	DET
ijassa-897	15	32	wide	wide	ADJ
ijassa-897	15	33	variety	variety	NOUN
ijassa-897	15	34	of	of	ADP
ijassa-897	15	35	chemical	chemical	NOUN
ijassa-897	15	36	structures	structure	NOUN
ijassa-897	15	37	and	and	CCONJ
ijassa-897	15	38	methods	method	NOUN
ijassa-897	15	39	of	of	ADP
ijassa-897	15	40	their	their	PRON
ijassa-897	15	41	organization	organization	NOUN
ijassa-897	15	42	(	(	PUNCT
ijassa-897	15	43	spatial	spatial	ADJ
ijassa-897	15	44	isomerism	isomerism	NOUN
ijassa-897	15	45	,	,	PUNCT
ijassa-897	15	46	statistical	statistical	ADJ
ijassa-897	15	47	sequence	sequence	NOUN
ijassa-897	15	48	of	of	ADP
ijassa-897	15	49	polymer	polymer	NOUN
ijassa-897	15	50	units	unit	NOUN
ijassa-897	15	51	,	,	PUNCT
ijassa-897	15	52	etc	etc	X
ijassa-897	15	53	.	.	X
ijassa-897	15	54	)	)	PUNCT
ijassa-897	15	55	.	.	PUNCT
ijassa-897	16	1	several	several	ADJ
ijassa-897	16	2	approaches	approach	NOUN
ijassa-897	16	3	are	be	AUX
ijassa-897	16	4	known	know	VERB
ijassa-897	16	5	from	from	ADP
ijassa-897	16	6	the	the	DET
ijassa-897	16	7	literature	literature	NOUN
ijassa-897	16	8	to	to	PART
ijassa-897	16	9	predict	predict	VERB
ijassa-897	16	10	transport	transport	NOUN
ijassa-897	16	11	properties	property	NOUN
ijassa-897	16	12	of	of	ADP
ijassa-897	16	13	polymers	polymer	NOUN
ijassa-897	16	14	.	.	PUNCT
ijassa-897	17	1	those	those	PRON
ijassa-897	17	2	most	most	ADV
ijassa-897	17	3	popular	popular	ADJ
ijassa-897	17	4	and	and	CCONJ
ijassa-897	17	5	well	well	ADV
ijassa-897	17	6	-	-	PUNCT
ijassa-897	17	7	founded	found	VERB
ijassa-897	17	8	are	be	AUX
ijassa-897	17	9	based	base	VERB
ijassa-897	17	10	on	on	ADP
ijassa-897	17	11	computer	computer	NOUN
ijassa-897	17	12	simulation	simulation	NOUN
ijassa-897	17	13	of	of	ADP
ijassa-897	17	14	atoms	atom	NOUN
ijassa-897	17	15	and	and	CCONJ
ijassa-897	17	16	their	their	PRON
ijassa-897	17	17	interactions	interaction	NOUN
ijassa-897	17	18	[	[	X
ijassa-897	17	19	19,8	19,8	NUM
ijassa-897	17	20	]	]	X
ijassa-897	17	21	.	.	PUNCT
ijassa-897	18	1	first	first	ADV
ijassa-897	18	2	of	of	ADP
ijassa-897	18	3	all	all	PRON
ijassa-897	18	4	,	,	PUNCT
ijassa-897	18	5	they	they	PRON
ijassa-897	18	6	include	include	VERB
ijassa-897	18	7	molecular	molecular	ADJ
ijassa-897	18	8	dynamics	dynamic	NOUN
ijassa-897	18	9	(	(	PUNCT
ijassa-897	18	10	md	md	PROPN
ijassa-897	18	11	)	)	PUNCT
ijassa-897	18	12	and	and	CCONJ
ijassa-897	18	13	the	the	DET
ijassa-897	18	14	grand	grand	ADJ
ijassa-897	18	15	canonical	canonical	ADJ
ijassa-897	18	16	monte	monte	PROPN
ijassa-897	18	17	carlo	carlo	PROPN
ijassa-897	18	18	method	method	PROPN
ijassa-897	18	19	(	(	PUNCT
ijassa-897	18	20	gcmc	gcmc	NOUN
ijassa-897	18	21	)	)	PUNCT
ijassa-897	19	1	[	[	X
ijassa-897	19	2	13	13	NUM
ijassa-897	19	3	]	]	PUNCT
ijassa-897	19	4	that	that	PRON
ijassa-897	19	5	are	be	AUX
ijassa-897	19	6	used	use	VERB
ijassa-897	19	7	to	to	PART
ijassa-897	19	8	predict	predict	VERB
ijassa-897	19	9	solubility	solubility	NOUN
ijassa-897	19	10	and	and	CCONJ
ijassa-897	19	11	*	*	PUNCT
ijassa-897	19	12	corresponding	correspond	VERB
ijassa-897	19	13	author	author	NOUN
ijassa-897	19	14	:	:	PUNCT
ijassa-897	19	15	oleg_milos@mail.ru	oleg_milos@mail.ru	ADV
ijassa-897	19	16	92	92	NUM
ijassa-897	19	17	o.	o.	ADJ
ijassa-897	19	18	miloserdov	miloserdov	PROPN
ijassa-897	20	1	copyright	copyright	NOUN
ijassa-897	20	2	©	©	PROPN
ijassa-897	20	3	2020	2020	NUM
ijassa-897	20	4	assa	assa	NOUN
ijassa-897	20	5	.	.	PUNCT
ijassa-897	21	1	adv	adv	PROPN
ijassa-897	21	2	.	.	PUNCT
ijassa-897	22	1	in	in	ADP
ijassa-897	22	2	systems	system	NOUN
ijassa-897	22	3	science	science	NOUN
ijassa-897	22	4	and	and	CCONJ
ijassa-897	22	5	appl	appl	NOUN
ijassa-897	22	6	.	.	PUNCT
ijassa-897	23	1	(	(	PUNCT
ijassa-897	23	2	2020	2020	NUM
ijassa-897	23	3	)	)	PUNCT
ijassa-897	23	4	diffusion	diffusion	NOUN
ijassa-897	23	5	coefficients	coefficient	NOUN
ijassa-897	23	6	.	.	PUNCT
ijassa-897	24	1	while	while	SCONJ
ijassa-897	24	2	md	md	PROPN
ijassa-897	24	3	is	be	AUX
ijassa-897	24	4	used	use	VERB
ijassa-897	24	5	to	to	PART
ijassa-897	24	6	predict	predict	VERB
ijassa-897	24	7	diffusion	diffusion	NOUN
ijassa-897	24	8	,	,	PUNCT
ijassa-897	24	9	gcmc	gcmc	NOUN
ijassa-897	24	10	models	model	NOUN
ijassa-897	24	11	have	have	AUX
ijassa-897	24	12	shown	show	VERB
ijassa-897	24	13	their	their	PRON
ijassa-897	24	14	effectiveness	effectiveness	NOUN
ijassa-897	24	15	in	in	ADP
ijassa-897	24	16	predicting	predict	VERB
ijassa-897	24	17	solubility	solubility	NOUN
ijassa-897	24	18	coefficients	coefficient	NOUN
ijassa-897	24	19	.	.	PUNCT
ijassa-897	25	1	one	one	NUM
ijassa-897	25	2	of	of	ADP
ijassa-897	25	3	the	the	DET
ijassa-897	25	4	common	common	ADJ
ijassa-897	25	5	shortcomings	shortcoming	NOUN
ijassa-897	25	6	of	of	ADP
ijassa-897	25	7	both	both	DET
ijassa-897	25	8	md	md	PROPN
ijassa-897	25	9	and	and	CCONJ
ijassa-897	25	10	gcmc	gcmc	PROPN
ijassa-897	25	11	is	be	AUX
ijassa-897	25	12	their	their	PRON
ijassa-897	25	13	high	high	ADJ
ijassa-897	25	14	computational	computational	ADJ
ijassa-897	25	15	complexity	complexity	NOUN
ijassa-897	25	16	.	.	PUNCT
ijassa-897	26	1	they	they	PRON
ijassa-897	26	2	require	require	VERB
ijassa-897	26	3	a	a	DET
ijassa-897	26	4	lot	lot	NOUN
ijassa-897	26	5	of	of	ADP
ijassa-897	26	6	computing	compute	VERB
ijassa-897	26	7	resources	resource	NOUN
ijassa-897	26	8	and	and	CCONJ
ijassa-897	26	9	machine	machine	NOUN
ijassa-897	26	10	time	time	NOUN
ijassa-897	26	11	.	.	PUNCT
ijassa-897	27	1	therefore	therefore	ADV
ijassa-897	27	2	,	,	PUNCT
ijassa-897	27	3	these	these	DET
ijassa-897	27	4	methods	method	NOUN
ijassa-897	27	5	seem	seem	VERB
ijassa-897	27	6	to	to	PART
ijassa-897	27	7	be	be	AUX
ijassa-897	27	8	too	too	ADV
ijassa-897	27	9	timeconsuming	timeconsuming	ADJ
ijassa-897	27	10	for	for	ADP
ijassa-897	27	11	mass	mass	ADJ
ijassa-897	27	12	prediction	prediction	NOUN
ijassa-897	27	13	of	of	ADP
ijassa-897	27	14	the	the	DET
ijassa-897	27	15	properties	property	NOUN
ijassa-897	27	16	(	(	PUNCT
ijassa-897	27	17	screening	screening	NOUN
ijassa-897	27	18	)	)	PUNCT
ijassa-897	27	19	of	of	ADP
ijassa-897	27	20	hypothetical	hypothetical	ADJ
ijassa-897	27	21	(	(	PUNCT
ijassa-897	27	22	previously	previously	ADV
ijassa-897	27	23	not	not	PART
ijassa-897	27	24	synthesized	synthesize	VERB
ijassa-897	27	25	)	)	PUNCT
ijassa-897	27	26	polymeric	polymeric	ADJ
ijassa-897	27	27	materials	material	NOUN
ijassa-897	27	28	.	.	PUNCT
ijassa-897	28	1	at	at	ADP
ijassa-897	28	2	the	the	DET
ijassa-897	28	3	same	same	ADJ
ijassa-897	28	4	time	time	NOUN
ijassa-897	28	5	,	,	PUNCT
ijassa-897	28	6	there	there	PRON
ijassa-897	28	7	is	be	VERB
ijassa-897	28	8	an	an	DET
ijassa-897	28	9	alternative	alternative	ADJ
ijassa-897	28	10	approach	approach	NOUN
ijassa-897	28	11	to	to	ADP
ijassa-897	28	12	the	the	DET
ijassa-897	28	13	prediction	prediction	NOUN
ijassa-897	28	14	of	of	ADP
ijassa-897	28	15	sorption	sorption	NOUN
ijassa-897	28	16	properties	property	NOUN
ijassa-897	28	17	of	of	ADP
ijassa-897	28	18	polymers	polymer	NOUN
ijassa-897	28	19	and	and	CCONJ
ijassa-897	28	20	the	the	DET
ijassa-897	28	21	prediction	prediction	NOUN
ijassa-897	28	22	of	of	ADP
ijassa-897	28	23	their	their	PRON
ijassa-897	28	24	transport	transport	NOUN
ijassa-897	28	25	parameters	parameter	NOUN
ijassa-897	28	26	.	.	PUNCT
ijassa-897	29	1	this	this	PRON
ijassa-897	29	2	is	be	AUX
ijassa-897	29	3	a	a	DET
ijassa-897	29	4	typical	typical	ADJ
ijassa-897	29	5	task	task	NOUN
ijassa-897	29	6	for	for	ADP
ijassa-897	29	7	qspr	qspr	NOUN
ijassa-897	29	8	methods	method	NOUN
ijassa-897	29	9	[	[	X
ijassa-897	29	10	17,21	17,21	NUM
ijassa-897	29	11	]	]	PUNCT
ijassa-897	29	12	.	.	PUNCT
ijassa-897	30	1	their	their	PRON
ijassa-897	30	2	goal	goal	NOUN
ijassa-897	30	3	is	be	AUX
ijassa-897	30	4	to	to	PART
ijassa-897	30	5	establish	establish	VERB
ijassa-897	30	6	statistically	statistically	ADV
ijassa-897	30	7	significant	significant	ADJ
ijassa-897	30	8	correlations	correlation	NOUN
ijassa-897	30	9	between	between	ADP
ijassa-897	30	10	the	the	DET
ijassa-897	30	11	numerical	numerical	ADJ
ijassa-897	30	12	values	value	NOUN
ijassa-897	30	13	of	of	ADP
ijassa-897	30	14	the	the	DET
ijassa-897	30	15	physicochemical	physicochemical	ADJ
ijassa-897	30	16	properties	property	NOUN
ijassa-897	30	17	of	of	ADP
ijassa-897	30	18	materials	material	NOUN
ijassa-897	30	19	and	and	CCONJ
ijassa-897	30	20	molecular	molecular	ADJ
ijassa-897	30	21	descriptors	descriptor	NOUN
ijassa-897	30	22	.	.	PUNCT
ijassa-897	31	1	earlier	early	ADV
ijassa-897	31	2	,	,	PUNCT
ijassa-897	31	3	in	in	ADP
ijassa-897	31	4	[	[	PUNCT
ijassa-897	31	5	11	11	NUM
ijassa-897	31	6	]	]	PUNCT
ijassa-897	31	7	,	,	PUNCT
ijassa-897	31	8	the	the	DET
ijassa-897	31	9	method	method	NOUN
ijassa-897	31	10	was	be	AUX
ijassa-897	31	11	proposed	propose	VERB
ijassa-897	31	12	and	and	CCONJ
ijassa-897	31	13	then	then	ADV
ijassa-897	31	14	improved	improve	VERB
ijassa-897	31	15	in	in	ADP
ijassa-897	31	16	[	[	X
ijassa-897	31	17	10	10	NUM
ijassa-897	31	18	]	]	PUNCT
ijassa-897	31	19	for	for	ADP
ijassa-897	31	20	predicting	predict	VERB
ijassa-897	31	21	the	the	DET
ijassa-897	31	22	sorption	sorption	NOUN
ijassa-897	31	23	parameters	parameter	NOUN
ijassa-897	31	24	of	of	ADP
ijassa-897	31	25	polymers	polymer	NOUN
ijassa-897	31	26	(	(	PUNCT
ijassa-897	31	27	gas	gas	NOUN
ijassa-897	31	28	solubility	solubility	NOUN
ijassa-897	31	29	coefficient	coefficient	NOUN
ijassa-897	31	30	at	at	ADP
ijassa-897	31	31	infinite	infinite	ADJ
ijassa-897	31	32	dilution	dilution	NOUN
ijassa-897	31	33	s	s	NOUN
ijassa-897	31	34	and	and	CCONJ
ijassa-897	31	35	the	the	DET
ijassa-897	31	36	solubility	solubility	NOUN
ijassa-897	31	37	constant	constant	ADJ
ijassa-897	31	38	of	of	ADP
ijassa-897	31	39	henry	henry	PROPN
ijassa-897	31	40	's	's	PART
ijassa-897	31	41	law	law	NOUN
ijassa-897	31	42	kd	kd	PROPN
ijassa-897	31	43	in	in	ADP
ijassa-897	31	44	the	the	DET
ijassa-897	31	45	model	model	NOUN
ijassa-897	31	46	of	of	ADP
ijassa-897	31	47	double	double	ADJ
ijassa-897	31	48	sorption	sorption	NOUN
ijassa-897	31	49	)	)	PUNCT
ijassa-897	31	50	for	for	ADP
ijassa-897	31	51	a	a	DET
ijassa-897	31	52	number	number	NOUN
ijassa-897	31	53	of	of	ADP
ijassa-897	31	54	light	light	ADJ
ijassa-897	31	55	gases	gas	NOUN
ijassa-897	31	56	in	in	ADP
ijassa-897	31	57	glassy	glassy	NOUN
ijassa-897	31	58	polymers	polymer	NOUN
ijassa-897	31	59	.	.	PUNCT
ijassa-897	32	1	the	the	DET
ijassa-897	32	2	approach	approach	NOUN
ijassa-897	32	3	[	[	X
ijassa-897	32	4	11,10	11,10	NOUN
ijassa-897	32	5	]	]	PUNCT
ijassa-897	32	6	is	be	AUX
ijassa-897	32	7	based	base	VERB
ijassa-897	32	8	on	on	ADP
ijassa-897	32	9	calculating	calculate	VERB
ijassa-897	32	10	the	the	DET
ijassa-897	32	11	dependence	dependence	NOUN
ijassa-897	32	12	of	of	ADP
ijassa-897	32	13	a	a	DET
ijassa-897	32	14	number	number	NOUN
ijassa-897	32	15	of	of	ADP
ijassa-897	32	16	geometric	geometric	ADJ
ijassa-897	32	17	indices	index	NOUN
ijassa-897	32	18	on	on	ADP
ijassa-897	32	19	the	the	DET
ijassa-897	32	20	effective	effective	ADJ
ijassa-897	32	21	penetrant	penetrant	NOUN
ijassa-897	32	22	radius	radius	NOUN
ijassa-897	32	23	for	for	ADP
ijassa-897	32	24	conformations	conformation	NOUN
ijassa-897	32	25	of	of	ADP
ijassa-897	32	26	a	a	DET
ijassa-897	32	27	polymer	polymer	NOUN
ijassa-897	32	28	chain	chain	NOUN
ijassa-897	32	29	segment	segment	NOUN
ijassa-897	32	30	(	(	PUNCT
ijassa-897	32	31	200	200	NUM
ijassa-897	32	32	-	-	SYM
ijassa-897	32	33	600	600	NUM
ijassa-897	32	34	atoms	atom	NOUN
ijassa-897	32	35	length	length	NOUN
ijassa-897	32	36	)	)	PUNCT
ijassa-897	32	37	,	,	PUNCT
ijassa-897	32	38	obtained	obtain	VERB
ijassa-897	32	39	from	from	ADP
ijassa-897	32	40	computer	computer	NOUN
ijassa-897	32	41	modeling	modeling	NOUN
ijassa-897	32	42	of	of	ADP
ijassa-897	32	43	a	a	DET
ijassa-897	32	44	polymer	polymer	NOUN
ijassa-897	32	45	chain	chain	NOUN
ijassa-897	32	46	segment	segment	NOUN
ijassa-897	32	47	.	.	PUNCT
ijassa-897	33	1	in	in	ADP
ijassa-897	33	2	this	this	DET
ijassa-897	33	3	article	article	NOUN
ijassa-897	33	4	this	this	DET
ijassa-897	33	5	approach	approach	NOUN
ijassa-897	33	6	to	to	ADP
ijassa-897	33	7	molecular	molecular	ADJ
ijassa-897	33	8	modeling	modeling	NOUN
ijassa-897	33	9	and	and	CCONJ
ijassa-897	33	10	data	datum	NOUN
ijassa-897	33	11	analysis	analysis	NOUN
ijassa-897	33	12	is	be	AUX
ijassa-897	33	13	further	far	ADV
ijassa-897	33	14	developed	develop	VERB
ijassa-897	33	15	and	and	CCONJ
ijassa-897	33	16	applied	apply	VERB
ijassa-897	33	17	to	to	ADP
ijassa-897	33	18	building	build	VERB
ijassa-897	33	19	a	a	DET
ijassa-897	33	20	classification	classification	NOUN
ijassa-897	33	21	of	of	ADP
ijassa-897	33	22	glassy	glassy	NOUN
ijassa-897	33	23	polymers	polymer	NOUN
ijassa-897	33	24	used	use	VERB
ijassa-897	33	25	in	in	ADP
ijassa-897	33	26	membrane	membrane	NOUN
ijassa-897	33	27	technology	technology	NOUN
ijassa-897	33	28	.	.	PUNCT
ijassa-897	34	1	the	the	DET
ijassa-897	34	2	isolated	isolated	ADJ
ijassa-897	34	3	clusters	cluster	NOUN
ijassa-897	34	4	turn	turn	VERB
ijassa-897	34	5	out	out	ADP
ijassa-897	34	6	to	to	PART
ijassa-897	34	7	be	be	AUX
ijassa-897	34	8	closely	closely	ADV
ijassa-897	34	9	related	relate	VERB
ijassa-897	34	10	to	to	ADP
ijassa-897	34	11	the	the	DET
ijassa-897	34	12	physicochemical	physicochemical	ADJ
ijassa-897	34	13	properties	property	NOUN
ijassa-897	34	14	of	of	ADP
ijassa-897	34	15	substances	substance	NOUN
ijassa-897	34	16	that	that	PRON
ijassa-897	34	17	are	be	AUX
ijassa-897	34	18	important	important	ADJ
ijassa-897	34	19	for	for	ADP
ijassa-897	34	20	the	the	DET
ijassa-897	34	21	membrane	membrane	NOUN
ijassa-897	34	22	technology	technology	NOUN
ijassa-897	34	23	.	.	PUNCT
ijassa-897	35	1	in	in	ADP
ijassa-897	35	2	the	the	DET
ijassa-897	35	3	future	future	NOUN
ijassa-897	35	4	,	,	PUNCT
ijassa-897	35	5	it	it	PRON
ijassa-897	35	6	can	can	AUX
ijassa-897	35	7	be	be	AUX
ijassa-897	35	8	used	use	VERB
ijassa-897	35	9	to	to	PART
ijassa-897	35	10	construct	construct	VERB
ijassa-897	35	11	refined	refined	ADJ
ijassa-897	35	12	regressions	regression	NOUN
ijassa-897	35	13	that	that	PRON
ijassa-897	35	14	can	can	AUX
ijassa-897	35	15	predict	predict	VERB
ijassa-897	35	16	the	the	DET
ijassa-897	35	17	main	main	ADJ
ijassa-897	35	18	transport	transport	NOUN
ijassa-897	35	19	properties	property	NOUN
ijassa-897	35	20	of	of	ADP
ijassa-897	35	21	polymeric	polymeric	ADJ
ijassa-897	35	22	materials	material	NOUN
ijassa-897	35	23	—	—	PUNCT
ijassa-897	35	24	solubility	solubility	NOUN
ijassa-897	35	25	,	,	PUNCT
ijassa-897	35	26	diffusion	diffusion	NOUN
ijassa-897	35	27	,	,	PUNCT
ijassa-897	35	28	and	and	CCONJ
ijassa-897	35	29	permeability	permeability	NOUN
ijassa-897	35	30	coefficients	coefficient	NOUN
ijassa-897	35	31	.	.	PUNCT
ijassa-897	36	1	2	2	X
ijassa-897	36	2	.	.	X
ijassa-897	36	3	molecular	molecular	ADJ
ijassa-897	36	4	modeling	model	VERB
ijassa-897	36	5	2.1	2.1	NUM
ijassa-897	36	6	.	.	PUNCT
ijassa-897	37	1	molecular	molecular	ADJ
ijassa-897	37	2	mechanics	mechanic	NOUN
ijassa-897	37	3	modeling	model	VERB
ijassa-897	37	4	problems	problem	NOUN
ijassa-897	37	5	of	of	ADP
ijassa-897	37	6	quantitative	quantitative	ADJ
ijassa-897	37	7	property	property	NOUN
ijassa-897	37	8	forecasting	forecasting	NOUN
ijassa-897	37	9	from	from	ADP
ijassa-897	37	10	statistics	statistic	NOUN
ijassa-897	37	11	and	and	CCONJ
ijassa-897	37	12	those	those	PRON
ijassa-897	37	13	of	of	ADP
ijassa-897	37	14	massive	massive	ADJ
ijassa-897	37	15	polymer	polymer	NOUN
ijassa-897	37	16	classification	classification	NOUN
ijassa-897	37	17	impose	impose	VERB
ijassa-897	37	18	some	some	DET
ijassa-897	37	19	requirements	requirement	NOUN
ijassa-897	37	20	on	on	ADP
ijassa-897	37	21	the	the	DET
ijassa-897	37	22	underlying	underlie	VERB
ijassa-897	37	23	approach	approach	NOUN
ijassa-897	37	24	to	to	ADP
ijassa-897	37	25	molecular	molecular	ADJ
ijassa-897	37	26	mechanicsmodeling	mechanicsmodeling	NOUN
ijassa-897	37	27	(	(	PUNCT
ijassa-897	37	28	hereinafter	hereinafter	NOUN
ijassa-897	37	29	mmm	mmm	NOUN
ijassa-897	37	30	)	)	PUNCT
ijassa-897	37	31	.	.	PUNCT
ijassa-897	38	1	1	1	X
ijassa-897	38	2	.	.	X
ijassa-897	38	3	conformations	conformation	NOUN
ijassa-897	38	4	(	(	PUNCT
ijassa-897	38	5	macromolecule	macromolecule	NOUN
ijassa-897	38	6	atoms	atom	NOUN
ijassa-897	38	7	’	'	PUNCT
ijassa-897	38	8	positions	position	NOUN
ijassa-897	38	9	on	on	ADP
ijassa-897	38	10	a	a	DET
ijassa-897	38	11	scene	scene	NOUN
ijassa-897	38	12	)	)	PUNCT
ijassa-897	38	13	obtained	obtain	VERB
ijassa-897	38	14	from	from	ADP
ijassa-897	38	15	mmm	mmm	NOUN
ijassa-897	38	16	should	should	AUX
ijassa-897	38	17	be	be	AUX
ijassa-897	38	18	as	as	ADV
ijassa-897	38	19	realistic	realistic	ADJ
ijassa-897	38	20	as	as	ADP
ijassa-897	38	21	possible	possible	ADJ
ijassa-897	38	22	(	(	PUNCT
ijassa-897	38	23	conform	conform	VERB
ijassa-897	38	24	to	to	ADP
ijassa-897	38	25	real	real	ADJ
ijassa-897	38	26	positions	position	NOUN
ijassa-897	38	27	of	of	ADP
ijassa-897	38	28	atoms	atom	NOUN
ijassa-897	38	29	in	in	ADP
ijassa-897	38	30	a	a	DET
ijassa-897	38	31	polymer	polymer	NOUN
ijassa-897	38	32	membrane	membrane	NOUN
ijassa-897	38	33	)	)	PUNCT
ijassa-897	38	34	.	.	PUNCT
ijassa-897	39	1	2	2	X
ijassa-897	39	2	.	.	X
ijassa-897	39	3	manual	manual	ADJ
ijassa-897	39	4	tuning	tuning	NOUN
ijassa-897	39	5	of	of	ADP
ijassa-897	39	6	the	the	DET
ijassa-897	39	7	mmm	mmm	PROPN
ijassa-897	39	8	algorithm	algorithm	NOUN
ijassa-897	39	9	should	should	AUX
ijassa-897	39	10	be	be	AUX
ijassa-897	39	11	avoided	avoid	VERB
ijassa-897	39	12	,	,	PUNCT
ijassa-897	39	13	and	and	CCONJ
ijassa-897	39	14	the	the	DET
ijassa-897	39	15	algorithm	algorithm	NOUN
ijassa-897	39	16	should	should	AUX
ijassa-897	39	17	be	be	AUX
ijassa-897	39	18	as	as	ADV
ijassa-897	39	19	automated	automate	VERB
ijassa-897	39	20	as	as	ADP
ijassa-897	39	21	possible	possible	ADJ
ijassa-897	39	22	.	.	PUNCT
ijassa-897	40	1	3	3	X
ijassa-897	40	2	.	.	X
ijassa-897	40	3	the	the	DET
ijassa-897	40	4	mmm	mmm	PROPN
ijassa-897	40	5	algorithm	algorithm	NOUN
ijassa-897	40	6	should	should	AUX
ijassa-897	40	7	be	be	AUX
ijassa-897	40	8	able	able	ADJ
ijassa-897	40	9	to	to	PART
ijassa-897	40	10	parallelize	parallelize	VERB
ijassa-897	40	11	on	on	ADP
ijassa-897	40	12	a	a	DET
ijassa-897	40	13	server	server	NOUN
ijassa-897	40	14	and	and	CCONJ
ijassa-897	40	15	have	have	VERB
ijassa-897	40	16	an	an	DET
ijassa-897	40	17	acceptable	acceptable	ADJ
ijassa-897	40	18	calculation	calculation	NOUN
ijassa-897	40	19	time	time	NOUN
ijassa-897	40	20	for	for	ADP
ijassa-897	40	21	one	one	NUM
ijassa-897	40	22	polymer	polymer	NOUN
ijassa-897	40	23	.	.	PUNCT
ijassa-897	41	1	4	4	X
ijassa-897	41	2	.	.	X
ijassa-897	41	3	the	the	DET
ijassa-897	41	4	method	method	NOUN
ijassa-897	41	5	should	should	AUX
ijassa-897	41	6	ensure	ensure	VERB
ijassa-897	41	7	the	the	DET
ijassa-897	41	8	stability	stability	NOUN
ijassa-897	41	9	of	of	ADP
ijassa-897	41	10	the	the	DET
ijassa-897	41	11	results	result	NOUN
ijassa-897	41	12	and	and	CCONJ
ijassa-897	41	13	their	their	PRON
ijassa-897	41	14	reproducibility	reproducibility	NOUN
ijassa-897	41	15	.	.	PUNCT
ijassa-897	42	1	5	5	X
ijassa-897	42	2	.	.	PUNCT
ijassa-897	42	3	the	the	DET
ijassa-897	42	4	method	method	NOUN
ijassa-897	42	5	should	should	AUX
ijassa-897	42	6	be	be	AUX
ijassa-897	42	7	applicable	applicable	ADJ
ijassa-897	42	8	to	to	ADP
ijassa-897	42	9	specific	specific	ADJ
ijassa-897	42	10	polymers	polymer	NOUN
ijassa-897	42	11	used	use	VERB
ijassa-897	42	12	in	in	ADP
ijassa-897	42	13	membrane	membrane	NOUN
ijassa-897	42	14	gas	gas	NOUN
ijassa-897	42	15	separation	separation	NOUN
ijassa-897	42	16	.	.	PUNCT
ijassa-897	43	1	6	6	X
ijassa-897	43	2	.	.	PUNCT
ijassa-897	43	3	the	the	DET
ijassa-897	43	4	method	method	NOUN
ijassa-897	43	5	should	should	AUX
ijassa-897	43	6	use	use	VERB
ijassa-897	43	7	the	the	DET
ijassa-897	43	8	free	free	ADJ
ijassa-897	43	9	software	software	NOUN
ijassa-897	43	10	.	.	PUNCT
ijassa-897	44	1	in	in	ADP
ijassa-897	44	2	this	this	DET
ijassa-897	44	3	paper	paper	NOUN
ijassa-897	44	4	,	,	PUNCT
ijassa-897	44	5	we	we	PRON
ijassa-897	44	6	further	far	ADV
ijassa-897	44	7	improve	improve	VERB
ijassa-897	44	8	the	the	DET
ijassa-897	44	9	mmm	mmm	NOUN
ijassa-897	44	10	method	method	NOUN
ijassa-897	44	11	from	from	ADP
ijassa-897	44	12	[	[	X
ijassa-897	44	13	11,10	11,10	NOUN
ijassa-897	44	14	]	]	PUNCT
ijassa-897	44	15	,	,	PUNCT
ijassa-897	44	16	which	which	PRON
ijassa-897	44	17	is	be	AUX
ijassa-897	44	18	based	base	VERB
ijassa-897	44	19	on	on	ADP
ijassa-897	44	20	the	the	DET
ijassa-897	44	21	modeling	modeling	NOUN
ijassa-897	44	22	of	of	ADP
ijassa-897	44	23	conformations	conformation	NOUN
ijassa-897	44	24	of	of	ADP
ijassa-897	44	25	the	the	DET
ijassa-897	44	26	polymer	polymer	NOUN
ijassa-897	44	27	macromolecule	macromolecule	NOUN
ijassa-897	44	28	of	of	ADP
ijassa-897	44	29	about	about	ADV
ijassa-897	44	30	several	several	ADJ
ijassa-897	44	31	hundred	hundred	NUM
ijassa-897	44	32	atoms	atom	NOUN
ijassa-897	44	33	size	size	NOUN
ijassa-897	44	34	.	.	PUNCT
ijassa-897	45	1	in	in	ADP
ijassa-897	45	2	[	[	X
ijassa-897	45	3	11	11	NUM
ijassa-897	45	4	]	]	PUNCT
ijassa-897	45	5	,	,	PUNCT
ijassa-897	45	6	for	for	ADP
ijassa-897	45	7	each	each	DET
ijassa-897	45	8	polymer	polymer	NOUN
ijassa-897	45	9	,	,	PUNCT
ijassa-897	45	10	an	an	DET
ijassa-897	45	11	oligomer	oligomer	NOUN
ijassa-897	45	12	(	(	PUNCT
ijassa-897	45	13	200–600	200–600	NUM
ijassa-897	45	14	atoms	atom	NOUN
ijassa-897	45	15	length	length	NOUN
ijassa-897	45	16	)	)	PUNCT
ijassa-897	45	17	consisting	consist	VERB
ijassa-897	45	18	of	of	ADP
ijassa-897	45	19	several	several	ADJ
ijassa-897	45	20	polymer	polymer	NOUN
ijassa-897	45	21	monomer	monomer	NOUN
ijassa-897	45	22	units	unit	NOUN
ijassa-897	45	23	,	,	PUNCT
ijassa-897	45	24	was	be	AUX
ijassa-897	45	25	created	create	VERB
ijassa-897	45	26	in	in	ADP
ijassa-897	45	27	the	the	DET
ijassa-897	45	28	instantjchem	instantjchem	NOUN
ijassa-897	45	29	molecular	molecular	ADJ
ijassa-897	45	30	simulation	simulation	NOUN
ijassa-897	45	31	environment	environment	NOUN
ijassa-897	45	32	[	[	X
ijassa-897	45	33	4	4	NUM
ijassa-897	45	34	]	]	PUNCT
ijassa-897	45	35	.	.	PUNCT
ijassa-897	46	1	for	for	ADP
ijassa-897	46	2	this	this	DET
ijassa-897	46	3	chain	chain	NOUN
ijassa-897	46	4	,	,	PUNCT
ijassa-897	46	5	using	use	VERB
ijassa-897	46	6	conformer	conformer	NOUN
ijassa-897	46	7	plugin	plugin	NOUN
ijassa-897	46	8	[	[	X
ijassa-897	46	9	6	6	NUM
ijassa-897	46	10	]	]	PUNCT
ijassa-897	46	11	of	of	ADP
ijassa-897	46	12	the	the	DET
ijassa-897	46	13	instantjchem	instantjchem	NOUN
ijassa-897	46	14	chemaxon	chemaxon	NOUN
ijassa-897	46	15	package	package	NOUN
ijassa-897	46	16	,	,	PUNCT
ijassa-897	46	17	several	several	ADJ
ijassa-897	46	18	conformations	conformation	NOUN
ijassa-897	46	19	of	of	ADP
ijassa-897	46	20	a	a	DET
ijassa-897	46	21	short	short	ADJ
ijassa-897	46	22	chain	chain	NOUN
ijassa-897	46	23	segment	segment	NOUN
ijassa-897	46	24	of	of	ADP
ijassa-897	46	25	the	the	DET
ijassa-897	46	26	polymer	polymer	NOUN
ijassa-897	46	27	under	under	ADP
ijassa-897	46	28	consideration	consideration	NOUN
ijassa-897	46	29	(	(	PUNCT
ijassa-897	46	30	typically	typically	ADV
ijassa-897	46	31	including	include	VERB
ijassa-897	46	32	several	several	ADJ
ijassa-897	46	33	monomer	monomer	NOUN
ijassa-897	46	34	units	unit	NOUN
ijassa-897	46	35	and	and	CCONJ
ijassa-897	46	36	from	from	ADP
ijassa-897	46	37	200	200	NUM
ijassa-897	46	38	to	to	PART
ijassa-897	46	39	600	600	NUM
ijassa-897	46	40	atoms	atom	NOUN
ijassa-897	46	41	)	)	PUNCT
ijassa-897	46	42	are	be	AUX
ijassa-897	46	43	generated	generate	VERB
ijassa-897	46	44	by	by	ADP
ijassa-897	46	45	relaxation	relaxation	NOUN
ijassa-897	46	46	in	in	ADP
ijassa-897	46	47	the	the	DET
ijassa-897	46	48	empirical	empirical	ADJ
ijassa-897	46	49	dreiding	dreide	VERB
ijassa-897	46	50	field	field	NOUN
ijassa-897	46	51	from	from	ADP
ijassa-897	46	52	random	random	ADJ
ijassa-897	46	53	initial	initial	ADJ
ijassa-897	46	54	positions	position	NOUN
ijassa-897	46	55	of	of	ADP
ijassa-897	46	56	atoms	atom	NOUN
ijassa-897	46	57	.	.	PUNCT
ijassa-897	47	1	further	further	ADJ
ijassa-897	47	2	calculation	calculation	NOUN
ijassa-897	47	3	of	of	ADP
ijassa-897	47	4	the	the	DET
ijassa-897	47	5	indices	index	NOUN
ijassa-897	47	6	necessary	necessary	ADJ
ijassa-897	47	7	for	for	ADP
ijassa-897	47	8	constructing	construct	VERB
ijassa-897	47	9	the	the	DET
ijassa-897	47	10	regression	regression	NOUN
ijassa-897	47	11	model	model	NOUN
ijassa-897	47	12	was	be	AUX
ijassa-897	47	13	also	also	ADV
ijassa-897	47	14	performed	perform	VERB
ijassa-897	47	15	using	use	VERB
ijassa-897	47	16	instantjchem	instantjchem	NOUN
ijassa-897	47	17	tools	tool	NOUN
ijassa-897	47	18	.	.	PUNCT
ijassa-897	48	1	despite	despite	SCONJ
ijassa-897	48	2	the	the	DET
ijassa-897	48	3	fact	fact	NOUN
ijassa-897	48	4	that	that	SCONJ
ijassa-897	48	5	,	,	PUNCT
ijassa-897	48	6	using	use	VERB
ijassa-897	48	7	the	the	DET
ijassa-897	48	8	obtained	obtain	VERB
ijassa-897	48	9	conformations	conformation	NOUN
ijassa-897	48	10	,	,	PUNCT
ijassa-897	48	11	one	one	NUM
ijassa-897	48	12	of	of	ADP
ijassa-897	48	13	the	the	DET
ijassa-897	48	14	transport	transport	NOUN
ijassa-897	48	15	parameters	parameter	NOUN
ijassa-897	48	16	of	of	ADP
ijassa-897	48	17	polymer	polymer	NOUN
ijassa-897	48	18	membranes	membrane	NOUN
ijassa-897	48	19	,	,	PUNCT
ijassa-897	48	20	s	s	VERB
ijassa-897	48	21	solubility	solubility	NOUN
ijassa-897	48	22	,	,	PUNCT
ijassa-897	48	23	was	be	AUX
ijassa-897	48	24	successfully	successfully	ADV
ijassa-897	48	25	predicted	predict	VERB
ijassa-897	48	26	,	,	PUNCT
ijassa-897	48	27	this	this	DET
ijassa-897	48	28	approach	approach	NOUN
ijassa-897	48	29	did	do	AUX
ijassa-897	48	30	not	not	PART
ijassa-897	48	31	meet	meet	VERB
ijassa-897	48	32	many	many	ADJ
ijassa-897	48	33	criteria	criterion	NOUN
ijassa-897	48	34	,	,	PUNCT
ijassa-897	48	35	listed	list	VERB
ijassa-897	48	36	above	above	ADV
ijassa-897	48	37	.	.	PUNCT
ijassa-897	49	1	the	the	DET
ijassa-897	49	2	most	most	ADV
ijassa-897	49	3	important	important	ADJ
ijassa-897	49	4	drawback	drawback	NOUN
ijassa-897	49	5	is	be	AUX
ijassa-897	49	6	the	the	DET
ijassa-897	49	7	classifying	classify	VERB
ijassa-897	49	8	amorphous	amorphous	ADJ
ijassa-897	49	9	polymers	polymer	NOUN
ijassa-897	49	10	for	for	ADP
ijassa-897	49	11	membrane	membrane	NOUN
ijassa-897	49	12	technology	technology	NOUN
ijassa-897	49	13	…	…	PUNCT
ijassa-897	49	14	93	93	NUM
ijassa-897	49	15	copyright	copyright	NOUN
ijassa-897	49	16	©	©	PROPN
ijassa-897	49	17	2020	2020	NUM
ijassa-897	49	18	assa	assa	NOUN
ijassa-897	49	19	.	.	PUNCT
ijassa-897	50	1	adv	adv	PROPN
ijassa-897	50	2	.	.	PUNCT
ijassa-897	51	1	in	in	ADP
ijassa-897	51	2	systems	system	NOUN
ijassa-897	51	3	science	science	NOUN
ijassa-897	51	4	and	and	CCONJ
ijassa-897	51	5	appl	appl	NOUN
ijassa-897	51	6	.	.	PUNCT
ijassa-897	52	1	(	(	PUNCT
ijassa-897	52	2	2020	2020	NUM
ijassa-897	52	3	)	)	PUNCT
ijassa-897	52	4	unrealistic	unrealistic	ADJ
ijassa-897	52	5	nature	nature	NOUN
ijassa-897	52	6	of	of	ADP
ijassa-897	52	7	the	the	DET
ijassa-897	52	8	many	many	ADJ
ijassa-897	52	9	conformations	conformation	NOUN
ijassa-897	52	10	obtained	obtain	VERB
ijassa-897	52	11	,	,	PUNCT
ijassa-897	52	12	as	as	ADV
ijassa-897	52	13	well	well	ADV
ijassa-897	52	14	as	as	ADP
ijassa-897	52	15	the	the	DET
ijassa-897	52	16	difficulty	difficulty	NOUN
ijassa-897	52	17	in	in	ADP
ijassa-897	52	18	expanding	expand	VERB
ijassa-897	52	19	this	this	DET
ijassa-897	52	20	solution	solution	NOUN
ijassa-897	52	21	to	to	ADP
ijassa-897	52	22	server	server	NOUN
ijassa-897	52	23	platforms	platform	NOUN
ijassa-897	52	24	.	.	PUNCT
ijassa-897	53	1	in	in	ADP
ijassa-897	53	2	[	[	X
ijassa-897	53	3	10	10	NUM
ijassa-897	53	4	]	]	PUNCT
ijassa-897	53	5	,	,	PUNCT
ijassa-897	53	6	the	the	DET
ijassa-897	53	7	problem	problem	NOUN
ijassa-897	53	8	of	of	ADP
ijassa-897	53	9	the	the	DET
ijassa-897	53	10	unreality	unreality	NOUN
ijassa-897	53	11	of	of	ADP
ijassa-897	53	12	the	the	DET
ijassa-897	53	13	obtained	obtain	VERB
ijassa-897	53	14	conformations	conformation	NOUN
ijassa-897	53	15	was	be	AUX
ijassa-897	53	16	solved	solve	VERB
ijassa-897	53	17	by	by	ADP
ijassa-897	53	18	performing	perform	VERB
ijassa-897	53	19	their	their	PRON
ijassa-897	53	20	modeling	modeling	NOUN
ijassa-897	53	21	in	in	ADP
ijassa-897	53	22	a	a	DET
ijassa-897	53	23	program	program	NOUN
ijassa-897	53	24	in	in	ADP
ijassa-897	53	25	the	the	DET
ijassa-897	53	26	perkinelmer	perkinelmer	NOUN
ijassa-897	53	27	chem3d	chem3d	NOUN
ijassa-897	53	28	package	package	VERB
ijassa-897	54	1	[	[	X
ijassa-897	54	2	5	5	NUM
ijassa-897	54	3	]	]	PUNCT
ijassa-897	54	4	using	use	VERB
ijassa-897	54	5	a	a	DET
ijassa-897	54	6	similar	similar	ADJ
ijassa-897	54	7	technique	technique	NOUN
ijassa-897	54	8	.	.	PUNCT
ijassa-897	55	1	to	to	PART
ijassa-897	55	2	assign	assign	VERB
ijassa-897	55	3	a	a	DET
ijassa-897	55	4	random	random	ADJ
ijassa-897	55	5	initial	initial	ADJ
ijassa-897	55	6	position	position	NOUN
ijassa-897	55	7	of	of	ADP
ijassa-897	55	8	atoms	atom	NOUN
ijassa-897	55	9	to	to	ADP
ijassa-897	55	10	the	the	DET
ijassa-897	55	11	simulated	simulate	VERB
ijassa-897	55	12	polymer	polymer	NOUN
ijassa-897	55	13	chain	chain	NOUN
ijassa-897	55	14	,	,	PUNCT
ijassa-897	55	15	molecular	molecular	ADJ
ijassa-897	55	16	mechanics	mechanic	NOUN
ijassa-897	55	17	simulation	simulation	NOUN
ijassa-897	55	18	was	be	AUX
ijassa-897	55	19	performed	perform	VERB
ijassa-897	55	20	at	at	ADP
ijassa-897	55	21	a	a	DET
ijassa-897	55	22	temperature	temperature	NOUN
ijassa-897	55	23	of	of	ADP
ijassa-897	55	24	300	300	NUM
ijassa-897	55	25	k	k	NOUN
ijassa-897	55	26	to	to	ADP
ijassa-897	55	27	3000	3000	NUM
ijassa-897	55	28	k	k	NOUN
ijassa-897	55	29	for	for	ADP
ijassa-897	55	30	1000	1000	NUM
ijassa-897	55	31	iterations	iteration	NOUN
ijassa-897	55	32	,	,	PUNCT
ijassa-897	55	33	after	after	ADP
ijassa-897	55	34	which	which	PRON
ijassa-897	55	35	the	the	DET
ijassa-897	55	36	resulting	result	VERB
ijassa-897	55	37	structure	structure	NOUN
ijassa-897	55	38	was	be	AUX
ijassa-897	55	39	optimized	optimize	VERB
ijassa-897	55	40	by	by	ADP
ijassa-897	55	41	free	free	ADJ
ijassa-897	55	42	energy	energy	NOUN
ijassa-897	55	43	in	in	ADP
ijassa-897	55	44	the	the	DET
ijassa-897	55	45	empirical	empirical	ADJ
ijassa-897	55	46	field	field	NOUN
ijassa-897	55	47	mm2	mm2	NOUN
ijassa-897	55	48	.	.	PUNCT
ijassa-897	56	1	this	this	DET
ijassa-897	56	2	approach	approach	NOUN
ijassa-897	56	3	showed	show	VERB
ijassa-897	56	4	good	good	ADJ
ijassa-897	56	5	results	result	NOUN
ijassa-897	56	6	in	in	ADP
ijassa-897	56	7	terms	term	NOUN
ijassa-897	56	8	of	of	ADP
ijassa-897	56	9	realistic	realistic	ADJ
ijassa-897	56	10	conformations	conformation	NOUN
ijassa-897	56	11	,	,	PUNCT
ijassa-897	56	12	but	but	CCONJ
ijassa-897	56	13	made	make	VERB
ijassa-897	56	14	it	it	PRON
ijassa-897	56	15	impossible	impossible	ADJ
ijassa-897	56	16	to	to	PART
ijassa-897	56	17	automate	automate	VERB
ijassa-897	56	18	the	the	DET
ijassa-897	56	19	mmm	mmm	NOUN
ijassa-897	56	20	process	process	NOUN
ijassa-897	56	21	and	and	CCONJ
ijassa-897	56	22	did	do	AUX
ijassa-897	56	23	not	not	PART
ijassa-897	56	24	allow	allow	VERB
ijassa-897	56	25	the	the	DET
ijassa-897	56	26	efficient	efficient	ADJ
ijassa-897	56	27	use	use	NOUN
ijassa-897	56	28	of	of	ADP
ijassa-897	56	29	multiprocessor	multiprocessor	NOUN
ijassa-897	56	30	systems	system	NOUN
ijassa-897	56	31	.	.	PUNCT
ijassa-897	57	1	during	during	ADP
ijassa-897	57	2	the	the	DET
ijassa-897	57	3	search	search	NOUN
ijassa-897	57	4	,	,	PUNCT
ijassa-897	57	5	many	many	ADJ
ijassa-897	57	6	different	different	ADJ
ijassa-897	57	7	mmm	mmm	NOUN
ijassa-897	57	8	solutions	solution	NOUN
ijassa-897	57	9	were	be	AUX
ijassa-897	57	10	tested	test	VERB
ijassa-897	57	11	,	,	PUNCT
ijassa-897	57	12	for	for	ADP
ijassa-897	57	13	example	example	NOUN
ijassa-897	57	14	,	,	PUNCT
ijassa-897	57	15	lammps	lammp	VERB
ijassa-897	57	16	[	[	X
ijassa-897	57	17	12	12	NUM
ijassa-897	57	18	]	]	PUNCT
ijassa-897	57	19	,	,	PUNCT
ijassa-897	57	20	openmm	openmm	PROPN
ijassa-897	58	1	[	[	X
ijassa-897	58	2	7	7	NUM
ijassa-897	58	3	]	]	PUNCT
ijassa-897	58	4	,	,	PUNCT
ijassa-897	58	5	hoomd	hoomd	NOUN
ijassa-897	58	6	-	-	PUNCT
ijassa-897	58	7	blue	blue	ADJ
ijassa-897	58	8	[	[	X
ijassa-897	58	9	3,9	3,9	NUM
ijassa-897	58	10	]	]	PUNCT
ijassa-897	58	11	and	and	CCONJ
ijassa-897	58	12	others	other	NOUN
ijassa-897	58	13	.	.	PUNCT
ijassa-897	59	1	some	some	DET
ijassa-897	59	2	solutions	solution	NOUN
ijassa-897	59	3	did	do	AUX
ijassa-897	59	4	not	not	PART
ijassa-897	59	5	allow	allow	VERB
ijassa-897	59	6	automation	automation	NOUN
ijassa-897	59	7	of	of	ADP
ijassa-897	59	8	the	the	DET
ijassa-897	59	9	process	process	NOUN
ijassa-897	59	10	(	(	PUNCT
ijassa-897	59	11	lammps	lammps	PROPN
ijassa-897	59	12	)	)	PUNCT
ijassa-897	59	13	,	,	PUNCT
ijassa-897	59	14	the	the	DET
ijassa-897	59	15	others	other	NOUN
ijassa-897	59	16	(	(	PUNCT
ijassa-897	59	17	e.g.	e.g.	ADV
ijassa-897	59	18	,	,	PUNCT
ijassa-897	59	19	openmm	openmm	NUM
ijassa-897	59	20	)	)	PUNCT
ijassa-897	59	21	were	be	AUX
ijassa-897	59	22	developed	develop	VERB
ijassa-897	59	23	for	for	ADP
ijassa-897	59	24	biopolymers	biopolymer	NOUN
ijassa-897	59	25	and	and	CCONJ
ijassa-897	59	26	had	have	VERB
ijassa-897	59	27	no	no	DET
ijassa-897	59	28	empirical	empirical	ADJ
ijassa-897	59	29	force	force	NOUN
ijassa-897	59	30	fields	field	NOUN
ijassa-897	59	31	relevant	relevant	ADJ
ijassa-897	59	32	for	for	ADP
ijassa-897	59	33	glassy	glassy	NOUN
ijassa-897	59	34	polymers	polymer	NOUN
ijassa-897	59	35	used	use	VERB
ijassa-897	59	36	in	in	ADP
ijassa-897	59	37	membrane	membrane	NOUN
ijassa-897	59	38	gas	gas	NOUN
ijassa-897	59	39	separation	separation	NOUN
ijassa-897	59	40	.	.	PUNCT
ijassa-897	60	1	rdkit	rdkit	ADJ
ijassa-897	60	2	package	package	NOUN
ijassa-897	60	3	[	[	X
ijassa-897	60	4	16	16	NUM
ijassa-897	60	5	]	]	X
ijassa-897	60	6	an	an	DET
ijassa-897	60	7	open	open	ADJ
ijassa-897	60	8	-	-	PUNCT
ijassa-897	60	9	source	source	NOUN
ijassa-897	60	10	toolkit	toolkit	NOUN
ijassa-897	60	11	–	–	PUNCT
ijassa-897	60	12	is	be	AUX
ijassa-897	60	13	widely	widely	ADV
ijassa-897	60	14	used	use	VERB
ijassa-897	60	15	by	by	ADP
ijassa-897	60	16	the	the	DET
ijassa-897	60	17	scientific	scientific	ADJ
ijassa-897	60	18	community	community	NOUN
ijassa-897	60	19	to	to	PART
ijassa-897	60	20	solve	solve	VERB
ijassa-897	60	21	various	various	ADJ
ijassa-897	60	22	problems	problem	NOUN
ijassa-897	60	23	in	in	ADP
ijassa-897	60	24	chemoinformatics	chemoinformatic	NOUN
ijassa-897	60	25	and	and	CCONJ
ijassa-897	60	26	machine	machine	NOUN
ijassa-897	60	27	learning	learning	NOUN
ijassa-897	60	28	.	.	PUNCT
ijassa-897	61	1	the	the	DET
ijassa-897	61	2	main	main	ADJ
ijassa-897	61	3	data	datum	NOUN
ijassa-897	61	4	structures	structure	NOUN
ijassa-897	61	5	and	and	CCONJ
ijassa-897	61	6	rdkit	rdkit	ADJ
ijassa-897	61	7	algorithms	algorithm	NOUN
ijassa-897	61	8	are	be	AUX
ijassa-897	61	9	written	write	VERB
ijassa-897	61	10	in	in	ADP
ijassa-897	61	11	c++	c++	NOUN
ijassa-897	61	12	,	,	PUNCT
ijassa-897	61	13	which	which	PRON
ijassa-897	61	14	ensures	ensure	VERB
ijassa-897	61	15	high	high	ADJ
ijassa-897	61	16	performance	performance	NOUN
ijassa-897	61	17	.	.	PUNCT
ijassa-897	62	1	rdkit	rdkit	PROPN
ijassa-897	62	2	also	also	ADV
ijassa-897	62	3	has	have	VERB
ijassa-897	62	4	shells	shell	NOUN
ijassa-897	62	5	in	in	ADP
ijassa-897	62	6	python	python	PROPN
ijassa-897	62	7	,	,	PUNCT
ijassa-897	62	8	java	java	PROPN
ijassa-897	62	9	,	,	PUNCT
ijassa-897	62	10	and	and	CCONJ
ijassa-897	62	11	c	c	NOUN
ijassa-897	62	12	#	#	NOUN
ijassa-897	62	13	,	,	PUNCT
ijassa-897	62	14	which	which	PRON
ijassa-897	62	15	makes	make	VERB
ijassa-897	62	16	it	it	PRON
ijassa-897	62	17	easy	easy	ADJ
ijassa-897	62	18	to	to	PART
ijassa-897	62	19	use	use	VERB
ijassa-897	62	20	.	.	PUNCT
ijassa-897	63	1	to	to	PART
ijassa-897	63	2	arrange	arrange	VERB
ijassa-897	63	3	the	the	DET
ijassa-897	63	4	molecule	molecule	NOUN
ijassa-897	63	5	in	in	ADP
ijassa-897	63	6	3d	3d	NUM
ijassa-897	63	7	space	space	NOUN
ijassa-897	63	8	in	in	ADP
ijassa-897	63	9	the	the	DET
ijassa-897	63	10	rdkit	rdkit	ADJ
ijassa-897	63	11	environment	environment	NOUN
ijassa-897	63	12	,	,	PUNCT
ijassa-897	63	13	the	the	DET
ijassa-897	63	14	flexible	flexible	ADJ
ijassa-897	63	15	embedmolecule	embedmolecule	NOUN
ijassa-897	63	16	procedure	procedure	NOUN
ijassa-897	63	17	is	be	AUX
ijassa-897	63	18	used	use	VERB
ijassa-897	63	19	[	[	PUNCT
ijassa-897	63	20	15	15	NUM
ijassa-897	63	21	]	]	PUNCT
ijassa-897	63	22	.	.	PUNCT
ijassa-897	64	1	the	the	DET
ijassa-897	64	2	initial	initial	ADJ
ijassa-897	64	3	coordinates	coordinate	NOUN
ijassa-897	64	4	of	of	ADP
ijassa-897	64	5	atoms	atom	NOUN
ijassa-897	64	6	positions	position	NOUN
ijassa-897	64	7	in	in	ADP
ijassa-897	64	8	molecule	molecule	NOUN
ijassa-897	64	9	can	can	AUX
ijassa-897	64	10	be	be	AUX
ijassa-897	64	11	determined	determine	VERB
ijassa-897	64	12	both	both	CCONJ
ijassa-897	64	13	through	through	ADP
ijassa-897	64	14	the	the	DET
ijassa-897	64	15	eigenvalues	eigenvalue	NOUN
ijassa-897	64	16	of	of	ADP
ijassa-897	64	17	the	the	DET
ijassa-897	64	18	distance	distance	NOUN
ijassa-897	64	19	matrix	matrix	NOUN
ijassa-897	64	20	,	,	PUNCT
ijassa-897	64	21	and	and	CCONJ
ijassa-897	64	22	through	through	ADP
ijassa-897	64	23	a	a	DET
ijassa-897	64	24	random	random	ADJ
ijassa-897	64	25	positioning	positioning	NOUN
ijassa-897	64	26	of	of	ADP
ijassa-897	64	27	atoms	atom	NOUN
ijassa-897	64	28	,	,	PUNCT
ijassa-897	64	29	and	and	CCONJ
ijassa-897	64	30	the	the	DET
ijassa-897	64	31	value	value	NOUN
ijassa-897	64	32	of	of	ADP
ijassa-897	64	33	the	the	DET
ijassa-897	64	34	random	random	ADJ
ijassa-897	64	35	number	number	NOUN
ijassa-897	64	36	generator	generator	NOUN
ijassa-897	64	37	can	can	AUX
ijassa-897	64	38	be	be	AUX
ijassa-897	64	39	fixed	fix	VERB
ijassa-897	64	40	,	,	PUNCT
ijassa-897	64	41	which	which	PRON
ijassa-897	64	42	will	will	AUX
ijassa-897	64	43	later	later	ADV
ijassa-897	64	44	make	make	VERB
ijassa-897	64	45	it	it	PRON
ijassa-897	64	46	possible	possible	ADJ
ijassa-897	64	47	to	to	PART
ijassa-897	64	48	obtain	obtain	VERB
ijassa-897	64	49	the	the	DET
ijassa-897	64	50	same	same	ADJ
ijassa-897	64	51	molecule	molecule	NOUN
ijassa-897	64	52	.	.	PUNCT
ijassa-897	65	1	then	then	ADV
ijassa-897	65	2	mmm	mmm	INTJ
ijassa-897	65	3	is	be	AUX
ijassa-897	65	4	performed	perform	VERB
ijassa-897	65	5	in	in	ADP
ijassa-897	65	6	an	an	DET
ijassa-897	65	7	empirical	empirical	ADJ
ijassa-897	65	8	force	force	NOUN
ijassa-897	65	9	field	field	NOUN
ijassa-897	65	10	uff	uff	PROPN
ijassa-897	65	11	(	(	PUNCT
ijassa-897	65	12	universal	universal	ADJ
ijassa-897	65	13	force	force	NOUN
ijassa-897	65	14	field	field	NOUN
ijassa-897	66	1	[	[	X
ijassa-897	66	2	14	14	NUM
ijassa-897	66	3	]	]	PUNCT
ijassa-897	66	4	)	)	PUNCT
ijassa-897	66	5	.	.	PUNCT
ijassa-897	67	1	it	it	PRON
ijassa-897	67	2	is	be	AUX
ijassa-897	67	3	important	important	ADJ
ijassa-897	67	4	that	that	SCONJ
ijassa-897	67	5	rdkit	rdkit	ADJ
ijassa-897	67	6	tools	tool	NOUN
ijassa-897	67	7	allow	allow	VERB
ijassa-897	67	8	to	to	PART
ijassa-897	67	9	fix	fix	VERB
ijassa-897	67	10	the	the	DET
ijassa-897	67	11	part	part	NOUN
ijassa-897	67	12	of	of	ADP
ijassa-897	67	13	a	a	DET
ijassa-897	67	14	molecule	molecule	NOUN
ijassa-897	67	15	during	during	ADP
ijassa-897	67	16	mmm	mmm	PROPN
ijassa-897	67	17	.	.	PUNCT
ijassa-897	68	1	the	the	DET
ijassa-897	68	2	polymer	polymer	NOUN
ijassa-897	68	3	chain	chain	NOUN
ijassa-897	68	4	is	be	AUX
ijassa-897	68	5	built	build	VERB
ijassa-897	68	6	by	by	ADP
ijassa-897	68	7	a	a	DET
ijassa-897	68	8	simple	simple	ADJ
ijassa-897	68	9	algorithm	algorithm	NOUN
ijassa-897	68	10	,	,	PUNCT
ijassa-897	68	11	which	which	PRON
ijassa-897	68	12	uses	use	VERB
ijassa-897	68	13	the	the	DET
ijassa-897	68	14	embedmolecule	embedmolecule	NOUN
ijassa-897	68	15	function	function	NOUN
ijassa-897	68	16	of	of	ADP
ijassa-897	68	17	rdkit	rdkit	NOUN
ijassa-897	68	18	and	and	CCONJ
ijassa-897	68	19	roughly	roughly	ADV
ijassa-897	68	20	mimics	mimic	VERB
ijassa-897	68	21	the	the	DET
ijassa-897	68	22	real	real	ADJ
ijassa-897	68	23	process	process	NOUN
ijassa-897	68	24	of	of	ADP
ijassa-897	68	25	polymerization	polymerization	NOUN
ijassa-897	68	26	.	.	PUNCT
ijassa-897	69	1	at	at	ADP
ijassa-897	69	2	the	the	DET
ijassa-897	69	3	beginning	beginning	NOUN
ijassa-897	69	4	,	,	PUNCT
ijassa-897	69	5	the	the	DET
ijassa-897	69	6	monomer	monomer	NOUN
ijassa-897	69	7	unit	unit	NOUN
ijassa-897	69	8	of	of	ADP
ijassa-897	69	9	the	the	DET
ijassa-897	69	10	polymer	polymer	NOUN
ijassa-897	69	11	is	be	AUX
ijassa-897	69	12	located	locate	VERB
ijassa-897	69	13	in	in	ADP
ijassa-897	69	14	the	the	DET
ijassa-897	69	15	space	space	NOUN
ijassa-897	69	16	,	,	PUNCT
ijassa-897	69	17	then	then	ADV
ijassa-897	69	18	a	a	DET
ijassa-897	69	19	similarly	similarly	ADV
ijassa-897	69	20	processed	process	VERB
ijassa-897	69	21	unit	unit	NOUN
ijassa-897	69	22	is	be	AUX
ijassa-897	69	23	added	add	VERB
ijassa-897	69	24	to	to	ADP
ijassa-897	69	25	it	it	PRON
ijassa-897	69	26	,	,	PUNCT
ijassa-897	69	27	but	but	CCONJ
ijassa-897	69	28	with	with	ADP
ijassa-897	69	29	other	other	ADJ
ijassa-897	69	30	random	random	ADJ
ijassa-897	69	31	coordinates	coordinate	NOUN
ijassa-897	69	32	.	.	PUNCT
ijassa-897	70	1	all	all	DET
ijassa-897	70	2	atomic	atomic	ADJ
ijassa-897	70	3	coordinates	coordinate	NOUN
ijassa-897	70	4	,	,	PUNCT
ijassa-897	70	5	except	except	SCONJ
ijassa-897	70	6	the	the	DET
ijassa-897	70	7	atomic	atomic	ADJ
ijassa-897	70	8	coordinates	coordinate	NOUN
ijassa-897	70	9	of	of	ADP
ijassa-897	70	10	the	the	DET
ijassa-897	70	11	last	last	ADJ
ijassa-897	70	12	two	two	NUM
ijassa-897	70	13	added	add	VERB
ijassa-897	70	14	monomer	monomer	NOUN
ijassa-897	70	15	units	unit	NOUN
ijassa-897	70	16	,	,	PUNCT
ijassa-897	70	17	are	be	AUX
ijassa-897	70	18	fixed	fix	VERB
ijassa-897	70	19	,	,	PUNCT
ijassa-897	70	20	and	and	CCONJ
ijassa-897	70	21	two	two	NUM
ijassa-897	70	22	free	free	ADJ
ijassa-897	70	23	units	unit	NOUN
ijassa-897	70	24	undergo	undergo	VERB
ijassa-897	70	25	energy	energy	NOUN
ijassa-897	70	26	minimization	minimization	NOUN
ijassa-897	70	27	in	in	ADP
ijassa-897	70	28	the	the	DET
ijassa-897	70	29	uff	uff	PROPN
ijassa-897	70	30	field	field	NOUN
ijassa-897	70	31	,	,	PUNCT
ijassa-897	70	32	which	which	PRON
ijassa-897	70	33	simulates	simulate	VERB
ijassa-897	70	34	the	the	DET
ijassa-897	70	35	process	process	NOUN
ijassa-897	70	36	of	of	ADP
ijassa-897	70	37	sequential	sequential	ADJ
ijassa-897	70	38	polymerization	polymerization	NOUN
ijassa-897	70	39	of	of	ADP
ijassa-897	70	40	a	a	DET
ijassa-897	70	41	macromolecule	macromolecule	NOUN
ijassa-897	70	42	.	.	PUNCT
ijassa-897	71	1	in	in	ADP
ijassa-897	71	2	this	this	DET
ijassa-897	71	3	case	case	NOUN
ijassa-897	71	4	,	,	PUNCT
ijassa-897	71	5	the	the	DET
ijassa-897	71	6	algorithm	algorithm	NOUN
ijassa-897	71	7	takes	take	VERB
ijassa-897	71	8	into	into	ADP
ijassa-897	71	9	account	account	NOUN
ijassa-897	71	10	the	the	DET
ijassa-897	71	11	experimental	experimental	ADJ
ijassa-897	71	12	values	value	NOUN
ijassa-897	71	13	of	of	ADP
ijassa-897	71	14	the	the	DET
ijassa-897	71	15	torsion	torsion	NOUN
ijassa-897	71	16	angles	angle	NOUN
ijassa-897	71	17	and	and	CCONJ
ijassa-897	71	18	uses	use	VERB
ijassa-897	71	19	the	the	DET
ijassa-897	71	20	base	base	NOUN
ijassa-897	71	21	of	of	ADP
ijassa-897	71	22	universal	universal	ADJ
ijassa-897	71	23	rules	rule	NOUN
ijassa-897	71	24	for	for	ADP
ijassa-897	71	25	the	the	DET
ijassa-897	71	26	mutual	mutual	ADJ
ijassa-897	71	27	arrangement	arrangement	NOUN
ijassa-897	71	28	of	of	ADP
ijassa-897	71	29	atoms	atom	NOUN
ijassa-897	71	30	,	,	PUNCT
ijassa-897	71	31	for	for	ADP
ijassa-897	71	32	example	example	NOUN
ijassa-897	71	33	,	,	PUNCT
ijassa-897	71	34	the	the	DET
ijassa-897	71	35	mandatory	mandatory	ADJ
ijassa-897	71	36	presence	presence	NOUN
ijassa-897	71	37	in	in	ADP
ijassa-897	71	38	the	the	DET
ijassa-897	71	39	same	same	ADJ
ijassa-897	71	40	plane	plane	NOUN
ijassa-897	71	41	of	of	ADP
ijassa-897	71	42	the	the	DET
ijassa-897	71	43	atoms	atom	NOUN
ijassa-897	71	44	of	of	ADP
ijassa-897	71	45	the	the	DET
ijassa-897	71	46	benzene	benzene	NOUN
ijassa-897	71	47	ring	ring	NOUN
ijassa-897	71	48	.	.	PUNCT
ijassa-897	72	1	in	in	ADP
ijassa-897	72	2	less	less	ADJ
ijassa-897	72	3	than	than	ADP
ijassa-897	72	4	half	half	NOUN
ijassa-897	72	5	of	of	ADP
ijassa-897	72	6	the	the	DET
ijassa-897	72	7	samples	sample	NOUN
ijassa-897	72	8	,	,	PUNCT
ijassa-897	72	9	due	due	ADP
ijassa-897	72	10	to	to	ADP
ijassa-897	72	11	the	the	DET
ijassa-897	72	12	peculiarities	peculiarity	NOUN
ijassa-897	72	13	in	in	ADP
ijassa-897	72	14	their	their	PRON
ijassa-897	72	15	structure	structure	NOUN
ijassa-897	72	16	,	,	PUNCT
ijassa-897	72	17	attempts	attempt	VERB
ijassa-897	72	18	to	to	PART
ijassa-897	72	19	construct	construct	VERB
ijassa-897	72	20	a	a	DET
ijassa-897	72	21	macromolecule	macromolecule	NOUN
ijassa-897	72	22	in	in	ADP
ijassa-897	72	23	this	this	DET
ijassa-897	72	24	way	way	NOUN
ijassa-897	72	25	failed	fail	VERB
ijassa-897	72	26	after	after	ADP
ijassa-897	72	27	several	several	ADJ
ijassa-897	72	28	iterations	iteration	NOUN
ijassa-897	72	29	.	.	PUNCT
ijassa-897	73	1	in	in	ADP
ijassa-897	73	2	this	this	DET
ijassa-897	73	3	case	case	NOUN
ijassa-897	73	4	,	,	PUNCT
ijassa-897	73	5	the	the	DET
ijassa-897	73	6	procedure	procedure	NOUN
ijassa-897	73	7	of	of	ADP
ijassa-897	73	8	placing	place	VERB
ijassa-897	73	9	the	the	DET
ijassa-897	73	10	atoms	atom	NOUN
ijassa-897	73	11	of	of	ADP
ijassa-897	73	12	a	a	DET
ijassa-897	73	13	molecule	molecule	NOUN
ijassa-897	73	14	in	in	ADP
ijassa-897	73	15	space	space	NOUN
ijassa-897	73	16	was	be	AUX
ijassa-897	73	17	performed	perform	VERB
ijassa-897	73	18	with	with	ADP
ijassa-897	73	19	the	the	DET
ijassa-897	73	20	use	use	NOUN
ijassa-897	73	21	of	of	ADP
ijassa-897	73	22	random	random	ADJ
ijassa-897	73	23	initial	initial	ADJ
ijassa-897	73	24	coordinates	coordinate	NOUN
ijassa-897	73	25	for	for	ADP
ijassa-897	73	26	the	the	DET
ijassa-897	73	27	entire	entire	ADJ
ijassa-897	73	28	macromolecule	macromolecule	NOUN
ijassa-897	73	29	,	,	PUNCT
ijassa-897	73	30	and	and	CCONJ
ijassa-897	73	31	not	not	PART
ijassa-897	73	32	its	its	PRON
ijassa-897	73	33	individual	individual	ADJ
ijassa-897	73	34	monomer	monomer	NOUN
ijassa-897	73	35	units	unit	NOUN
ijassa-897	73	36	.	.	PUNCT
ijassa-897	74	1	examples	example	NOUN
ijassa-897	74	2	of	of	ADP
ijassa-897	74	3	the	the	DET
ijassa-897	74	4	obtained	obtain	VERB
ijassa-897	74	5	conformations	conformation	NOUN
ijassa-897	74	6	are	be	AUX
ijassa-897	74	7	presented	present	VERB
ijassa-897	74	8	in	in	ADP
ijassa-897	74	9	fig	fig	NOUN
ijassa-897	74	10	.	.	PUNCT
ijassa-897	75	1	2.1	2.1	NUM
ijassa-897	75	2	.	.	PUNCT
ijassa-897	76	1	94	94	NUM
ijassa-897	76	2	o.	o.	PROPN
ijassa-897	76	3	miloserdov	miloserdov	PROPN
ijassa-897	76	4	copyright	copyright	NOUN
ijassa-897	76	5	©	©	PROPN
ijassa-897	76	6	2020	2020	NUM
ijassa-897	76	7	assa	assa	NOUN
ijassa-897	76	8	.	.	PUNCT
ijassa-897	77	1	adv	adv	PROPN
ijassa-897	77	2	.	.	PUNCT
ijassa-897	78	1	in	in	ADP
ijassa-897	78	2	systems	system	NOUN
ijassa-897	78	3	science	science	NOUN
ijassa-897	78	4	and	and	CCONJ
ijassa-897	78	5	appl	appl	NOUN
ijassa-897	78	6	.	.	PUNCT
ijassa-897	79	1	(	(	PUNCT
ijassa-897	79	2	2020	2020	NUM
ijassa-897	79	3	)	)	PUNCT
ijassa-897	79	4	fig	fig	NOUN
ijassa-897	79	5	.	.	PUNCT
ijassa-897	80	1	2.1	2.1	NUM
ijassa-897	80	2	.	.	PUNCT
ijassa-897	81	1	examples	example	NOUN
ijassa-897	81	2	of	of	ADP
ijassa-897	81	3	three	three	NUM
ijassa-897	81	4	polymer	polymer	NOUN
ijassa-897	81	5	repeating	repeat	VERB
ijassa-897	81	6	units	unit	NOUN
ijassa-897	81	7	are	be	AUX
ijassa-897	81	8	shown	show	VERB
ijassa-897	81	9	above	above	ADP
ijassa-897	81	10	,	,	PUNCT
ijassa-897	81	11	and	and	CCONJ
ijassa-897	81	12	the	the	DET
ijassa-897	81	13	corresponding	corresponding	ADJ
ijassa-897	81	14	macromolecules	macromolecule	NOUN
ijassa-897	81	15	of	of	ADP
ijassa-897	81	16	about	about	ADV
ijassa-897	81	17	700	700	NUM
ijassa-897	81	18	-	-	SYM
ijassa-897	81	19	1200	1200	NUM
ijassa-897	81	20	atoms	atom	NOUN
ijassa-897	81	21	size	size	NOUN
ijassa-897	81	22	obtained	obtain	VERB
ijassa-897	81	23	with	with	ADP
ijassa-897	81	24	mmm	mmm	NOUN
ijassa-897	81	25	are	be	AUX
ijassa-897	81	26	shown	show	VERB
ijassa-897	81	27	below	below	ADP
ijassa-897	81	28	2.2	2.2	NUM
ijassa-897	81	29	.	.	PUNCT
ijassa-897	82	1	calculation	calculation	NOUN
ijassa-897	82	2	of	of	ADP
ijassa-897	82	3	geometric	geometric	ADJ
ijassa-897	82	4	indices	index	NOUN
ijassa-897	82	5	as	as	ADP
ijassa-897	82	6	in	in	ADP
ijassa-897	82	7	[	[	X
ijassa-897	82	8	10	10	NUM
ijassa-897	82	9	]	]	PUNCT
ijassa-897	82	10	,	,	PUNCT
ijassa-897	82	11	the	the	DET
ijassa-897	82	12	curves	curve	NOUN
ijassa-897	82	13	that	that	PRON
ijassa-897	82	14	represent	represent	VERB
ijassa-897	82	15	the	the	DET
ijassa-897	82	16	value	value	NOUN
ijassa-897	82	17	of	of	ADP
ijassa-897	82	18	various	various	ADJ
ijassa-897	82	19	accessible	accessible	ADJ
ijassa-897	82	20	-	-	PUNCT
ijassa-897	82	21	surface	surface	NOUN
ijassa-897	82	22	-	-	PUNCT
ijassa-897	82	23	area	area	NOUN
ijassa-897	82	24	-	-	PUNCT
ijassa-897	82	25	based	base	VERB
ijassa-897	82	26	geometric	geometric	ADJ
ijassa-897	82	27	indices	index	NOUN
ijassa-897	82	28	of	of	ADP
ijassa-897	82	29	polymers	polymer	NOUN
ijassa-897	82	30	’	'	PUNCT
ijassa-897	82	31	conformations	conformation	NOUN
ijassa-897	82	32	as	as	ADP
ijassa-897	82	33	functions	function	NOUN
ijassa-897	82	34	of	of	ADP
ijassa-897	82	35	the	the	DET
ijassa-897	82	36	radius	radius	NOUN
ijassa-897	82	37	of	of	ADP
ijassa-897	82	38	a	a	DET
ijassa-897	82	39	spherical	spherical	ADJ
ijassa-897	82	40	“	"	PUNCT
ijassa-897	82	41	probe	probe	NOUN
ijassa-897	82	42	”	"	PUNCT
ijassa-897	82	43	are	be	AUX
ijassa-897	82	44	used	use	VERB
ijassa-897	82	45	to	to	PART
ijassa-897	82	46	characterize	characterize	VERB
ijassa-897	82	47	polymers	polymer	NOUN
ijassa-897	82	48	,	,	PUNCT
ijassa-897	82	49	since	since	SCONJ
ijassa-897	82	50	the	the	DET
ijassa-897	82	51	main	main	ADJ
ijassa-897	82	52	hypothesis	hypothesis	NOUN
ijassa-897	82	53	of	of	ADP
ijassa-897	82	54	this	this	DET
ijassa-897	82	55	method	method	NOUN
ijassa-897	82	56	is	be	AUX
ijassa-897	82	57	that	that	SCONJ
ijassa-897	82	58	transport	transport	NOUN
ijassa-897	82	59	properties	property	NOUN
ijassa-897	82	60	of	of	ADP
ijassa-897	82	61	a	a	DET
ijassa-897	82	62	polymer	polymer	NOUN
ijassa-897	82	63	(	(	PUNCT
ijassa-897	82	64	e.g.	e.g.	ADV
ijassa-897	82	65	,	,	PUNCT
ijassa-897	82	66	solubility	solubility	NOUN
ijassa-897	82	67	coefficient	coefficient	NOUN
ijassa-897	82	68	and	and	CCONJ
ijassa-897	82	69	the	the	DET
ijassa-897	82	70	similar	similar	ADJ
ijassa-897	82	71	measures	measure	NOUN
ijassa-897	82	72	)	)	PUNCT
ijassa-897	82	73	to	to	ADP
ijassa-897	82	74	some	some	DET
ijassa-897	82	75	extent	extent	NOUN
ijassa-897	82	76	depend	depend	VERB
ijassa-897	82	77	on	on	ADP
ijassa-897	82	78	the	the	DET
ijassa-897	82	79	characteristics	characteristic	NOUN
ijassa-897	82	80	of	of	ADP
ijassa-897	82	81	the	the	DET
ijassa-897	82	82	contact	contact	NOUN
ijassa-897	82	83	surface	surface	NOUN
ijassa-897	82	84	between	between	ADP
ijassa-897	82	85	the	the	DET
ijassa-897	82	86	polymer	polymer	NOUN
ijassa-897	82	87	macromolecule	macromolecule	NOUN
ijassa-897	82	88	and	and	CCONJ
ijassa-897	82	89	the	the	DET
ijassa-897	82	90	penetrant	penetrant	NOUN
ijassa-897	82	91	gas	gas	NOUN
ijassa-897	82	92	molecule	molecule	NOUN
ijassa-897	82	93	.	.	PUNCT
ijassa-897	83	1	the	the	DET
ijassa-897	83	2	basic	basic	ADJ
ijassa-897	83	3	and	and	CCONJ
ijassa-897	83	4	the	the	DET
ijassa-897	83	5	simplest	simple	ADJ
ijassa-897	83	6	index	index	NOUN
ijassa-897	83	7	of	of	ADP
ijassa-897	83	8	this	this	DET
ijassa-897	83	9	family	family	NOUN
ijassa-897	83	10	is	be	AUX
ijassa-897	83	11	the	the	DET
ijassa-897	83	12	accessible	accessible	ADJ
ijassa-897	83	13	surface	surface	NOUN
ijassa-897	83	14	area	area	NOUN
ijassa-897	83	15	(	(	PUNCT
ijassa-897	83	16	asa	asa	PROPN
ijassa-897	83	17	)	)	PUNCT
ijassa-897	83	18	.	.	PUNCT
ijassa-897	84	1	its	its	PRON
ijassa-897	84	2	calculation	calculation	NOUN
ijassa-897	84	3	is	be	AUX
ijassa-897	84	4	illustrated	illustrate	VERB
ijassa-897	84	5	by	by	ADP
ijassa-897	84	6	fig	fig	NOUN
ijassa-897	84	7	.	.	PUNCT
ijassa-897	85	1	2.2	2.2	NUM
ijassa-897	85	2	.	.	PUNCT
ijassa-897	86	1	asa	asa	PROPN
ijassa-897	86	2	is	be	AUX
ijassa-897	86	3	the	the	DET
ijassa-897	86	4	surface	surface	NOUN
ijassa-897	86	5	area	area	NOUN
ijassa-897	86	6	circumscribed	circumscribe	VERB
ijassa-897	86	7	by	by	ADP
ijassa-897	86	8	the	the	DET
ijassa-897	86	9	center	center	NOUN
ijassa-897	86	10	of	of	ADP
ijassa-897	86	11	the	the	DET
ijassa-897	86	12	spherical	spherical	ADJ
ijassa-897	86	13	"	"	PUNCT
ijassa-897	86	14	probe	probe	NOUN
ijassa-897	86	15	"	"	PUNCT
ijassa-897	86	16	of	of	ADP
ijassa-897	86	17	a	a	DET
ijassa-897	86	18	given	give	VERB
ijassa-897	86	19	radius	radius	NOUN
ijassa-897	86	20	in	in	ADP
ijassa-897	86	21	all	all	DET
ijassa-897	86	22	possible	possible	ADJ
ijassa-897	86	23	positions	position	NOUN
ijassa-897	86	24	of	of	ADP
ijassa-897	86	25	its	its	PRON
ijassa-897	86	26	contact	contact	NOUN
ijassa-897	86	27	with	with	ADP
ijassa-897	86	28	the	the	DET
ijassa-897	86	29	van	van	PROPN
ijassa-897	86	30	der	der	NOUN
ijassa-897	86	31	waals	waal	NOUN
ijassa-897	86	32	surface	surface	VERB
ijassa-897	86	33	of	of	ADP
ijassa-897	86	34	this	this	DET
ijassa-897	86	35	molecule	molecule	NOUN
ijassa-897	86	36	.	.	PUNCT
ijassa-897	87	1	fig	fig	NOUN
ijassa-897	87	2	.	.	PUNCT
ijassa-897	88	1	2.2	2.2	NUM
ijassa-897	88	2	.	.	PUNCT
ijassa-897	89	1	examples	example	NOUN
ijassa-897	89	2	of	of	ADP
ijassa-897	89	3	calculating	calculate	VERB
ijassa-897	89	4	the	the	DET
ijassa-897	89	5	accessible	accessible	ADJ
ijassa-897	89	6	surface	surface	NOUN
ijassa-897	89	7	area	area	NOUN
ijassa-897	89	8	of	of	ADP
ijassa-897	89	9	a	a	DET
ijassa-897	89	10	molecule	molecule	NOUN
ijassa-897	89	11	the	the	DET
ijassa-897	89	12	whole	whole	ADJ
ijassa-897	89	13	family	family	NOUN
ijassa-897	89	14	of	of	ADP
ijassa-897	89	15	the	the	DET
ijassa-897	89	16	employed	employ	VERB
ijassa-897	89	17	indices	index	NOUN
ijassa-897	89	18	is	be	AUX
ijassa-897	89	19	presented	present	VERB
ijassa-897	89	20	in	in	ADP
ijassa-897	89	21	table	table	NOUN
ijassa-897	89	22	2.1	2.1	NUM
ijassa-897	89	23	.	.	PUNCT
ijassa-897	89	24	classifying	classify	VERB
ijassa-897	89	25	amorphous	amorphous	ADJ
ijassa-897	89	26	polymers	polymer	NOUN
ijassa-897	89	27	for	for	ADP
ijassa-897	89	28	membrane	membrane	NOUN
ijassa-897	89	29	technology	technology	NOUN
ijassa-897	89	30	…	…	PUNCT
ijassa-897	89	31	95	95	NUM
ijassa-897	89	32	copyright	copyright	NOUN
ijassa-897	89	33	©	©	PROPN
ijassa-897	89	34	2020	2020	NUM
ijassa-897	89	35	assa	assa	NOUN
ijassa-897	89	36	.	.	PUNCT
ijassa-897	90	1	adv	adv	PROPN
ijassa-897	90	2	.	.	PUNCT
ijassa-897	91	1	in	in	ADP
ijassa-897	91	2	systems	system	NOUN
ijassa-897	91	3	science	science	NOUN
ijassa-897	91	4	and	and	CCONJ
ijassa-897	91	5	appl	appl	NOUN
ijassa-897	91	6	.	.	PUNCT
ijassa-897	92	1	(	(	PUNCT
ijassa-897	92	2	2020	2020	NUM
ijassa-897	92	3	)	)	PUNCT
ijassa-897	92	4	table	table	NOUN
ijassa-897	92	5	2.1	2.1	NUM
ijassa-897	92	6	.	.	PUNCT
ijassa-897	93	1	geometric	geometric	ADJ
ijassa-897	93	2	indices	index	NOUN
ijassa-897	93	3	index	index	NOUN
ijassa-897	93	4	index	index	NOUN
ijassa-897	93	5	description	description	NOUN
ijassa-897	93	6	asa	asa	PROPN
ijassa-897	93	7	standardized	standardize	VERB
ijassa-897	93	8	(	(	PUNCT
ijassa-897	93	9	per	per	ADP
ijassa-897	93	10	cm3	cm3	NOUN
ijassa-897	93	11	of	of	ADP
ijassa-897	93	12	the	the	DET
ijassa-897	93	13	sample	sample	NOUN
ijassa-897	93	14	)	)	PUNCT
ijassa-897	93	15	accessible	accessible	ADJ
ijassa-897	93	16	surface	surface	NOUN
ijassa-897	93	17	area	area	NOUN
ijassa-897	93	18	(	(	PUNCT
ijassa-897	93	19	å2⋅mol	å2⋅mol	PROPN
ijassa-897	93	20	/	/	SYM
ijassa-897	93	21	cm3	cm3	PROPN
ijassa-897	93	22	)	)	PUNCT
ijassa-897	93	23	asa+	asa+	VERB
ijassa-897	93	24	accessible	accessible	ADJ
ijassa-897	93	25	surface	surface	NOUN
ijassa-897	93	26	area	area	NOUN
ijassa-897	93	27	where	where	SCONJ
ijassa-897	93	28	contact	contact	NOUN
ijassa-897	93	29	occurs	occur	VERB
ijassa-897	93	30	at	at	ADP
ijassa-897	93	31	a	a	DET
ijassa-897	93	32	point	point	NOUN
ijassa-897	93	33	on	on	ADP
ijassa-897	93	34	the	the	DET
ijassa-897	93	35	surface	surface	NOUN
ijassa-897	93	36	with	with	ADP
ijassa-897	93	37	a	a	DET
ijassa-897	93	38	partial	partial	ADJ
ijassa-897	93	39	positive	positive	ADJ
ijassa-897	93	40	(	(	PUNCT
ijassa-897	93	41	q	q	NOUN
ijassa-897	93	42	>	>	X
ijassa-897	93	43	0	0	NUM
ijassa-897	93	44	)	)	PUNCT
ijassa-897	93	45	charge	charge	NOUN
ijassa-897	93	46	*	*	PUNCT
ijassa-897	93	47	(	(	PUNCT
ijassa-897	93	48	å2⋅mol	å2⋅mol	PROPN
ijassa-897	93	49	/	/	SYM
ijassa-897	93	50	cm3	cm3	PROPN
ijassa-897	93	51	)	)	PUNCT
ijassa-897	93	52	asa	asa	PROPN
ijassa-897	93	53	–	–	PUNCT
ijassa-897	93	54	accessible	accessible	ADJ
ijassa-897	93	55	surface	surface	NOUN
ijassa-897	93	56	area	area	NOUN
ijassa-897	93	57	where	where	SCONJ
ijassa-897	93	58	contact	contact	NOUN
ijassa-897	93	59	occurs	occur	VERB
ijassa-897	93	60	at	at	ADP
ijassa-897	93	61	a	a	DET
ijassa-897	93	62	point	point	NOUN
ijassa-897	93	63	on	on	ADP
ijassa-897	93	64	the	the	DET
ijassa-897	93	65	surface	surface	NOUN
ijassa-897	93	66	with	with	ADP
ijassa-897	93	67	a	a	DET
ijassa-897	93	68	partial	partial	ADJ
ijassa-897	93	69	negative	negative	NOUN
ijassa-897	93	70	(	(	PUNCT
ijassa-897	93	71	q	q	X
ijassa-897	93	72	<	<	X
ijassa-897	93	73	0	0	NUM
ijassa-897	93	74	)	)	PUNCT
ijassa-897	93	75	charge	charge	NOUN
ijassa-897	93	76	*	*	PUNCT
ijassa-897	93	77	(	(	PUNCT
ijassa-897	93	78	å2⋅mol	å2⋅mol	PROPN
ijassa-897	93	79	/	/	SYM
ijassa-897	93	80	cm3	cm3	PROPN
ijassa-897	93	81	)	)	PUNCT
ijassa-897	93	82	asah	asah	ADP
ijassa-897	93	83	accessible	accessible	ADJ
ijassa-897	93	84	area	area	NOUN
ijassa-897	93	85	of	of	ADP
ijassa-897	93	86	hydrophobic	hydrophobic	NOUN
ijassa-897	93	87	(	(	PUNCT
ijassa-897	93	88	with	with	ADP
ijassa-897	93	89	low	low	ADJ
ijassa-897	93	90	,	,	PUNCT
ijassa-897	93	91	|q|	|q|	VERB
ijassa-897	93	92	<	<	X
ijassa-897	93	93	0.125	0.125	NUM
ijassa-897	93	94	,	,	PUNCT
ijassa-897	93	95	level	level	NOUN
ijassa-897	93	96	of	of	ADP
ijassa-897	93	97	partial	partial	ADJ
ijassa-897	93	98	charge	charge	NOUN
ijassa-897	93	99	*	*	NOUN
ijassa-897	93	100	)	)	PUNCT
ijassa-897	93	101	surface	surface	NOUN
ijassa-897	93	102	(	(	PUNCT
ijassa-897	93	103	å2⋅mol	å2⋅mol	PROPN
ijassa-897	93	104	/	/	SYM
ijassa-897	93	105	cm3	cm3	PROPN
ijassa-897	93	106	)	)	PUNCT
ijassa-897	93	107	asap	asap	NOUN
ijassa-897	93	108	accessible	accessible	ADJ
ijassa-897	93	109	area	area	NOUN
ijassa-897	93	110	of	of	ADP
ijassa-897	93	111	polarized	polarize	VERB
ijassa-897	93	112	(	(	PUNCT
ijassa-897	93	113	with	with	ADP
ijassa-897	93	114	high	high	ADJ
ijassa-897	93	115	,	,	PUNCT
ijassa-897	93	116	|q|	|q|	VERB
ijassa-897	93	117	≥	≥	NUM
ijassa-897	93	118	0.125	0.125	NUM
ijassa-897	93	119	,	,	PUNCT
ijassa-897	93	120	level	level	NOUN
ijassa-897	93	121	of	of	ADP
ijassa-897	93	122	partial	partial	ADJ
ijassa-897	93	123	charge	charge	NOUN
ijassa-897	93	124	*	*	NOUN
ijassa-897	93	125	)	)	PUNCT
ijassa-897	93	126	surface	surface	NOUN
ijassa-897	93	127	(	(	PUNCT
ijassa-897	93	128	å2⋅mol	å2⋅mol	PROPN
ijassa-897	93	129	/	/	SYM
ijassa-897	93	130	cm3	cm3	PROPN
ijassa-897	93	131	)	)	PUNCT
ijassa-897	93	132	dpsa3	dpsa3	PROPN
ijassa-897	93	133	dpsa3	dpsa3	PROPN
ijassa-897	94	1	=	=	PUNCT
ijassa-897	94	2	∑i	∑i	PROPN
ijassa-897	94	3	asai⋅qi	asai⋅qi	NOUN
ijassa-897	94	4	,	,	PUNCT
ijassa-897	94	5	where	where	SCONJ
ijassa-897	94	6	asai	asai	PROPN
ijassa-897	94	7	–	–	PUNCT
ijassa-897	94	8	is	be	AUX
ijassa-897	94	9	the	the	DET
ijassa-897	94	10	contribution	contribution	NOUN
ijassa-897	94	11	of	of	ADP
ijassa-897	94	12	the	the	DET
ijassa-897	94	13	i	i	PROPN
ijassa-897	94	14	-	-	PUNCT
ijassa-897	94	15	th	th	X
ijassa-897	94	16	atom	atom	NOUN
ijassa-897	94	17	to	to	ADP
ijassa-897	94	18	the	the	DET
ijassa-897	94	19	specific	specific	ADJ
ijassa-897	94	20	accessible	accessible	ADJ
ijassa-897	94	21	surface	surface	NOUN
ijassa-897	94	22	area	area	NOUN
ijassa-897	94	23	of	of	ADP
ijassa-897	94	24	the	the	DET
ijassa-897	94	25	molecule	molecule	NOUN
ijassa-897	94	26	and	and	CCONJ
ijassa-897	94	27	qi	qi	NOUN
ijassa-897	94	28	is	be	AUX
ijassa-897	94	29	the	the	DET
ijassa-897	94	30	partial	partial	ADJ
ijassa-897	94	31	charge	charge	NOUN
ijassa-897	94	32	*	*	PUNCT
ijassa-897	94	33	of	of	ADP
ijassa-897	94	34	i	i	PROPN
ijassa-897	94	35	-	-	PUNCT
ijassa-897	94	36	th	th	X
ijassa-897	94	37	atom	atom	NOUN
ijassa-897	94	38	(	(	PUNCT
ijassa-897	94	39	å2	å2	PROPN
ijassa-897	94	40	e	e	NOUN
ijassa-897	94	41	моль	моль	NOUN
ijassa-897	94	42	/	/	SYM
ijassa-897	94	43	см3	см3	NOUN
ijassa-897	94	44	)	)	PUNCT
ijassa-897	94	45	*	*	PUNCT
ijassa-897	94	46	ppsa3	ppsa3	PROPN
ijassa-897	94	47	ppsa3	ppsa3	NOUN
ijassa-897	95	1	=	=	SYM
ijassa-897	95	2	∑i	∑i	PROPN
ijassa-897	95	3	asai⋅qi	asai⋅qi	NOUN
ijassa-897	95	4	,	,	PUNCT
ijassa-897	95	5	where	where	SCONJ
ijassa-897	95	6	the	the	DET
ijassa-897	95	7	summation	summation	NOUN
ijassa-897	95	8	is	be	AUX
ijassa-897	95	9	limited	limit	VERB
ijassa-897	95	10	to	to	ADP
ijassa-897	95	11	atoms	atom	NOUN
ijassa-897	95	12	with	with	ADP
ijassa-897	95	13	a	a	DET
ijassa-897	95	14	positive	positive	ADJ
ijassa-897	95	15	partial	partial	ADJ
ijassa-897	95	16	charge	charge	NOUN
ijassa-897	95	17	*	*	PUNCT
ijassa-897	95	18	:	:	PUNCT
ijassa-897	96	1	asai⋅	asai⋅	PROPN
ijassa-897	96	2	qi	qi	PROPN
ijassa-897	96	3	>	>	X
ijassa-897	96	4	0	0	PUNCT
ijassa-897	97	1	(	(	PUNCT
ijassa-897	97	2	å2e	å2e	PROPN
ijassa-897	97	3	mol	mol	ADP
ijassa-897	97	4	/	/	SYM
ijassa-897	97	5	cm3	cm3	PROPN
ijassa-897	97	6	)	)	PUNCT
ijassa-897	98	1	pnsa3	pnsa3	NOUN
ijassa-897	98	2	pnsa3	pnsa3	NOUN
ijassa-897	99	1	=	=	PUNCT
ijassa-897	99	2	∑i	∑i	PROPN
ijassa-897	99	3	asai⋅qi	asai⋅qi	NOUN
ijassa-897	100	1	where	where	SCONJ
ijassa-897	100	2	the	the	DET
ijassa-897	100	3	summation	summation	NOUN
ijassa-897	100	4	is	be	AUX
ijassa-897	100	5	limited	limit	VERB
ijassa-897	100	6	to	to	ADP
ijassa-897	100	7	atoms	atom	NOUN
ijassa-897	100	8	with	with	ADP
ijassa-897	100	9	a	a	DET
ijassa-897	100	10	negative	negative	ADJ
ijassa-897	100	11	partial	partial	ADJ
ijassa-897	100	12	charge	charge	NOUN
ijassa-897	100	13	:	:	PUNCT
ijassa-897	100	14	asai⋅qi	asai⋅qi	ADP
ijassa-897	101	1	<	<	X
ijassa-897	101	2	0	0	NUM
ijassa-897	101	3	(	(	PUNCT
ijassa-897	101	4	å2e	å2e	PROPN
ijassa-897	101	5	mol	mol	ADP
ijassa-897	101	6	/	/	SYM
ijassa-897	101	7	cm3	cm3	NOUN
ijassa-897	101	8	)	)	PUNCT
ijassa-897	101	9	*	*	PUNCT
ijassa-897	101	10	partial	partial	ADJ
ijassa-897	101	11	charges	charge	NOUN
ijassa-897	101	12	according	accord	VERB
ijassa-897	101	13	to	to	ADP
ijassa-897	101	14	gasteiger	gasteiger	NOUN
ijassa-897	101	15	–	–	PUNCT
ijassa-897	101	16	marsili	marsili	NOUN
ijassa-897	101	17	were	be	AUX
ijassa-897	101	18	calculated	calculate	VERB
ijassa-897	101	19	using	use	VERB
ijassa-897	101	20	the	the	DET
ijassa-897	101	21	rdkit.chem.rdpartialcharges	rdkit.chem.rdpartialcharge	NOUN
ijassa-897	101	22	module	module	NOUN
ijassa-897	101	23	.	.	PUNCT
ijassa-897	102	1	*	*	PUNCT
ijassa-897	102	2	*	*	PUNCT
ijassa-897	102	3	here	here	ADV
ijassa-897	102	4	“	"	PUNCT
ijassa-897	102	5	e	e	NOUN
ijassa-897	102	6	”	"	PUNCT
ijassa-897	102	7	means	mean	VERB
ijassa-897	102	8	the	the	DET
ijassa-897	102	9	electron	electron	NOUN
ijassa-897	102	10	charge	charge	NOUN
ijassa-897	102	11	unit	unit	NOUN
ijassa-897	102	12	.	.	PUNCT
ijassa-897	103	1	compared	compare	VERB
ijassa-897	103	2	to	to	ADP
ijassa-897	103	3	the	the	DET
ijassa-897	103	4	previous	previous	ADJ
ijassa-897	103	5	versions	version	NOUN
ijassa-897	103	6	of	of	ADP
ijassa-897	103	7	this	this	DET
ijassa-897	103	8	method	method	NOUN
ijassa-897	103	9	,	,	PUNCT
ijassa-897	103	10	the	the	DET
ijassa-897	103	11	new	new	ADJ
ijassa-897	103	12	tools	tool	NOUN
ijassa-897	103	13	of	of	ADP
ijassa-897	103	14	mmm	mmm	NOUN
ijassa-897	103	15	presented	present	VERB
ijassa-897	103	16	in	in	ADP
ijassa-897	103	17	this	this	DET
ijassa-897	103	18	article	article	NOUN
ijassa-897	103	19	allowed	allow	VERB
ijassa-897	103	20	to	to	PART
ijassa-897	103	21	build	build	VERB
ijassa-897	103	22	bigger	big	ADJ
ijassa-897	103	23	molecules	molecule	NOUN
ijassa-897	103	24	and	and	CCONJ
ijassa-897	103	25	more	more	ADJ
ijassa-897	103	26	complex	complex	ADJ
ijassa-897	103	27	conformations	conformation	NOUN
ijassa-897	103	28	,	,	PUNCT
ijassa-897	103	29	which	which	PRON
ijassa-897	103	30	address	address	VERB
ijassa-897	103	31	not	not	PART
ijassa-897	103	32	only	only	ADV
ijassa-897	103	33	the	the	DET
ijassa-897	103	34	interaction	interaction	NOUN
ijassa-897	103	35	of	of	ADP
ijassa-897	103	36	adjacent	adjacent	ADJ
ijassa-897	103	37	atoms	atom	NOUN
ijassa-897	103	38	in	in	ADP
ijassa-897	103	39	a	a	DET
ijassa-897	103	40	polymer	polymer	NOUN
ijassa-897	103	41	chain	chain	NOUN
ijassa-897	103	42	but	but	CCONJ
ijassa-897	103	43	also	also	ADV
ijassa-897	103	44	that	that	PRON
ijassa-897	103	45	of	of	ADP
ijassa-897	103	46	atoms	atom	NOUN
ijassa-897	103	47	came	come	VERB
ijassa-897	103	48	close	close	ADV
ijassa-897	103	49	to	to	ADP
ijassa-897	103	50	each	each	DET
ijassa-897	103	51	other	other	ADJ
ijassa-897	103	52	due	due	ADP
ijassa-897	103	53	to	to	ADP
ijassa-897	103	54	the	the	DET
ijassa-897	103	55	bending	bending	NOUN
ijassa-897	103	56	of	of	ADP
ijassa-897	103	57	a	a	DET
ijassa-897	103	58	macromolecule	macromolecule	NOUN
ijassa-897	103	59	chain	chain	NOUN
ijassa-897	103	60	(	(	PUNCT
ijassa-897	103	61	see	see	VERB
ijassa-897	103	62	fig	fig	NOUN
ijassa-897	103	63	.	.	PUNCT
ijassa-897	104	1	2.1	2.1	NUM
ijassa-897	104	2	)	)	PUNCT
ijassa-897	104	3	.	.	PUNCT
ijassa-897	105	1	also	also	ADV
ijassa-897	105	2	,	,	PUNCT
ijassa-897	105	3	a	a	DET
ijassa-897	105	4	new	new	ADJ
ijassa-897	105	5	improved	improve	VERB
ijassa-897	105	6	index	index	NOUN
ijassa-897	105	7	calculation	calculation	NOUN
ijassa-897	105	8	algorithm	algorithm	NOUN
ijassa-897	105	9	was	be	AUX
ijassa-897	105	10	implemented	implement	VERB
ijassa-897	105	11	,	,	PUNCT
ijassa-897	105	12	which	which	PRON
ijassa-897	105	13	excludes	exclude	VERB
ijassa-897	105	14	from	from	ADP
ijassa-897	105	15	consideration	consideration	NOUN
ijassa-897	105	16	the	the	DET
ijassa-897	105	17	outer	outer	ADJ
ijassa-897	105	18	surface	surface	NOUN
ijassa-897	105	19	of	of	ADP
ijassa-897	105	20	the	the	DET
ijassa-897	105	21	oligomer	oligomer	NOUN
ijassa-897	105	22	,	,	PUNCT
ijassa-897	105	23	and	and	CCONJ
ijassa-897	105	24	thus	thus	ADV
ijassa-897	105	25	takes	take	VERB
ijassa-897	105	26	into	into	ADP
ijassa-897	105	27	account	account	NOUN
ijassa-897	105	28	interactions	interaction	NOUN
ijassa-897	105	29	of	of	ADP
ijassa-897	105	30	a	a	DET
ijassa-897	105	31	penetrant	penetrant	NOUN
ijassa-897	105	32	with	with	ADP
ijassa-897	105	33	the	the	DET
ijassa-897	105	34	polymer	polymer	NOUN
ijassa-897	105	35	macromolecule	macromolecule	NOUN
ijassa-897	105	36	.	.	PUNCT
ijassa-897	106	1	the	the	DET
ijassa-897	106	2	macromolecules	macromolecule	NOUN
ijassa-897	106	3	in	in	ADP
ijassa-897	106	4	fig	fig	NOUN
ijassa-897	106	5	.	.	PUNCT
ijassa-897	107	1	2.1	2.1	NUM
ijassa-897	107	2	are	be	AUX
ijassa-897	107	3	rather	rather	ADV
ijassa-897	107	4	short	short	ADJ
ijassa-897	107	5	polymer	polymer	NOUN
ijassa-897	107	6	chains	chain	NOUN
ijassa-897	107	7	,	,	PUNCT
ijassa-897	107	8	and	and	CCONJ
ijassa-897	107	9	their	their	PRON
ijassa-897	107	10	outer	outer	ADJ
ijassa-897	107	11	shell	shell	NOUN
ijassa-897	107	12	has	have	VERB
ijassa-897	107	13	considerable	considerable	ADJ
ijassa-897	107	14	surface	surface	NOUN
ijassa-897	107	15	area	area	NOUN
ijassa-897	107	16	.	.	PUNCT
ijassa-897	108	1	realistic	realistic	ADJ
ijassa-897	108	2	polymer	polymer	NOUN
ijassa-897	108	3	matrices	matrix	NOUN
ijassa-897	108	4	are	be	AUX
ijassa-897	108	5	much	much	ADV
ijassa-897	108	6	bigger	big	ADJ
ijassa-897	108	7	and	and	CCONJ
ijassa-897	108	8	have	have	VERB
ijassa-897	108	9	no	no	DET
ijassa-897	108	10	such	such	ADJ
ijassa-897	108	11	outer	outer	ADJ
ijassa-897	108	12	shell	shell	NOUN
ijassa-897	108	13	.	.	PUNCT
ijassa-897	109	1	the	the	DET
ijassa-897	109	2	contribution	contribution	NOUN
ijassa-897	109	3	of	of	ADP
ijassa-897	109	4	atoms	atom	NOUN
ijassa-897	109	5	that	that	PRON
ijassa-897	109	6	form	form	VERB
ijassa-897	109	7	these	these	DET
ijassa-897	109	8	outer	outer	ADJ
ijassa-897	109	9	shells	shell	NOUN
ijassa-897	109	10	distorts	distort	VERB
ijassa-897	109	11	the	the	DET
ijassa-897	109	12	value	value	NOUN
ijassa-897	109	13	of	of	ADP
ijassa-897	109	14	surface	surface	NOUN
ijassa-897	109	15	-	-	PUNCT
ijassa-897	109	16	area	area	NOUN
ijassa-897	109	17	-	-	PUNCT
ijassa-897	109	18	based	base	VERB
ijassa-897	109	19	indices	index	NOUN
ijassa-897	109	20	from	from	ADP
ijassa-897	109	21	table	table	NOUN
ijassa-897	109	22	2.1	2.1	NUM
ijassa-897	109	23	,	,	PUNCT
ijassa-897	109	24	and	and	CCONJ
ijassa-897	109	25	their	their	PRON
ijassa-897	109	26	contributions	contribution	NOUN
ijassa-897	109	27	must	must	AUX
ijassa-897	109	28	be	be	AUX
ijassa-897	109	29	excluded	exclude	VERB
ijassa-897	109	30	from	from	ADP
ijassa-897	109	31	index	index	NOUN
ijassa-897	109	32	calculation	calculation	NOUN
ijassa-897	109	33	.	.	PUNCT
ijassa-897	110	1	therefore	therefore	ADV
ijassa-897	110	2	,	,	PUNCT
ijassa-897	110	3	based	base	VERB
ijassa-897	110	4	on	on	ADP
ijassa-897	110	5	the	the	DET
ijassa-897	110	6	center	center	NOUN
ijassa-897	110	7	-	-	PUNCT
ijassa-897	110	8	of	of	ADP
ijassa-897	110	9	-	-	PUNCT
ijassa-897	110	10	mass	mass	NOUN
ijassa-897	110	11	position	position	NOUN
ijassa-897	110	12	of	of	ADP
ijassa-897	110	13	the	the	DET
ijassa-897	110	14	molecule	molecule	NOUN
ijassa-897	110	15	and	and	CCONJ
ijassa-897	110	16	the	the	DET
ijassa-897	110	17	value	value	NOUN
ijassa-897	110	18	of	of	ADP
ijassa-897	110	19	the	the	DET
ijassa-897	110	20	current	current	ADJ
ijassa-897	110	21	“	"	PUNCT
ijassa-897	110	22	probe	probe	NOUN
ijassa-897	110	23	”	"	PUNCT
ijassa-897	110	24	radius	radius	NOUN
ijassa-897	110	25	r	r	NOUN
ijassa-897	110	26	,	,	PUNCT
ijassa-897	110	27	the	the	DET
ijassa-897	110	28	indices	index	NOUN
ijassa-897	110	29	from	from	ADP
ijassa-897	110	30	table	table	NOUN
ijassa-897	110	31	2.1	2.1	NUM
ijassa-897	110	32	were	be	AUX
ijassa-897	110	33	calculated	calculate	VERB
ijassa-897	110	34	only	only	ADV
ijassa-897	110	35	for	for	ADP
ijassa-897	110	36	atoms	atom	NOUN
ijassa-897	110	37	of	of	ADP
ijassa-897	110	38	the	the	DET
ijassa-897	110	39	macromolecule	macromolecule	NOUN
ijassa-897	110	40	located	locate	VERB
ijassa-897	110	41	at	at	ADP
ijassa-897	110	42	no	no	PRON
ijassa-897	110	43	more	more	ADJ
ijassa-897	110	44	than	than	ADP
ijassa-897	110	45	d	d	NOUN
ijassa-897	110	46	=	=	SYM
ijassa-897	110	47	10	10	NUM
ijassa-897	110	48	–	–	PUNCT
ijassa-897	110	49	r	r	NOUN
ijassa-897	110	50	angstrom	angstrom	NOUN
ijassa-897	110	51	from	from	ADP
ijassa-897	110	52	its	its	PRON
ijassa-897	110	53	center	center	NOUN
ijassa-897	110	54	of	of	ADP
ijassa-897	110	55	mass	mass	PROPN
ijassa-897	110	56	.	.	PUNCT
ijassa-897	111	1	hence	hence	ADV
ijassa-897	111	2	,	,	PUNCT
ijassa-897	111	3	the	the	DET
ijassa-897	111	4	atoms	atom	NOUN
ijassa-897	111	5	that	that	PRON
ijassa-897	111	6	belong	belong	VERB
ijassa-897	111	7	to	to	ADP
ijassa-897	111	8	the	the	DET
ijassa-897	111	9	outer	outer	ADJ
ijassa-897	111	10	shell	shell	NOUN
ijassa-897	111	11	of	of	ADP
ijassa-897	111	12	the	the	DET
ijassa-897	111	13	conformation	conformation	NOUN
ijassa-897	111	14	were	be	AUX
ijassa-897	111	15	excluded	exclude	VERB
ijassa-897	111	16	.	.	PUNCT
ijassa-897	112	1	to	to	PART
ijassa-897	112	2	draw	draw	VERB
ijassa-897	112	3	the	the	DET
ijassa-897	112	4	dependences	dependence	NOUN
ijassa-897	112	5	asa(r	asa(r	NOUN
ijassa-897	112	6	)	)	PUNCT
ijassa-897	112	7	,	,	PUNCT
ijassa-897	112	8	asa+	asa+	VERB
ijassa-897	112	9	(	(	PUNCT
ijassa-897	112	10	r	r	NOUN
ijassa-897	112	11	)	)	PUNCT
ijassa-897	112	12	,	,	PUNCT
ijassa-897	112	13	etc	etc	X
ijassa-897	112	14	.	.	X
ijassa-897	112	15	,	,	PUNCT
ijassa-897	112	16	the	the	DET
ijassa-897	112	17	index	index	NOUN
ijassa-897	112	18	value	value	NOUN
ijassa-897	112	19	was	be	AUX
ijassa-897	112	20	calculated	calculate	VERB
ijassa-897	112	21	for	for	ADP
ijassa-897	112	22	each	each	DET
ijassa-897	112	23	r	r	NOUN
ijassa-897	112	24	from	from	ADP
ijassa-897	112	25	0å	0å	NUM
ijassa-897	112	26	to	to	PART
ijassa-897	112	27	0.2å	0.2å	VERB
ijassa-897	112	28	with	with	ADP
ijassa-897	112	29	a	a	DET
ijassa-897	112	30	step	step	NOUN
ijassa-897	112	31	of	of	ADP
ijassa-897	112	32	0.05å	0.05å	PROPN
ijassa-897	112	33	,	,	PUNCT
ijassa-897	112	34	from	from	ADP
ijassa-897	112	35	0.2å	0.2å	NOUN
ijassa-897	112	36	to	to	ADP
ijassa-897	112	37	1å	1å	PROPN
ijassa-897	112	38	with	with	ADP
ijassa-897	112	39	a	a	DET
ijassa-897	112	40	step	step	NOUN
ijassa-897	112	41	of	of	ADP
ijassa-897	112	42	0.1å	0.1å	NOUN
ijassa-897	112	43	and	and	CCONJ
ijassa-897	112	44	from	from	ADP
ijassa-897	112	45	1å	1å	NUM
ijassa-897	112	46	to	to	ADP
ijassa-897	112	47	2å	2å	NUM
ijassa-897	112	48	with	with	ADP
ijassa-897	112	49	a	a	DET
ijassa-897	112	50	step	step	NOUN
ijassa-897	112	51	of	of	ADP
ijassa-897	112	52	0.2å	0.2å	NOUN
ijassa-897	112	53	.	.	PUNCT
ijassa-897	113	1	typical	typical	ADJ
ijassa-897	113	2	dependencies	dependency	NOUN
ijassa-897	113	3	of	of	ADP
ijassa-897	113	4	a	a	DET
ijassa-897	113	5	number	number	NOUN
ijassa-897	113	6	of	of	ADP
ijassa-897	113	7	geometric	geometric	ADJ
ijassa-897	113	8	indices	index	NOUN
ijassa-897	113	9	from	from	ADP
ijassa-897	113	10	table	table	NOUN
ijassa-897	113	11	2.1	2.1	NUM
ijassa-897	113	12	from	from	ADP
ijassa-897	113	13	the	the	DET
ijassa-897	113	14	“	"	PUNCT
ijassa-897	113	15	probe	probe	NOUN
ijassa-897	113	16	”	"	PUNCT
ijassa-897	113	17	radius	radius	NOUN
ijassa-897	113	18	for	for	ADP
ijassa-897	113	19	one	one	NUM
ijassa-897	113	20	of	of	ADP
ijassa-897	113	21	the	the	DET
ijassa-897	113	22	polymers	polymer	NOUN
ijassa-897	113	23	,	,	PUNCT
ijassa-897	113	24	calculated	calculate	VERB
ijassa-897	113	25	for	for	ADP
ijassa-897	113	26	different	different	ADJ
ijassa-897	113	27	d	d	NOUN
ijassa-897	113	28	,	,	PUNCT
ijassa-897	113	29	are	be	AUX
ijassa-897	113	30	presented	present	VERB
ijassa-897	113	31	in	in	ADP
ijassa-897	113	32	fig	fig	NOUN
ijassa-897	113	33	.	.	PUNCT
ijassa-897	114	1	2.3	2.3	NUM
ijassa-897	114	2	.	.	PUNCT
ijassa-897	115	1	one	one	PRON
ijassa-897	115	2	can	can	AUX
ijassa-897	115	3	see	see	VERB
ijassa-897	115	4	from	from	ADP
ijassa-897	115	5	fig	fig	NOUN
ijassa-897	115	6	.	.	PUNCT
ijassa-897	116	1	2.3	2.3	NUM
ijassa-897	116	2	that	that	PRON
ijassa-897	116	3	curves	curve	VERB
ijassa-897	116	4	for	for	ADP
ijassa-897	116	5	d	d	NOUN
ijassa-897	116	6	=	=	SYM
ijassa-897	116	7	7å	7å	NOUN
ijassa-897	116	8	–	–	PUNCT
ijassa-897	116	9	r	r	NOUN
ijassa-897	116	10	resemble	resemble	VERB
ijassa-897	116	11	those	those	PRON
ijassa-897	116	12	for	for	ADP
ijassa-897	116	13	d	d	NOUN
ijassa-897	116	14	=	=	SYM
ijassa-897	116	15	10å	10å	NOUN
ijassa-897	116	16	–	–	PUNCT
ijassa-897	116	17	r	r	NOUN
ijassa-897	116	18	,	,	PUNCT
ijassa-897	116	19	so	so	ADV
ijassa-897	116	20	the	the	DET
ijassa-897	116	21	adopted	adopted	ADJ
ijassa-897	116	22	approach	approach	NOUN
ijassa-897	116	23	is	be	AUX
ijassa-897	116	24	robust	robust	ADJ
ijassa-897	116	25	with	with	ADP
ijassa-897	116	26	respect	respect	NOUN
ijassa-897	116	27	to	to	ADP
ijassa-897	116	28	small	small	ADJ
ijassa-897	116	29	deviations	deviation	NOUN
ijassa-897	116	30	of	of	ADP
ijassa-897	116	31	the	the	DET
ijassa-897	116	32	selection	selection	NOUN
ijassa-897	116	33	rule	rule	NOUN
ijassa-897	116	34	for	for	ADP
ijassa-897	116	35	“	"	PUNCT
ijassa-897	116	36	internal	internal	ADJ
ijassa-897	116	37	”	"	PUNCT
ijassa-897	116	38	atoms	atom	NOUN
ijassa-897	116	39	.	.	PUNCT
ijassa-897	117	1	to	to	PART
ijassa-897	117	2	justify	justify	VERB
ijassa-897	117	3	the	the	DET
ijassa-897	117	4	sufficient	sufficient	ADJ
ijassa-897	117	5	chain	chain	NOUN
ijassa-897	117	6	length	length	NOUN
ijassa-897	117	7	and	and	CCONJ
ijassa-897	117	8	the	the	DET
ijassa-897	117	9	number	number	NOUN
ijassa-897	117	10	of	of	ADP
ijassa-897	117	11	generated	generate	VERB
ijassa-897	117	12	conformations	conformation	NOUN
ijassa-897	117	13	for	for	ADP
ijassa-897	117	14	the	the	DET
ijassa-897	117	15	stability	stability	NOUN
ijassa-897	117	16	of	of	ADP
ijassa-897	117	17	the	the	DET
ijassa-897	117	18	results	result	NOUN
ijassa-897	117	19	obtained	obtain	VERB
ijassa-897	117	20	below	below	ADV
ijassa-897	117	21	,	,	PUNCT
ijassa-897	117	22	6	6	NUM
ijassa-897	117	23	conformations	conformation	NOUN
ijassa-897	117	24	of	of	ADP
ijassa-897	117	25	different	different	ADJ
ijassa-897	117	26	lengths	length	NOUN
ijassa-897	117	27	(	(	PUNCT
ijassa-897	117	28	200	200	NUM
ijassa-897	117	29	,	,	PUNCT
ijassa-897	117	30	300	300	NUM
ijassa-897	117	31	,	,	PUNCT
ijassa-897	117	32	400	400	NUM
ijassa-897	117	33	,	,	PUNCT
ijassa-897	117	34	600	600	NUM
ijassa-897	117	35	,	,	PUNCT
ijassa-897	117	36	800	800	NUM
ijassa-897	117	37	,	,	PUNCT
ijassa-897	117	38	atoms	atom	NOUN
ijassa-897	117	39	without	without	ADP
ijassa-897	117	40	hydrogen	hydrogen	NOUN
ijassa-897	117	41	)	)	PUNCT
ijassa-897	117	42	were	be	AUX
ijassa-897	117	43	generated	generate	VERB
ijassa-897	117	44	for	for	ADP
ijassa-897	117	45	40	40	NUM
ijassa-897	117	46	different	different	ADJ
ijassa-897	117	47	polymers	polymer	NOUN
ijassa-897	117	48	.	.	PUNCT
ijassa-897	118	1	for	for	ADP
ijassa-897	118	2	them	they	PRON
ijassa-897	118	3	,	,	PUNCT
ijassa-897	118	4	indices	indice	VERB
ijassa-897	118	5	from	from	ADP
ijassa-897	118	6	the	the	DET
ijassa-897	118	7	entire	entire	ADJ
ijassa-897	118	8	set	set	NOUN
ijassa-897	118	9	were	be	AUX
ijassa-897	118	10	calculated	calculate	VERB
ijassa-897	118	11	for	for	ADP
ijassa-897	118	12	a	a	DET
ijassa-897	118	13	number	number	NOUN
ijassa-897	118	14	of	of	ADP
ijassa-897	118	15	r	r	NOUN
ijassa-897	118	16	values	value	NOUN
ijassa-897	118	17	from	from	ADP
ijassa-897	118	18	the	the	DET
ijassa-897	118	19	range	range	NOUN
ijassa-897	118	20	from	from	ADP
ijassa-897	118	21	1	1	NUM
ijassa-897	118	22	å	å	NOUN
ijassa-897	118	23	to	to	ADP
ijassa-897	118	24	3	3	NUM
ijassa-897	118	25	å	å	NOUN
ijassa-897	118	26	.	.	PUNCT
ijassa-897	119	1	in	in	ADP
ijassa-897	119	2	fig	fig	NOUN
ijassa-897	119	3	.	.	PUNCT
ijassa-897	120	1	2.4	2.4	NUM
ijassa-897	120	2	presents	present	NOUN
ijassa-897	120	3	,	,	PUNCT
ijassa-897	120	4	as	as	ADP
ijassa-897	120	5	an	an	DET
ijassa-897	120	6	example	example	NOUN
ijassa-897	120	7	,	,	PUNCT
ijassa-897	120	8	the	the	DET
ijassa-897	120	9	obtained	obtain	VERB
ijassa-897	120	10	dependences	dependence	NOUN
ijassa-897	120	11	of	of	ADP
ijassa-897	120	12	three	three	NUM
ijassa-897	120	13	indices	index	NOUN
ijassa-897	120	14	(	(	PUNCT
ijassa-897	120	15	at	at	ADP
ijassa-897	120	16	different	different	ADJ
ijassa-897	120	17	r	r	NOUN
ijassa-897	120	18	)	)	PUNCT
ijassa-897	120	19	on	on	ADP
ijassa-897	120	20	the	the	DET
ijassa-897	120	21	macromolecule	macromolecule	NOUN
ijassa-897	120	22	size	size	NOUN
ijassa-897	120	23	for	for	ADP
ijassa-897	120	24	16	16	NUM
ijassa-897	120	25	random	random	ADJ
ijassa-897	120	26	polymers	polymer	NOUN
ijassa-897	120	27	from	from	ADP
ijassa-897	120	28	40	40	NUM
ijassa-897	120	29	calculated	calculate	VERB
ijassa-897	120	30	.	.	PUNCT
ijassa-897	121	1	it	it	PRON
ijassa-897	121	2	can	can	AUX
ijassa-897	121	3	be	be	AUX
ijassa-897	121	4	seen	see	VERB
ijassa-897	121	5	from	from	ADP
ijassa-897	121	6	the	the	DET
ijassa-897	121	7	figure	figure	NOUN
ijassa-897	121	8	that	that	SCONJ
ijassa-897	121	9	the	the	DET
ijassa-897	121	10	indices	index	NOUN
ijassa-897	121	11	begin	begin	VERB
ijassa-897	121	12	to	to	PART
ijassa-897	121	13	stabilize	stabilize	VERB
ijassa-897	121	14	when	when	SCONJ
ijassa-897	121	15	the	the	DET
ijassa-897	121	16	length	length	NOUN
ijassa-897	121	17	of	of	ADP
ijassa-897	121	18	the	the	DET
ijassa-897	121	19	macromolecule	macromolecule	NOUN
ijassa-897	121	20	exceeds	exceed	VERB
ijassa-897	121	21	600	600	NUM
ijassa-897	121	22	atoms	atom	NOUN
ijassa-897	121	23	,	,	PUNCT
ijassa-897	121	24	which	which	PRON
ijassa-897	121	25	was	be	AUX
ijassa-897	121	26	taken	take	VERB
ijassa-897	121	27	as	as	ADP
ijassa-897	121	28	the	the	DET
ijassa-897	121	29	base	base	NOUN
ijassa-897	121	30	length	length	NOUN
ijassa-897	121	31	.	.	PUNCT
ijassa-897	122	1	96	96	NUM
ijassa-897	122	2	o.	o.	NOUN
ijassa-897	122	3	miloserdov	miloserdov	PROPN
ijassa-897	122	4	copyright	copyright	NOUN
ijassa-897	122	5	©	©	PROPN
ijassa-897	122	6	2020	2020	NUM
ijassa-897	122	7	assa	assa	NOUN
ijassa-897	122	8	.	.	PUNCT
ijassa-897	123	1	adv	adv	PROPN
ijassa-897	123	2	.	.	PUNCT
ijassa-897	124	1	in	in	ADP
ijassa-897	124	2	systems	system	NOUN
ijassa-897	124	3	science	science	NOUN
ijassa-897	124	4	and	and	CCONJ
ijassa-897	124	5	appl	appl	NOUN
ijassa-897	124	6	.	.	PUNCT
ijassa-897	125	1	(	(	PUNCT
ijassa-897	125	2	2020	2020	NUM
ijassa-897	125	3	)	)	PUNCT
ijassa-897	125	4	the	the	DET
ijassa-897	125	5	same	same	ADJ
ijassa-897	125	6	logic	logic	NOUN
ijassa-897	125	7	shows	show	VERB
ijassa-897	125	8	that	that	SCONJ
ijassa-897	125	9	averaging	average	VERB
ijassa-897	125	10	over	over	ADP
ijassa-897	125	11	10	10	NUM
ijassa-897	125	12	conformations	conformation	NOUN
ijassa-897	125	13	is	be	AUX
ijassa-897	125	14	enough	enough	ADJ
ijassa-897	125	15	to	to	PART
ijassa-897	125	16	obtain	obtain	VERB
ijassa-897	125	17	stable	stable	ADJ
ijassa-897	125	18	index	index	NOUN
ijassa-897	125	19	values	value	NOUN
ijassa-897	125	20	(	(	PUNCT
ijassa-897	125	21	see	see	VERB
ijassa-897	125	22	fig	fig	NOUN
ijassa-897	125	23	.	.	PUNCT
ijassa-897	126	1	2.5	2.5	NUM
ijassa-897	126	2	)	)	PUNCT
ijassa-897	126	3	.	.	PUNCT
ijassa-897	127	1	fig	fig	NOUN
ijassa-897	127	2	.	.	PUNCT
ijassa-897	128	1	2.3	2.3	NUM
ijassa-897	128	2	.	.	PUNCT
ijassa-897	129	1	typical	typical	ADJ
ijassa-897	129	2	dependencies	dependency	NOUN
ijassa-897	129	3	of	of	ADP
ijassa-897	129	4	a	a	DET
ijassa-897	129	5	number	number	NOUN
ijassa-897	129	6	of	of	ADP
ijassa-897	129	7	geometric	geometric	ADJ
ijassa-897	129	8	indices	index	NOUN
ijassa-897	129	9	from	from	ADP
ijassa-897	129	10	table	table	NOUN
ijassa-897	129	11	2.1	2.1	NUM
ijassa-897	129	12	from	from	ADP
ijassa-897	129	13	the	the	DET
ijassa-897	129	14	“	"	PUNCT
ijassa-897	129	15	probe	probe	NOUN
ijassa-897	129	16	”	"	PUNCT
ijassa-897	129	17	radius	radius	NOUN
ijassa-897	129	18	for	for	ADP
ijassa-897	129	19	one	one	NUM
ijassa-897	129	20	of	of	ADP
ijassa-897	129	21	the	the	DET
ijassa-897	129	22	polymers	polymer	NOUN
ijassa-897	129	23	,	,	PUNCT
ijassa-897	129	24	calculated	calculate	VERB
ijassa-897	129	25	for	for	ADP
ijassa-897	129	26	various	various	ADJ
ijassa-897	129	27	d	d	NOUN
ijassa-897	129	28	fig	fig	NOUN
ijassa-897	129	29	.	.	PUNCT
ijassa-897	130	1	2.4	2.4	NUM
ijassa-897	130	2	.	.	X
ijassa-897	130	3	asa	asa	PROPN
ijassa-897	130	4	,	,	PUNCT
ijassa-897	130	5	asa+	asa+	PROPN
ijassa-897	130	6	and	and	CCONJ
ijassa-897	130	7	dpsa3	dpsa3	PROPN
ijassa-897	130	8	indices	indice	VERB
ijassa-897	130	9	vs	vs	ADP
ijassa-897	130	10	the	the	DET
ijassa-897	130	11	macromolecule	macromolecule	NOUN
ijassa-897	130	12	size	size	NOUN
ijassa-897	130	13	for	for	ADP
ijassa-897	130	14	16	16	NUM
ijassa-897	130	15	random	random	ADJ
ijassa-897	130	16	polymers	polymer	NOUN
ijassa-897	130	17	classifying	classify	VERB
ijassa-897	130	18	amorphous	amorphous	ADJ
ijassa-897	130	19	polymers	polymer	NOUN
ijassa-897	130	20	for	for	ADP
ijassa-897	130	21	membrane	membrane	NOUN
ijassa-897	130	22	technology	technology	NOUN
ijassa-897	130	23	…	…	PUNCT
ijassa-897	130	24	97	97	NUM
ijassa-897	130	25	copyright	copyright	NOUN
ijassa-897	130	26	©	©	PROPN
ijassa-897	130	27	2020	2020	NUM
ijassa-897	130	28	assa	assa	NOUN
ijassa-897	130	29	.	.	PUNCT
ijassa-897	131	1	adv	adv	PROPN
ijassa-897	131	2	.	.	PUNCT
ijassa-897	132	1	in	in	ADP
ijassa-897	132	2	systems	system	NOUN
ijassa-897	132	3	science	science	NOUN
ijassa-897	132	4	and	and	CCONJ
ijassa-897	132	5	appl	appl	NOUN
ijassa-897	132	6	.	.	PUNCT
ijassa-897	133	1	(	(	PUNCT
ijassa-897	133	2	2020	2020	NUM
ijassa-897	133	3	)	)	PUNCT
ijassa-897	133	4	fig	fig	NOUN
ijassa-897	133	5	.	.	PUNCT
ijassa-897	134	1	2.5	2.5	NUM
ijassa-897	134	2	.	.	PUNCT
ijassa-897	135	1	asa	asa	PROPN
ijassa-897	135	2	,	,	PUNCT
ijassa-897	135	3	asa+	asa+	PROPN
ijassa-897	135	4	and	and	CCONJ
ijassa-897	135	5	dpsa3	dpsa3	PROPN
ijassa-897	135	6	indices	index	NOUN
ijassa-897	135	7	averaged	average	VERB
ijassa-897	135	8	over	over	ADP
ijassa-897	135	9	conformations	conformation	NOUN
ijassa-897	135	10	vs	vs	ADP
ijassa-897	135	11	the	the	DET
ijassa-897	135	12	number	number	NOUN
ijassa-897	135	13	of	of	ADP
ijassa-897	135	14	conformations	conformation	NOUN
ijassa-897	135	15	being	be	AUX
ijassa-897	135	16	averaged	average	VERB
ijassa-897	135	17	for	for	ADP
ijassa-897	135	18	16	16	NUM
ijassa-897	135	19	random	random	ADJ
ijassa-897	135	20	polymers	polymer	NOUN
ijassa-897	135	21	3	3	NUM
ijassa-897	135	22	.	.	PUNCT
ijassa-897	135	23	classification	classification	NOUN
ijassa-897	135	24	of	of	ADP
ijassa-897	135	25	conformational	conformational	ADJ
ijassa-897	135	26	structures	structure	NOUN
ijassa-897	135	27	in	in	ADP
ijassa-897	135	28	machine	machine	NOUN
ijassa-897	135	29	learning	learn	VERB
ijassa-897	135	30	problems	problem	NOUN
ijassa-897	135	31	correctly	correctly	ADV
ijassa-897	135	32	collected	collect	VERB
ijassa-897	135	33	and	and	CCONJ
ijassa-897	135	34	pre	pre	ADJ
ijassa-897	135	35	-	-	ADJ
ijassa-897	135	36	processed	processed	ADJ
ijassa-897	135	37	data	datum	NOUN
ijassa-897	135	38	play	play	VERB
ijassa-897	135	39	a	a	DET
ijassa-897	135	40	key	key	ADJ
ijassa-897	135	41	role	role	NOUN
ijassa-897	135	42	in	in	ADP
ijassa-897	135	43	obtaining	obtain	VERB
ijassa-897	135	44	a	a	DET
ijassa-897	135	45	qualitative	qualitative	ADJ
ijassa-897	135	46	result	result	NOUN
ijassa-897	135	47	.	.	PUNCT
ijassa-897	136	1	the	the	DET
ijassa-897	136	2	database	database	NOUN
ijassa-897	136	3	“	"	PUNCT
ijassa-897	136	4	gas	gas	NOUN
ijassa-897	136	5	separation	separation	NOUN
ijassa-897	136	6	parameters	parameter	NOUN
ijassa-897	136	7	of	of	ADP
ijassa-897	136	8	glassy	glassy	NOUN
ijassa-897	136	9	polymers	polymer	NOUN
ijassa-897	136	10	”	"	PUNCT
ijassa-897	136	11	(	(	PUNCT
ijassa-897	136	12	hereinafter	hereinafter	NOUN
ijassa-897	136	13	referred	refer	VERB
ijassa-897	136	14	to	to	ADP
ijassa-897	136	15	as	as	ADP
ijassa-897	136	16	the	the	DET
ijassa-897	136	17	database	database	NOUN
ijassa-897	136	18	)	)	PUNCT
ijassa-897	136	19	was	be	AUX
ijassa-897	136	20	created	create	VERB
ijassa-897	136	21	in	in	ADP
ijassa-897	136	22	1998	1998	NUM
ijassa-897	136	23	at	at	ADP
ijassa-897	136	24	the	the	DET
ijassa-897	136	25	laboratory	laboratory	NOUN
ijassa-897	136	26	of	of	ADP
ijassa-897	136	27	membrane	membrane	NOUN
ijassa-897	136	28	gas	gas	NOUN
ijassa-897	136	29	separation	separation	NOUN
ijassa-897	136	30	at	at	ADP
ijassa-897	136	31	the	the	DET
ijassa-897	136	32	topchiev	topchiev	PROPN
ijassa-897	136	33	institute	institute	PROPN
ijassa-897	136	34	of	of	ADP
ijassa-897	136	35	petrochemical	petrochemical	NOUN
ijassa-897	136	36	synthesis	synthesis	NOUN
ijassa-897	136	37	,	,	PUNCT
ijassa-897	136	38	russian	russian	ADJ
ijassa-897	136	39	academy	academy	PROPN
ijassa-897	136	40	of	of	ADP
ijassa-897	136	41	sciences	sciences	PROPN
ijassa-897	136	42	.	.	PUNCT
ijassa-897	137	1	the	the	DET
ijassa-897	137	2	database	database	NOUN
ijassa-897	137	3	is	be	AUX
ijassa-897	137	4	a	a	DET
ijassa-897	137	5	unique	unique	ADJ
ijassa-897	137	6	source	source	NOUN
ijassa-897	137	7	of	of	ADP
ijassa-897	137	8	information	information	NOUN
ijassa-897	137	9	and	and	CCONJ
ijassa-897	137	10	a	a	DET
ijassa-897	137	11	tool	tool	NOUN
ijassa-897	137	12	for	for	ADP
ijassa-897	137	13	predicting	predict	VERB
ijassa-897	137	14	gas	gas	NOUN
ijassa-897	137	15	separation	separation	NOUN
ijassa-897	137	16	properties	property	NOUN
ijassa-897	137	17	of	of	ADP
ijassa-897	137	18	polymers	polymer	NOUN
ijassa-897	137	19	.	.	PUNCT
ijassa-897	138	1	since	since	SCONJ
ijassa-897	138	2	its	its	PRON
ijassa-897	138	3	inception	inception	NOUN
ijassa-897	138	4	,	,	PUNCT
ijassa-897	138	5	the	the	DET
ijassa-897	138	6	database	database	NOUN
ijassa-897	138	7	is	be	AUX
ijassa-897	138	8	being	be	AUX
ijassa-897	138	9	continuously	continuously	ADV
ijassa-897	138	10	updated	update	VERB
ijassa-897	138	11	.	.	PUNCT
ijassa-897	139	1	the	the	DET
ijassa-897	139	2	main	main	ADJ
ijassa-897	139	3	transport	transport	NOUN
ijassa-897	139	4	characteristics	characteristic	NOUN
ijassa-897	139	5	of	of	ADP
ijassa-897	139	6	polymer	polymer	NOUN
ijassa-897	139	7	gas	gas	NOUN
ijassa-897	139	8	separation	separation	NOUN
ijassa-897	139	9	membranes	membrane	NOUN
ijassa-897	139	10	are	be	AUX
ijassa-897	139	11	coefficients	coefficient	NOUN
ijassa-897	139	12	of	of	ADP
ijassa-897	139	13	permeability	permeability	NOUN
ijassa-897	139	14	,	,	PUNCT
ijassa-897	139	15	diffusion	diffusion	NOUN
ijassa-897	139	16	,	,	PUNCT
ijassa-897	139	17	and	and	CCONJ
ijassa-897	139	18	solubility	solubility	NOUN
ijassa-897	139	19	.	.	PUNCT
ijassa-897	140	1	the	the	DET
ijassa-897	140	2	permeability	permeability	NOUN
ijassa-897	140	3	coefficient	coefficient	NOUN
ijassa-897	140	4	p	p	NOUN
ijassa-897	140	5	can	can	AUX
ijassa-897	140	6	be	be	AUX
ijassa-897	140	7	written	write	VERB
ijassa-897	140	8	as	as	ADP
ijassa-897	140	9	a	a	DET
ijassa-897	140	10	product	product	NOUN
ijassa-897	140	11	of	of	ADP
ijassa-897	140	12	the	the	DET
ijassa-897	140	13	solubility	solubility	NOUN
ijassa-897	140	14	coefficient	coefficient	NOUN
ijassa-897	140	15	s	s	X
ijassa-897	140	16	and	and	CCONJ
ijassa-897	140	17	the	the	DET
ijassa-897	140	18	diffusion	diffusion	NOUN
ijassa-897	140	19	coefficient	coefficient	PROPN
ijassa-897	140	20	d.	d.	PROPN
ijassa-897	140	21	the	the	DET
ijassa-897	140	22	first	first	ADJ
ijassa-897	140	23	(	(	PUNCT
ijassa-897	140	24	s	s	X
ijassa-897	140	25	)	)	PUNCT
ijassa-897	140	26	describes	describe	VERB
ijassa-897	140	27	the	the	DET
ijassa-897	140	28	driving	drive	VERB
ijassa-897	140	29	force	force	NOUN
ijassa-897	140	30	of	of	ADP
ijassa-897	140	31	the	the	DET
ijassa-897	140	32	process	process	NOUN
ijassa-897	140	33	of	of	ADP
ijassa-897	140	34	transporting	transport	VERB
ijassa-897	140	35	gas	gas	NOUN
ijassa-897	140	36	molecules	molecule	NOUN
ijassa-897	140	37	,	,	PUNCT
ijassa-897	140	38	while	while	SCONJ
ijassa-897	140	39	the	the	DET
ijassa-897	140	40	second	second	ADJ
ijassa-897	140	41	(	(	PUNCT
ijassa-897	140	42	d	d	NOUN
ijassa-897	140	43	)	)	PUNCT
ijassa-897	140	44	corresponds	correspond	NOUN
ijassa-897	140	45	to	to	ADP
ijassa-897	140	46	the	the	DET
ijassa-897	140	47	kinetic	kinetic	ADJ
ijassa-897	140	48	component	component	NOUN
ijassa-897	140	49	of	of	ADP
ijassa-897	140	50	the	the	DET
ijassa-897	140	51	process	process	NOUN
ijassa-897	140	52	.	.	PUNCT
ijassa-897	141	1	to	to	PART
ijassa-897	141	2	solve	solve	VERB
ijassa-897	141	3	the	the	DET
ijassa-897	141	4	clustering	clustering	ADJ
ijassa-897	141	5	problem	problem	NOUN
ijassa-897	141	6	,	,	PUNCT
ijassa-897	141	7	397	397	NUM
ijassa-897	141	8	unique	unique	ADJ
ijassa-897	141	9	polymers	polymer	NOUN
ijassa-897	141	10	were	be	AUX
ijassa-897	141	11	selected	select	VERB
ijassa-897	141	12	from	from	ADP
ijassa-897	141	13	the	the	DET
ijassa-897	141	14	database	database	NOUN
ijassa-897	141	15	,	,	PUNCT
ijassa-897	141	16	each	each	PRON
ijassa-897	141	17	having	have	VERB
ijassa-897	141	18	several	several	ADJ
ijassa-897	141	19	records	record	NOUN
ijassa-897	141	20	containing	contain	VERB
ijassa-897	141	21	experimental	experimental	ADJ
ijassa-897	141	22	data	datum	NOUN
ijassa-897	141	23	on	on	ADP
ijassa-897	141	24	the	the	DET
ijassa-897	141	25	interaction	interaction	NOUN
ijassa-897	141	26	of	of	ADP
ijassa-897	141	27	the	the	DET
ijassa-897	141	28	gaspolymer	gaspolymer	ADJ
ijassa-897	141	29	pair	pair	NOUN
ijassa-897	141	30	under	under	ADP
ijassa-897	141	31	different	different	ADJ
ijassa-897	141	32	conditions	condition	NOUN
ijassa-897	141	33	(	(	PUNCT
ijassa-897	141	34	2629	2629	NUM
ijassa-897	141	35	records	record	NOUN
ijassa-897	141	36	in	in	ADP
ijassa-897	141	37	total	total	NOUN
ijassa-897	141	38	)	)	PUNCT
ijassa-897	141	39	.	.	PUNCT
ijassa-897	142	1	while	while	SCONJ
ijassa-897	142	2	the	the	DET
ijassa-897	142	3	database	database	NOUN
ijassa-897	142	4	covers	cover	VERB
ijassa-897	142	5	98	98	NUM
ijassa-897	142	6	o.	o.	ADJ
ijassa-897	142	7	miloserdov	miloserdov	PROPN
ijassa-897	143	1	copyright	copyright	NOUN
ijassa-897	143	2	©	©	PROPN
ijassa-897	143	3	2020	2020	NUM
ijassa-897	143	4	assa	assa	NOUN
ijassa-897	143	5	.	.	PUNCT
ijassa-897	144	1	adv	adv	PROPN
ijassa-897	144	2	.	.	PUNCT
ijassa-897	145	1	in	in	ADP
ijassa-897	145	2	systems	system	NOUN
ijassa-897	145	3	science	science	NOUN
ijassa-897	145	4	and	and	CCONJ
ijassa-897	145	5	appl	appl	NOUN
ijassa-897	145	6	.	.	PUNCT
ijassa-897	146	1	(	(	PUNCT
ijassa-897	146	2	2020	2020	NUM
ijassa-897	146	3	)	)	PUNCT
ijassa-897	146	4	more	more	ADV
ijassa-897	146	5	unique	unique	ADJ
ijassa-897	146	6	polymer	polymer	NOUN
ijassa-897	146	7	structures	structure	NOUN
ijassa-897	146	8	,	,	PUNCT
ijassa-897	146	9	for	for	ADP
ijassa-897	146	10	the	the	DET
ijassa-897	146	11	clustering	clustering	ADJ
ijassa-897	146	12	problem	problem	NOUN
ijassa-897	146	13	it	it	PRON
ijassa-897	146	14	is	be	AUX
ijassa-897	146	15	necessary	necessary	ADJ
ijassa-897	146	16	to	to	PART
ijassa-897	146	17	maintain	maintain	VERB
ijassa-897	146	18	a	a	DET
ijassa-897	146	19	balance	balance	NOUN
ijassa-897	146	20	in	in	ADP
ijassa-897	146	21	the	the	DET
ijassa-897	146	22	data	datum	NOUN
ijassa-897	146	23	on	on	ADP
ijassa-897	146	24	their	their	PRON
ijassa-897	146	25	chemical	chemical	ADJ
ijassa-897	146	26	classes	class	NOUN
ijassa-897	146	27	.	.	PUNCT
ijassa-897	147	1	therefore	therefore	ADV
ijassa-897	147	2	,	,	PUNCT
ijassa-897	147	3	the	the	DET
ijassa-897	147	4	structures	structure	NOUN
ijassa-897	147	5	were	be	AUX
ijassa-897	147	6	selected	select	VERB
ijassa-897	147	7	according	accord	VERB
ijassa-897	147	8	to	to	ADP
ijassa-897	147	9	the	the	DET
ijassa-897	147	10	rule	rule	NOUN
ijassa-897	147	11	:	:	PUNCT
ijassa-897	147	12	•	•	ADP
ijassa-897	147	13	if	if	SCONJ
ijassa-897	147	14	more	more	ADJ
ijassa-897	147	15	than	than	ADP
ijassa-897	147	16	42	42	NUM
ijassa-897	147	17	structures	structure	NOUN
ijassa-897	147	18	of	of	ADP
ijassa-897	147	19	a	a	DET
ijassa-897	147	20	certain	certain	ADJ
ijassa-897	147	21	chemical	chemical	NOUN
ijassa-897	147	22	class	class	NOUN
ijassa-897	147	23	exist	exist	VERB
ijassa-897	147	24	in	in	ADP
ijassa-897	147	25	the	the	DET
ijassa-897	147	26	database	database	NOUN
ijassa-897	147	27	,	,	PUNCT
ijassa-897	147	28	then	then	ADV
ijassa-897	147	29	records	record	NOUN
ijassa-897	147	30	that	that	PRON
ijassa-897	147	31	have	have	VERB
ijassa-897	147	32	experimental	experimental	ADJ
ijassa-897	147	33	data	datum	NOUN
ijassa-897	147	34	for	for	ADP
ijassa-897	147	35	p	p	PROPN
ijassa-897	147	36	,	,	PUNCT
ijassa-897	147	37	d	d	X
ijassa-897	147	38	,	,	PUNCT
ijassa-897	147	39	s	s	VERB
ijassa-897	147	40	were	be	AUX
ijassa-897	147	41	selected	select	VERB
ijassa-897	147	42	,	,	PUNCT
ijassa-897	147	43	•	•	ADV
ijassa-897	147	44	otherwise	otherwise	ADV
ijassa-897	147	45	,	,	PUNCT
ijassa-897	147	46	all	all	DET
ijassa-897	147	47	structures	structure	NOUN
ijassa-897	147	48	of	of	ADP
ijassa-897	147	49	this	this	DET
ijassa-897	147	50	chemical	chemical	ADJ
ijassa-897	147	51	class	class	NOUN
ijassa-897	147	52	were	be	AUX
ijassa-897	147	53	selected	select	VERB
ijassa-897	147	54	.	.	PUNCT
ijassa-897	148	1	as	as	SCONJ
ijassa-897	148	2	justified	justify	VERB
ijassa-897	148	3	in	in	ADP
ijassa-897	148	4	section	section	NOUN
ijassa-897	148	5	2	2	NUM
ijassa-897	148	6	above	above	ADV
ijassa-897	148	7	,	,	PUNCT
ijassa-897	148	8	for	for	SCONJ
ijassa-897	148	9	each	each	DET
ijassa-897	148	10	polymer	polymer	NOUN
ijassa-897	148	11	in	in	ADP
ijassa-897	148	12	a	a	DET
ijassa-897	148	13	sample	sample	NOUN
ijassa-897	148	14	ten	ten	NUM
ijassa-897	148	15	conformations	conformation	NOUN
ijassa-897	148	16	were	be	AUX
ijassa-897	148	17	generated	generate	VERB
ijassa-897	148	18	of	of	ADP
ijassa-897	148	19	size	size	NOUN
ijassa-897	148	20	at	at	ADP
ijassa-897	148	21	least	least	ADJ
ijassa-897	148	22	600	600	NUM
ijassa-897	148	23	atoms	atom	NOUN
ijassa-897	148	24	(	(	PUNCT
ijassa-897	148	25	not	not	PART
ijassa-897	148	26	counting	count	VERB
ijassa-897	148	27	hydrogen	hydrogen	NOUN
ijassa-897	148	28	atoms	atom	NOUN
ijassa-897	148	29	)	)	PUNCT
ijassa-897	148	30	.	.	PUNCT
ijassa-897	149	1	see	see	VERB
ijassa-897	149	2	fig	fig	NOUN
ijassa-897	149	3	.	.	PUNCT
ijassa-897	150	1	2.1	2.1	NUM
ijassa-897	150	2	for	for	ADP
ijassa-897	150	3	the	the	DET
ijassa-897	150	4	examples	example	NOUN
ijassa-897	150	5	of	of	ADP
ijassa-897	150	6	conformations	conformation	NOUN
ijassa-897	150	7	built	build	VERB
ijassa-897	150	8	.	.	PUNCT
ijassa-897	151	1	then	then	ADV
ijassa-897	151	2	,	,	PUNCT
ijassa-897	151	3	for	for	ADP
ijassa-897	151	4	each	each	DET
ijassa-897	151	5	conformation	conformation	NOUN
ijassa-897	151	6	and	and	CCONJ
ijassa-897	151	7	for	for	ADP
ijassa-897	151	8	each	each	DET
ijassa-897	151	9	r	r	NOUN
ijassa-897	151	10	in	in	ADP
ijassa-897	151	11	the	the	DET
ijassa-897	151	12	range	range	NOUN
ijassa-897	151	13	from	from	ADP
ijassa-897	151	14	0å	0å	NUM
ijassa-897	151	15	to	to	ADP
ijassa-897	151	16	3å	3å	NOUN
ijassa-897	151	17	,	,	PUNCT
ijassa-897	151	18	the	the	DET
ijassa-897	151	19	indices	index	NOUN
ijassa-897	151	20	from	from	ADP
ijassa-897	151	21	table	table	NOUN
ijassa-897	151	22	2.1	2.1	NUM
ijassa-897	151	23	are	be	AUX
ijassa-897	151	24	calculated	calculate	VERB
ijassa-897	151	25	using	use	VERB
ijassa-897	151	26	the	the	DET
ijassa-897	151	27	selection	selection	NOUN
ijassa-897	151	28	rule	rule	NOUN
ijassa-897	151	29	d	d	NOUN
ijassa-897	151	30	=	=	SYM
ijassa-897	151	31	10å	10å	NOUN
ijassa-897	151	32	–	–	PUNCT
ijassa-897	151	33	r	r	NOUN
ijassa-897	151	34	,	,	PUNCT
ijassa-897	151	35	which	which	PRON
ijassa-897	151	36	rules	rule	VERB
ijassa-897	151	37	off	off	ADP
ijassa-897	151	38	the	the	DET
ijassa-897	151	39	atoms	atom	NOUN
ijassa-897	151	40	of	of	ADP
ijassa-897	151	41	the	the	DET
ijassa-897	151	42	outer	outer	ADJ
ijassa-897	151	43	hull	hull	NOUN
ijassa-897	151	44	of	of	ADP
ijassa-897	151	45	the	the	DET
ijassa-897	151	46	conformation	conformation	NOUN
ijassa-897	151	47	.	.	PUNCT
ijassa-897	152	1	typical	typical	ADJ
ijassa-897	152	2	dependences	dependence	NOUN
ijassa-897	152	3	of	of	ADP
ijassa-897	152	4	geometric	geometric	ADJ
ijassa-897	152	5	indices	index	NOUN
ijassa-897	152	6	asa	asa	PROPN
ijassa-897	152	7	,	,	PUNCT
ijassa-897	152	8	asa+	asa+	PROPN
ijassa-897	152	9	and	and	CCONJ
ijassa-897	152	10	dpsa3	dpsa3	PROPN
ijassa-897	152	11	on	on	ADP
ijassa-897	152	12	the	the	DET
ijassa-897	152	13	“	"	PUNCT
ijassa-897	152	14	probe	probe	NOUN
ijassa-897	152	15	”	"	PUNCT
ijassa-897	152	16	radius	radius	NOUN
ijassa-897	152	17	for	for	ADP
ijassa-897	152	18	one	one	NUM
ijassa-897	152	19	of	of	ADP
ijassa-897	152	20	the	the	DET
ijassa-897	152	21	polymers	polymer	NOUN
ijassa-897	152	22	are	be	AUX
ijassa-897	152	23	shown	show	VERB
ijassa-897	152	24	in	in	ADP
ijassa-897	152	25	fig	fig	NOUN
ijassa-897	152	26	.	.	PUNCT
ijassa-897	153	1	3	3	X
ijassa-897	153	2	.	.	X
ijassa-897	154	1	in	in	ADP
ijassa-897	154	2	contrast	contrast	NOUN
ijassa-897	154	3	to	to	ADP
ijassa-897	154	4	[	[	X
ijassa-897	154	5	10	10	NUM
ijassa-897	154	6	]	]	PUNCT
ijassa-897	154	7	,	,	PUNCT
ijassa-897	154	8	where	where	SCONJ
ijassa-897	154	9	the	the	DET
ijassa-897	154	10	optimal	optimal	ADJ
ijassa-897	154	11	range	range	NOUN
ijassa-897	154	12	of	of	ADP
ijassa-897	154	13	[	[	X
ijassa-897	154	14	r	r	X
ijassa-897	154	15	–	–	PUNCT
ijassa-897	154	16	,	,	PUNCT
ijassa-897	154	17	r+	r+	X
ijassa-897	154	18	]	]	PUNCT
ijassa-897	154	19	linearization	linearization	NOUN
ijassa-897	154	20	of	of	ADP
ijassa-897	154	21	the	the	DET
ijassa-897	154	22	obtained	obtain	VERB
ijassa-897	154	23	dependencies	dependency	NOUN
ijassa-897	154	24	was	be	AUX
ijassa-897	154	25	searched	search	VERB
ijassa-897	154	26	for	for	ADP
ijassa-897	154	27	,	,	PUNCT
ijassa-897	154	28	the	the	DET
ijassa-897	154	29	obtained	obtain	VERB
ijassa-897	154	30	slope	slope	NOUN
ijassa-897	154	31	and	and	CCONJ
ijassa-897	154	32	bias	bias	NOUN
ijassa-897	154	33	coefficients	coefficient	NOUN
ijassa-897	154	34	were	be	AUX
ijassa-897	154	35	used	use	VERB
ijassa-897	154	36	as	as	ADP
ijassa-897	154	37	an	an	DET
ijassa-897	154	38	explanatory	explanatory	ADJ
ijassa-897	154	39	regression	regression	NOUN
ijassa-897	154	40	variables	variable	NOUN
ijassa-897	154	41	,	,	PUNCT
ijassa-897	154	42	in	in	ADP
ijassa-897	154	43	this	this	DET
ijassa-897	154	44	article	article	NOUN
ijassa-897	154	45	the	the	DET
ijassa-897	154	46	entire	entire	ADJ
ijassa-897	154	47	curve	curve	NOUN
ijassa-897	154	48	is	be	AUX
ijassa-897	154	49	used	use	VERB
ijassa-897	154	50	for	for	ADP
ijassa-897	154	51	classification	classification	NOUN
ijassa-897	154	52	.	.	PUNCT
ijassa-897	155	1	for	for	ADP
ijassa-897	155	2	the	the	DET
ijassa-897	155	3	clustering	clustering	NOUN
ijassa-897	155	4	of	of	ADP
ijassa-897	155	5	polymers	polymer	NOUN
ijassa-897	155	6	,	,	PUNCT
ijassa-897	155	7	the	the	DET
ijassa-897	155	8	agglomerative	agglomerative	ADJ
ijassa-897	155	9	method	method	NOUN
ijassa-897	155	10	(	(	PUNCT
ijassa-897	155	11	a	a	DET
ijassa-897	155	12	sort	sort	NOUN
ijassa-897	155	13	of	of	ADP
ijassa-897	155	14	hierarchical	hierarchical	ADJ
ijassa-897	155	15	classification	classification	NOUN
ijassa-897	155	16	)	)	PUNCT
ijassa-897	155	17	was	be	AUX
ijassa-897	155	18	used	use	VERB
ijassa-897	155	19	[	[	PUNCT
ijassa-897	155	20	1	1	NUM
ijassa-897	155	21	]	]	PUNCT
ijassa-897	155	22	.	.	PUNCT
ijassa-897	156	1	the	the	DET
ijassa-897	156	2	agglomerative	agglomerative	ADJ
ijassa-897	156	3	clustering	clustering	NOUN
ijassa-897	156	4	method	method	NOUN
ijassa-897	156	5	was	be	AUX
ijassa-897	156	6	launched	launch	VERB
ijassa-897	156	7	for	for	ADP
ijassa-897	156	8	the	the	DET
ijassa-897	156	9	number	number	NOUN
ijassa-897	156	10	of	of	ADP
ijassa-897	156	11	clusters	cluster	NOUN
ijassa-897	156	12	from	from	ADP
ijassa-897	156	13	k	k	PROPN
ijassa-897	156	14	=	=	SYM
ijassa-897	156	15	2	2	NUM
ijassa-897	156	16	,	,	PUNCT
ijassa-897	156	17	...	...	PUNCT
ijassa-897	156	18	,	,	PUNCT
ijassa-897	156	19	30	30	NUM
ijassa-897	156	20	,	,	PUNCT
ijassa-897	156	21	since	since	SCONJ
ijassa-897	156	22	the	the	DET
ijassa-897	156	23	optimal	optimal	ADJ
ijassa-897	156	24	number	number	NOUN
ijassa-897	156	25	of	of	ADP
ijassa-897	156	26	clusters	cluster	NOUN
ijassa-897	156	27	was	be	AUX
ijassa-897	156	28	unknown	unknown	ADJ
ijassa-897	156	29	.	.	PUNCT
ijassa-897	157	1	according	accord	VERB
ijassa-897	157	2	to	to	ADP
ijassa-897	157	3	the	the	DET
ijassa-897	157	4	values	value	NOUN
ijassa-897	157	5	of	of	ADP
ijassa-897	157	6	the	the	DET
ijassa-897	157	7	silhouette	silhouette	NOUN
ijassa-897	157	8	coefficient	coefficient	NOUN
ijassa-897	157	9	,	,	PUNCT
ijassa-897	157	10	the	the	DET
ijassa-897	157	11	calinski	calinski	NOUN
ijassa-897	157	12	–	–	PUNCT
ijassa-897	157	13	harabasz	harabasz	NOUN
ijassa-897	157	14	index	index	NOUN
ijassa-897	157	15	(	(	PUNCT
ijassa-897	157	16	c	c	NOUN
ijassa-897	157	17	-	-	PUNCT
ijassa-897	157	18	h	h	NOUN
ijassa-897	157	19	)	)	PUNCT
ijassa-897	157	20	and	and	CCONJ
ijassa-897	157	21	the	the	DET
ijassa-897	157	22	davies	davy	NOUN
ijassa-897	157	23	–	–	PUNCT
ijassa-897	157	24	bouldin	bouldin	NOUN
ijassa-897	157	25	index	index	NOUN
ijassa-897	157	26	(	(	PUNCT
ijassa-897	157	27	dbi	dbi	PROPN
ijassa-897	157	28	)	)	PUNCT
ijassa-897	157	29	for	for	ADP
ijassa-897	157	30	the	the	DET
ijassa-897	157	31	clustering	clustering	NOUN
ijassa-897	157	32	constructed	construct	VERB
ijassa-897	157	33	,	,	PUNCT
ijassa-897	157	34	the	the	DET
ijassa-897	157	35	value	value	NOUN
ijassa-897	157	36	k	k	PROPN
ijassa-897	157	37	=	=	SYM
ijassa-897	157	38	15	15	NUM
ijassa-897	157	39	has	have	AUX
ijassa-897	157	40	been	be	AUX
ijassa-897	157	41	chosen	choose	VERB
ijassa-897	157	42	.	.	PUNCT
ijassa-897	158	1	the	the	DET
ijassa-897	158	2	data	datum	NOUN
ijassa-897	158	3	supplied	supply	VERB
ijassa-897	158	4	to	to	ADP
ijassa-897	158	5	the	the	DET
ijassa-897	158	6	input	input	NOUN
ijassa-897	158	7	of	of	ADP
ijassa-897	158	8	the	the	DET
ijassa-897	158	9	algorithm	algorithm	NOUN
ijassa-897	158	10	was	be	AUX
ijassa-897	158	11	previously	previously	ADV
ijassa-897	158	12	standardized	standardize	VERB
ijassa-897	158	13	.	.	PUNCT
ijassa-897	159	1	to	to	PART
ijassa-897	159	2	illustrate	illustrate	VERB
ijassa-897	159	3	the	the	DET
ijassa-897	159	4	quality	quality	NOUN
ijassa-897	159	5	of	of	ADP
ijassa-897	159	6	the	the	DET
ijassa-897	159	7	resulting	result	VERB
ijassa-897	159	8	clustering	clustering	NOUN
ijassa-897	159	9	using	use	VERB
ijassa-897	159	10	the	the	DET
ijassa-897	159	11	tsne	tsne	ADJ
ijassa-897	159	12	algorithm	algorithm	NOUN
ijassa-897	160	1	[	[	X
ijassa-897	160	2	20	20	NUM
ijassa-897	160	3	]	]	PUNCT
ijassa-897	160	4	,	,	PUNCT
ijassa-897	160	5	the	the	DET
ijassa-897	160	6	placement	placement	NOUN
ijassa-897	160	7	of	of	ADP
ijassa-897	160	8	points	point	NOUN
ijassa-897	160	9	in	in	ADP
ijassa-897	160	10	2d	2d	NUM
ijassa-897	160	11	space	space	NOUN
ijassa-897	160	12	was	be	AUX
ijassa-897	160	13	constructed	construct	VERB
ijassa-897	160	14	.	.	PUNCT
ijassa-897	161	1	it	it	PRON
ijassa-897	161	2	is	be	AUX
ijassa-897	161	3	clearly	clearly	ADV
ijassa-897	161	4	seen	see	VERB
ijassa-897	161	5	that	that	SCONJ
ijassa-897	161	6	the	the	DET
ijassa-897	161	7	tsne	tsne	ADJ
ijassa-897	161	8	algorithm	algorithm	NOUN
ijassa-897	161	9	,	,	PUNCT
ijassa-897	161	10	being	be	AUX
ijassa-897	161	11	different	different	ADJ
ijassa-897	161	12	from	from	ADP
ijassa-897	161	13	agglomerative	agglomerative	ADJ
ijassa-897	161	14	clustering	clustering	NOUN
ijassa-897	161	15	in	in	ADP
ijassa-897	161	16	its	its	PRON
ijassa-897	161	17	nature	nature	NOUN
ijassa-897	161	18	,	,	PUNCT
ijassa-897	161	19	distributes	distribute	VERB
ijassa-897	161	20	the	the	DET
ijassa-897	161	21	data	data	NOUN
ijassa-897	161	22	points	point	NOUN
ijassa-897	161	23	in	in	ADP
ijassa-897	161	24	accordance	accordance	NOUN
ijassa-897	161	25	with	with	ADP
ijassa-897	161	26	the	the	DET
ijassa-897	161	27	obtained	obtain	VERB
ijassa-897	161	28	clustering	clustering	NOUN
ijassa-897	161	29	.	.	PUNCT
ijassa-897	162	1	the	the	DET
ijassa-897	162	2	embedding	embed	VERB
ijassa-897	162	3	also	also	ADV
ijassa-897	162	4	allows	allow	VERB
ijassa-897	162	5	to	to	PART
ijassa-897	162	6	evaluate	evaluate	VERB
ijassa-897	162	7	the	the	DET
ijassa-897	162	8	distance	distance	NOUN
ijassa-897	162	9	between	between	ADP
ijassa-897	162	10	clusters	cluster	NOUN
ijassa-897	162	11	(	(	PUNCT
ijassa-897	162	12	see	see	VERB
ijassa-897	162	13	fig	fig	NOUN
ijassa-897	162	14	.	.	PUNCT
ijassa-897	163	1	3.1	3.1	NUM
ijassa-897	163	2	)	)	PUNCT
ijassa-897	163	3	.	.	PUNCT
ijassa-897	164	1	table	table	NOUN
ijassa-897	164	2	3.1	3.1	NUM
ijassa-897	164	3	.	.	PUNCT
ijassa-897	165	1	the	the	DET
ijassa-897	165	2	distribution	distribution	NOUN
ijassa-897	165	3	of	of	ADP
ijassa-897	165	4	polymers	polymer	NOUN
ijassa-897	165	5	of	of	ADP
ijassa-897	165	6	different	different	ADJ
ijassa-897	165	7	chemical	chemical	NOUN
ijassa-897	165	8	classes	class	NOUN
ijassa-897	165	9	over	over	ADP
ijassa-897	165	10	clusters	cluster	NOUN
ijassa-897	165	11	chemical	chemical	PROPN
ijassa-897	165	12	class	class	NOUN
ijassa-897	165	13	cluster	cluster	NOUN
ijassa-897	165	14	number	number	NOUN
ijassa-897	165	15	sum	sum	NOUN
ijassa-897	165	16	by	by	ADP
ijassa-897	165	17	class	class	NOUN
ijassa-897	165	18	1	1	NUM
ijassa-897	165	19	2	2	NUM
ijassa-897	165	20	3	3	NUM
ijassa-897	165	21	4	4	NUM
ijassa-897	165	22	5	5	NUM
ijassa-897	165	23	6	6	NUM
ijassa-897	165	24	7	7	NUM
ijassa-897	165	25	8	8	NUM
ijassa-897	165	26	9	9	NUM
ijassa-897	165	27	10	10	NUM
ijassa-897	165	28	11	11	NUM
ijassa-897	165	29	12	12	NUM
ijassa-897	165	30	13	13	NUM
ijassa-897	165	31	14	14	NUM
ijassa-897	165	32	15	15	NUM
ijassa-897	165	33	polyacrylates	polyacrylate	NOUN
ijassa-897	165	34	1	1	NUM
ijassa-897	165	35	3	3	NUM
ijassa-897	165	36	1	1	NUM
ijassa-897	165	37	9	9	NUM
ijassa-897	165	38	1	1	NUM
ijassa-897	165	39	15	15	NUM
ijassa-897	165	40	polyesters	polyester	NOUN
ijassa-897	165	41	2	2	NUM
ijassa-897	165	42	18	18	NUM
ijassa-897	165	43	1	1	NUM
ijassa-897	165	44	1	1	NUM
ijassa-897	165	45	4	4	NUM
ijassa-897	165	46	4	4	NUM
ijassa-897	165	47	4	4	NUM
ijassa-897	165	48	8	8	NUM
ijassa-897	165	49	42	42	NUM
ijassa-897	165	50	polyethers	polyether	NOUN
ijassa-897	165	51	1	1	NUM
ijassa-897	165	52	8	8	NUM
ijassa-897	165	53	12	12	NUM
ijassa-897	165	54	4	4	NUM
ijassa-897	165	55	2	2	NUM
ijassa-897	165	56	2	2	NUM
ijassa-897	165	57	5	5	NUM
ijassa-897	165	58	3	3	NUM
ijassa-897	165	59	37	37	NUM
ijassa-897	165	60	polyphosphasenes	polyphosphasene	NOUN
ijassa-897	165	61	3	3	NUM
ijassa-897	165	62	3	3	NUM
ijassa-897	165	63	polyacetylenes	polyacetylene	NOUN
ijassa-897	165	64	1	1	NUM
ijassa-897	165	65	4	4	NUM
ijassa-897	165	66	3	3	NUM
ijassa-897	165	67	11	11	NUM
ijassa-897	165	68	19	19	NUM
ijassa-897	165	69	polynorbornenes	polynorbornene	NOUN
ijassa-897	165	70	5	5	NUM
ijassa-897	165	71	7	7	NUM
ijassa-897	165	72	2	2	NUM
ijassa-897	165	73	2	2	NUM
ijassa-897	165	74	2	2	NUM
ijassa-897	165	75	9	9	NUM
ijassa-897	165	76	1	1	NUM
ijassa-897	165	77	6	6	NUM
ijassa-897	165	78	3	3	NUM
ijassa-897	165	79	37	37	NUM
ijassa-897	165	80	polysulphones	polysulphone	NOUN
ijassa-897	165	81	19	19	NUM
ijassa-897	165	82	1	1	NUM
ijassa-897	165	83	18	18	NUM
ijassa-897	165	84	2	2	NUM
ijassa-897	165	85	40	40	NUM
ijassa-897	165	86	other	other	ADJ
ijassa-897	165	87	n	n	ADV
ijassa-897	165	88	-	-	PUNCT
ijassa-897	165	89	containing	contain	VERB
ijassa-897	165	90	4	4	NUM
ijassa-897	165	91	1	1	NUM
ijassa-897	165	92	5	5	NUM
ijassa-897	165	93	3	3	NUM
ijassa-897	165	94	4	4	NUM
ijassa-897	165	95	9	9	NUM
ijassa-897	165	96	26	26	NUM
ijassa-897	165	97	polyamides	polyamide	VERB
ijassa-897	165	98	11	11	NUM
ijassa-897	165	99	1	1	NUM
ijassa-897	165	100	16	16	NUM
ijassa-897	165	101	3	3	NUM
ijassa-897	165	102	2	2	NUM
ijassa-897	165	103	4	4	NUM
ijassa-897	165	104	37	37	NUM
ijassa-897	165	105	polystyrenes	polystyrene	VERB
ijassa-897	165	106	2	2	NUM
ijassa-897	165	107	3	3	NUM
ijassa-897	165	108	1	1	NUM
ijassa-897	165	109	2	2	NUM
ijassa-897	165	110	1	1	NUM
ijassa-897	165	111	13	13	NUM
ijassa-897	165	112	22	22	NUM
ijassa-897	165	113	vinylic	vinylic	ADJ
ijassa-897	165	114	polymers	polymer	NOUN
ijassa-897	165	115	1	1	NUM
ijassa-897	165	116	3	3	NUM
ijassa-897	165	117	2	2	NUM
ijassa-897	165	118	1	1	NUM
ijassa-897	165	119	5	5	NUM
ijassa-897	165	120	1	1	NUM
ijassa-897	165	121	1	1	NUM
ijassa-897	165	122	14	14	NUM
ijassa-897	165	123	polycarbonates	polycarbonate	NOUN
ijassa-897	165	124	14	14	NUM
ijassa-897	165	125	1	1	NUM
ijassa-897	165	126	1	1	NUM
ijassa-897	165	127	3	3	NUM
ijassa-897	165	128	19	19	NUM
ijassa-897	165	129	polyimides	polyimide	NOUN
ijassa-897	165	130	3	3	NUM
ijassa-897	165	131	3	3	NUM
ijassa-897	165	132	5	5	NUM
ijassa-897	165	133	6	6	NUM
ijassa-897	165	134	9	9	NUM
ijassa-897	165	135	16	16	NUM
ijassa-897	165	136	42	42	NUM
ijassa-897	165	137	polyamidoimides	polyamidoimide	NOUN
ijassa-897	165	138	2	2	NUM
ijassa-897	165	139	2	2	NUM
ijassa-897	165	140	1	1	NUM
ijassa-897	165	141	1	1	NUM
ijassa-897	165	142	11	11	NUM
ijassa-897	165	143	23	23	NUM
ijassa-897	165	144	40	40	NUM
ijassa-897	165	145	other	other	ADJ
ijassa-897	165	146	carbo	carbo	NOUN
ijassa-897	165	147	-	-	PUNCT
ijassa-897	165	148	chained	chain	VERB
ijassa-897	165	149	1	1	NUM
ijassa-897	165	150	2	2	NUM
ijassa-897	165	151	3	3	NUM
ijassa-897	165	152	other	other	ADJ
ijassa-897	165	153	hetero	hetero	NOUN
ijassa-897	165	154	-	-	PUNCT
ijassa-897	165	155	chained	chain	VERB
ijassa-897	165	156	1	1	NUM
ijassa-897	165	157	1	1	NUM
ijassa-897	165	158	sum	sum	NOUN
ijassa-897	165	159	by	by	ADP
ijassa-897	165	160	cluster	cluster	NOUN
ijassa-897	165	161	4	4	NUM
ijassa-897	165	162	15	15	NUM
ijassa-897	165	163	64	64	NUM
ijassa-897	165	164	34	34	NUM
ijassa-897	165	165	63	63	NUM
ijassa-897	165	166	20	20	NUM
ijassa-897	165	167	6	6	NUM
ijassa-897	165	168	34	34	NUM
ijassa-897	165	169	6	6	NUM
ijassa-897	165	170	31	31	NUM
ijassa-897	165	171	28	28	NUM
ijassa-897	165	172	11	11	NUM
ijassa-897	165	173	64	64	NUM
ijassa-897	165	174	4	4	NUM
ijassa-897	165	175	13	13	NUM
ijassa-897	165	176	397	397	NUM
ijassa-897	165	177	classifying	classify	VERB
ijassa-897	165	178	amorphous	amorphous	ADJ
ijassa-897	165	179	polymers	polymer	NOUN
ijassa-897	165	180	for	for	ADP
ijassa-897	165	181	membrane	membrane	NOUN
ijassa-897	165	182	technology	technology	NOUN
ijassa-897	165	183	…	…	PUNCT
ijassa-897	165	184	99	99	NUM
ijassa-897	165	185	copyright	copyright	NOUN
ijassa-897	165	186	©	©	PROPN
ijassa-897	165	187	2020	2020	NUM
ijassa-897	165	188	assa	assa	NOUN
ijassa-897	165	189	.	.	PUNCT
ijassa-897	166	1	adv	adv	PROPN
ijassa-897	166	2	.	.	PUNCT
ijassa-897	167	1	in	in	ADP
ijassa-897	167	2	systems	system	NOUN
ijassa-897	167	3	science	science	NOUN
ijassa-897	167	4	and	and	CCONJ
ijassa-897	167	5	appl	appl	NOUN
ijassa-897	167	6	.	.	PUNCT
ijassa-897	168	1	(	(	PUNCT
ijassa-897	168	2	2020	2020	NUM
ijassa-897	168	3	)	)	PUNCT
ijassa-897	168	4	fig	fig	NOUN
ijassa-897	168	5	.	.	PUNCT
ijassa-897	169	1	3.1	3.1	NUM
ijassa-897	169	2	.	.	PUNCT
ijassa-897	169	3	data	datum	NOUN
ijassa-897	169	4	embedding	embed	VERB
ijassa-897	169	5	in	in	ADP
ijassa-897	169	6	2d	2d	NOUN
ijassa-897	169	7	with	with	ADP
ijassa-897	169	8	tsne	tsne	ADJ
ijassa-897	169	9	algorithm	algorithm	NOUN
ijassa-897	169	10	(	(	PUNCT
ijassa-897	169	11	clusters	cluster	NOUN
ijassa-897	169	12	are	be	AUX
ijassa-897	169	13	shown	show	VERB
ijassa-897	169	14	with	with	ADP
ijassa-897	169	15	different	different	ADJ
ijassa-897	169	16	signs	sign	NOUN
ijassa-897	169	17	and	and	CCONJ
ijassa-897	169	18	colors	color	NOUN
ijassa-897	169	19	)	)	PUNCT
ijassa-897	170	1	4	4	NUM
ijassa-897	170	2	.	.	X
ijassa-897	170	3	clustering	clustering	NOUN
ijassa-897	170	4	and	and	CCONJ
ijassa-897	170	5	transport	transport	NOUN
ijassa-897	170	6	properties	property	NOUN
ijassa-897	170	7	the	the	DET
ijassa-897	170	8	clusters	cluster	NOUN
ijassa-897	170	9	constructed	construct	VERB
ijassa-897	170	10	turn	turn	VERB
ijassa-897	170	11	out	out	ADP
ijassa-897	170	12	to	to	PART
ijassa-897	170	13	be	be	AUX
ijassa-897	170	14	closely	closely	ADV
ijassa-897	170	15	related	relate	VERB
ijassa-897	170	16	to	to	ADP
ijassa-897	170	17	the	the	DET
ijassa-897	170	18	transport	transport	NOUN
ijassa-897	170	19	properties	property	NOUN
ijassa-897	170	20	of	of	ADP
ijassa-897	170	21	polymers	polymer	NOUN
ijassa-897	170	22	that	that	PRON
ijassa-897	170	23	are	be	AUX
ijassa-897	170	24	important	important	ADJ
ijassa-897	170	25	for	for	ADP
ijassa-897	170	26	membrane	membrane	NOUN
ijassa-897	170	27	technology	technology	NOUN
ijassa-897	170	28	,	,	PUNCT
ijassa-897	170	29	first	first	ADV
ijassa-897	170	30	of	of	ADP
ijassa-897	170	31	all	all	PRON
ijassa-897	170	32	,	,	PUNCT
ijassa-897	170	33	permeability	permeability	NOUN
ijassa-897	170	34	,	,	PUNCT
ijassa-897	170	35	diffusion	diffusion	NOUN
ijassa-897	170	36	,	,	PUNCT
ijassa-897	170	37	and	and	CCONJ
ijassa-897	170	38	solubility	solubility	NOUN
ijassa-897	170	39	coefficients	coefficient	NOUN
ijassa-897	170	40	of	of	ADP
ijassa-897	170	41	a	a	DET
ijassa-897	170	42	polymer	polymer	NOUN
ijassa-897	170	43	material	material	NOUN
ijassa-897	170	44	with	with	ADP
ijassa-897	170	45	respect	respect	NOUN
ijassa-897	170	46	to	to	ADP
ijassa-897	170	47	different	different	ADJ
ijassa-897	170	48	penetrant	penetrant	NOUN
ijassa-897	170	49	gases	gas	NOUN
ijassa-897	170	50	.	.	PUNCT
ijassa-897	171	1	the	the	DET
ijassa-897	171	2	,	,	PUNCT
ijassa-897	171	3	so	so	ADV
ijassa-897	171	4	-	-	PUNCT
ijassa-897	171	5	called	call	VERB
ijassa-897	171	6	,	,	PUNCT
ijassa-897	171	7	robeson	robeson	PROPN
ijassa-897	171	8	diagram	diagram	PROPN
ijassa-897	172	1	[	[	X
ijassa-897	172	2	18	18	NUM
ijassa-897	172	3	]	]	PUNCT
ijassa-897	172	4	is	be	AUX
ijassa-897	172	5	a	a	DET
ijassa-897	172	6	conventional	conventional	ADJ
ijassa-897	172	7	representation	representation	NOUN
ijassa-897	172	8	of	of	ADP
ijassa-897	172	9	transport	transport	NOUN
ijassa-897	172	10	properties	property	NOUN
ijassa-897	172	11	for	for	ADP
ijassa-897	172	12	a	a	DET
ijassa-897	172	13	collection	collection	NOUN
ijassa-897	172	14	of	of	ADP
ijassa-897	172	15	polymers	polymer	NOUN
ijassa-897	172	16	.	.	PUNCT
ijassa-897	173	1	the	the	DET
ijassa-897	173	2	robeson	robeson	PROPN
ijassa-897	173	3	diagram	diagram	PROPN
ijassa-897	173	4	is	be	AUX
ijassa-897	173	5	constructed	construct	VERB
ijassa-897	173	6	for	for	ADP
ijassa-897	173	7	a	a	DET
ijassa-897	173	8	pair	pair	NOUN
ijassa-897	173	9	of	of	ADP
ijassa-897	173	10	penetrant	penetrant	NOUN
ijassa-897	173	11	gases	gas	NOUN
ijassa-897	173	12	(	(	PUNCT
ijassa-897	173	13	for	for	ADP
ijassa-897	173	14	example	example	NOUN
ijassa-897	173	15	,	,	PUNCT
ijassa-897	173	16	oxygen	oxygen	NOUN
ijassa-897	173	17	-	-	PUNCT
ijassa-897	173	18	nitrogen	nitrogen	NOUN
ijassa-897	173	19	)	)	PUNCT
ijassa-897	173	20	in	in	ADP
ijassa-897	173	21	the	the	DET
ijassa-897	173	22	coordinates	coordinate	NOUN
ijassa-897	173	23	αp	αp	NOUN
ijassa-897	174	1	=	=	PUNCT
ijassa-897	174	2	po2	po2	ADJ
ijassa-897	174	3	/	/	SYM
ijassa-897	174	4	pn2	pn2	NOUN
ijassa-897	174	5	—	—	PUNCT
ijassa-897	174	6	separation	separation	NOUN
ijassa-897	174	7	selectivity	selectivity	NOUN
ijassa-897	174	8	of	of	ADP
ijassa-897	174	9	a	a	DET
ijassa-897	174	10	pair	pair	NOUN
ijassa-897	174	11	of	of	ADP
ijassa-897	174	12	gases	gas	NOUN
ijassa-897	174	13	(	(	PUNCT
ijassa-897	174	14	oxygen	oxygen	NOUN
ijassa-897	174	15	-	-	PUNCT
ijassa-897	174	16	nitrogen	nitrogen	NOUN
ijassa-897	174	17	)	)	PUNCT
ijassa-897	174	18	depending	depend	VERB
ijassa-897	174	19	on	on	ADP
ijassa-897	174	20	po2	po2	PROPN
ijassa-897	174	21	—	—	PUNCT
ijassa-897	174	22	the	the	DET
ijassa-897	174	23	permeability	permeability	NOUN
ijassa-897	174	24	coefficient	coefficient	NOUN
ijassa-897	174	25	for	for	ADP
ijassa-897	174	26	a	a	DET
ijassa-897	174	27	more	more	ADV
ijassa-897	174	28	permeable	permeable	ADJ
ijassa-897	174	29	gas	gas	NOUN
ijassa-897	174	30	(	(	PUNCT
ijassa-897	174	31	oxygen	oxygen	NOUN
ijassa-897	174	32	)	)	PUNCT
ijassa-897	174	33	and	and	CCONJ
ijassa-897	174	34	in	in	ADP
ijassa-897	174	35	coordinates	coordinate	NOUN
ijassa-897	174	36	αd	αd	PROPN
ijassa-897	174	37	=	=	SYM
ijassa-897	174	38	do2	do2	PROPN
ijassa-897	174	39	/	/	SYM
ijassa-897	174	40	dn2	dn2	NOUN
ijassa-897	174	41	—	—	PUNCT
ijassa-897	174	42	diffusion	diffusion	NOUN
ijassa-897	174	43	selectivity	selectivity	NOUN
ijassa-897	174	44	of	of	ADP
ijassa-897	174	45	a	a	DET
ijassa-897	174	46	pair	pair	NOUN
ijassa-897	174	47	of	of	ADP
ijassa-897	174	48	gases	gas	NOUN
ijassa-897	174	49	(	(	PUNCT
ijassa-897	174	50	oxygen	oxygen	NOUN
ijassa-897	174	51	-	-	PUNCT
ijassa-897	174	52	nitrogen	nitrogen	NOUN
ijassa-897	174	53	)	)	PUNCT
ijassa-897	174	54	depending	depend	VERB
ijassa-897	174	55	on	on	ADP
ijassa-897	174	56	do2	do2	NOUN
ijassa-897	174	57	—	—	PUNCT
ijassa-897	174	58	the	the	DET
ijassa-897	174	59	diffusion	diffusion	NOUN
ijassa-897	174	60	coefficient	coefficient	NOUN
ijassa-897	174	61	(	(	PUNCT
ijassa-897	174	62	see	see	VERB
ijassa-897	174	63	fig	fig	NOUN
ijassa-897	174	64	.	.	PUNCT
ijassa-897	175	1	4.1	4.1	NUM
ijassa-897	175	2	and	and	CCONJ
ijassa-897	175	3	fig	fig	NOUN
ijassa-897	175	4	.	.	PUNCT
ijassa-897	176	1	4.2	4.2	NUM
ijassa-897	176	2	,	,	PUNCT
ijassa-897	176	3	respectively	respectively	ADV
ijassa-897	176	4	)	)	PUNCT
ijassa-897	176	5	.	.	PUNCT
ijassa-897	177	1	100	100	NUM
ijassa-897	177	2	o.	o.	NOUN
ijassa-897	177	3	miloserdov	miloserdov	PROPN
ijassa-897	177	4	copyright	copyright	NOUN
ijassa-897	177	5	©	©	PROPN
ijassa-897	177	6	2020	2020	NUM
ijassa-897	177	7	assa	assa	NOUN
ijassa-897	177	8	.	.	PUNCT
ijassa-897	178	1	adv	adv	PROPN
ijassa-897	178	2	.	.	PUNCT
ijassa-897	179	1	in	in	ADP
ijassa-897	179	2	systems	system	NOUN
ijassa-897	179	3	science	science	NOUN
ijassa-897	179	4	and	and	CCONJ
ijassa-897	179	5	appl	appl	NOUN
ijassa-897	179	6	.	.	PUNCT
ijassa-897	180	1	(	(	PUNCT
ijassa-897	180	2	2020	2020	NUM
ijassa-897	180	3	)	)	PUNCT
ijassa-897	181	1	robeson	robeson	PROPN
ijassa-897	181	2	diagrams	diagram	NOUN
ijassa-897	181	3	are	be	AUX
ijassa-897	181	4	often	often	ADV
ijassa-897	181	5	used	use	VERB
ijassa-897	181	6	by	by	ADP
ijassa-897	181	7	membrane	membrane	NOUN
ijassa-897	181	8	gas	gas	NOUN
ijassa-897	181	9	separation	separation	NOUN
ijassa-897	181	10	specialists	specialist	NOUN
ijassa-897	181	11	for	for	ADP
ijassa-897	181	12	comparative	comparative	ADJ
ijassa-897	181	13	analysis	analysis	NOUN
ijassa-897	181	14	of	of	ADP
ijassa-897	181	15	different	different	ADJ
ijassa-897	181	16	groups	group	NOUN
ijassa-897	181	17	of	of	ADP
ijassa-897	181	18	polymers	polymer	NOUN
ijassa-897	181	19	.	.	PUNCT
ijassa-897	182	1	hence	hence	ADV
ijassa-897	182	2	,	,	PUNCT
ijassa-897	182	3	it	it	PRON
ijassa-897	182	4	is	be	AUX
ijassa-897	182	5	quite	quite	ADV
ijassa-897	182	6	natural	natural	ADJ
ijassa-897	182	7	to	to	PART
ijassa-897	182	8	represent	represent	VERB
ijassa-897	182	9	the	the	DET
ijassa-897	182	10	clusters	cluster	NOUN
ijassa-897	182	11	of	of	ADP
ijassa-897	182	12	polymers	polymer	NOUN
ijassa-897	182	13	constructed	construct	VERB
ijassa-897	182	14	in	in	ADP
ijassa-897	182	15	the	the	DET
ijassa-897	182	16	previous	previous	ADJ
ijassa-897	182	17	section	section	NOUN
ijassa-897	182	18	as	as	ADP
ijassa-897	182	19	the	the	DET
ijassa-897	182	20	points	point	NOUN
ijassa-897	182	21	on	on	ADP
ijassa-897	182	22	a	a	DET
ijassa-897	182	23	robeson	robeson	PROPN
ijassa-897	182	24	diagram	diagram	NOUN
ijassa-897	182	25	to	to	PART
ijassa-897	182	26	analyze	analyze	VERB
ijassa-897	182	27	the	the	DET
ijassa-897	182	28	relation	relation	NOUN
ijassa-897	182	29	between	between	ADP
ijassa-897	182	30	the	the	DET
ijassa-897	182	31	obtained	obtain	VERB
ijassa-897	182	32	classification	classification	NOUN
ijassa-897	182	33	of	of	ADP
ijassa-897	182	34	polymers	polymer	NOUN
ijassa-897	182	35	and	and	CCONJ
ijassa-897	182	36	their	their	PRON
ijassa-897	182	37	transport	transport	NOUN
ijassa-897	182	38	properties	property	NOUN
ijassa-897	182	39	.	.	PUNCT
ijassa-897	183	1	the	the	DET
ijassa-897	183	2	experimental	experimental	ADJ
ijassa-897	183	3	data	datum	NOUN
ijassa-897	183	4	on	on	ADP
ijassa-897	183	5	the	the	DET
ijassa-897	183	6	coefficient	coefficient	NOUN
ijassa-897	183	7	of	of	ADP
ijassa-897	183	8	permeability	permeability	NOUN
ijassa-897	183	9	and	and	CCONJ
ijassa-897	183	10	diffusion	diffusion	NOUN
ijassa-897	183	11	were	be	AUX
ijassa-897	183	12	taken	take	VERB
ijassa-897	183	13	from	from	ADP
ijassa-897	183	14	the	the	DET
ijassa-897	183	15	database	database	NOUN
ijassa-897	183	16	.	.	PUNCT
ijassa-897	184	1	since	since	SCONJ
ijassa-897	184	2	the	the	DET
ijassa-897	184	3	experimental	experimental	ADJ
ijassa-897	184	4	data	datum	NOUN
ijassa-897	184	5	were	be	AUX
ijassa-897	184	6	obtained	obtain	VERB
ijassa-897	184	7	at	at	ADP
ijassa-897	184	8	various	various	ADJ
ijassa-897	184	9	temperatures	temperature	NOUN
ijassa-897	184	10	,	,	PUNCT
ijassa-897	184	11	they	they	PRON
ijassa-897	184	12	were	be	AUX
ijassa-897	184	13	brought	bring	VERB
ijassa-897	184	14	to	to	ADP
ijassa-897	184	15	a	a	DET
ijassa-897	184	16	single	single	ADJ
ijassa-897	184	17	standard	standard	ADJ
ijassa-897	184	18	value	value	NOUN
ijassa-897	184	19	of	of	ADP
ijassa-897	184	20	308k	308k	NOUN
ijassa-897	184	21	using	use	VERB
ijassa-897	184	22	the	the	DET
ijassa-897	184	23	algorithm	algorithm	NOUN
ijassa-897	184	24	from	from	ADP
ijassa-897	184	25	[	[	X
ijassa-897	184	26	2	2	NUM
ijassa-897	184	27	]	]	PUNCT
ijassa-897	184	28	.	.	PUNCT
ijassa-897	185	1	then	then	ADV
ijassa-897	185	2	,	,	PUNCT
ijassa-897	185	3	the	the	DET
ijassa-897	185	4	diagrams	diagram	NOUN
ijassa-897	185	5	were	be	AUX
ijassa-897	185	6	constructed	construct	VERB
ijassa-897	185	7	using	use	VERB
ijassa-897	185	8	the	the	DET
ijassa-897	185	9	experimental	experimental	ADJ
ijassa-897	185	10	data	datum	NOUN
ijassa-897	185	11	on	on	ADP
ijassa-897	185	12	the	the	DET
ijassa-897	185	13	permeability	permeability	NOUN
ijassa-897	185	14	(	(	PUNCT
ijassa-897	185	15	see	see	VERB
ijassa-897	185	16	fig	fig	NOUN
ijassa-897	185	17	.	.	PUNCT
ijassa-897	186	1	4.1	4.1	NUM
ijassa-897	186	2	)	)	PUNCT
ijassa-897	186	3	and	and	CCONJ
ijassa-897	186	4	diffusion	diffusion	NOUN
ijassa-897	186	5	(	(	PUNCT
ijassa-897	186	6	see	see	VERB
ijassa-897	186	7	fig	fig	NOUN
ijassa-897	186	8	.	.	PUNCT
ijassa-897	187	1	4.2	4.2	NUM
ijassa-897	187	2	)	)	PUNCT
ijassa-897	187	3	coefficients	coefficient	NOUN
ijassa-897	187	4	available	available	ADJ
ijassa-897	187	5	from	from	ADP
ijassa-897	187	6	the	the	DET
ijassa-897	187	7	database	database	NOUN
ijassa-897	187	8	.	.	PUNCT
ijassa-897	188	1	for	for	ADP
ijassa-897	188	2	the	the	DET
ijassa-897	188	3	convenience	convenience	NOUN
ijassa-897	188	4	of	of	ADP
ijassa-897	188	5	the	the	DET
ijassa-897	188	6	analysis	analysis	NOUN
ijassa-897	188	7	,	,	PUNCT
ijassa-897	188	8	along	along	ADP
ijassa-897	188	9	with	with	ADP
ijassa-897	188	10	the	the	DET
ijassa-897	188	11	points	point	NOUN
ijassa-897	188	12	of	of	ADP
ijassa-897	188	13	an	an	DET
ijassa-897	188	14	individual	individual	ADJ
ijassa-897	188	15	cluster	cluster	NOUN
ijassa-897	188	16	the	the	DET
ijassa-897	188	17	center	center	NOUN
ijassa-897	188	18	of	of	ADP
ijassa-897	188	19	this	this	DET
ijassa-897	188	20	cluster	cluster	NOUN
ijassa-897	188	21	and	and	CCONJ
ijassa-897	188	22	the	the	DET
ijassa-897	188	23	center	center	NOUN
ijassa-897	188	24	of	of	ADP
ijassa-897	188	25	the	the	DET
ijassa-897	188	26	entire	entire	ADJ
ijassa-897	188	27	data	data	NOUN
ijassa-897	188	28	sample	sample	NOUN
ijassa-897	188	29	(	(	PUNCT
ijassa-897	188	30	calculated	calculate	VERB
ijassa-897	188	31	without	without	ADP
ijassa-897	188	32	the	the	DET
ijassa-897	188	33	explicit	explicit	ADJ
ijassa-897	188	34	outliers	outlier	NOUN
ijassa-897	188	35	)	)	PUNCT
ijassa-897	188	36	are	be	AUX
ijassa-897	188	37	added	add	VERB
ijassa-897	188	38	to	to	ADP
ijassa-897	188	39	the	the	DET
ijassa-897	188	40	robeson	robeson	PROPN
ijassa-897	188	41	diagram	diagram	PROPN
ijassa-897	188	42	.	.	PUNCT
ijassa-897	189	1	the	the	DET
ijassa-897	189	2	clusters	cluster	NOUN
ijassa-897	189	3	turn	turn	VERB
ijassa-897	189	4	out	out	ADP
ijassa-897	189	5	to	to	PART
ijassa-897	189	6	be	be	AUX
ijassa-897	189	7	closely	closely	ADV
ijassa-897	189	8	related	relate	VERB
ijassa-897	189	9	to	to	ADP
ijassa-897	189	10	the	the	DET
ijassa-897	189	11	transport	transport	NOUN
ijassa-897	189	12	properties	property	NOUN
ijassa-897	189	13	of	of	ADP
ijassa-897	189	14	polymers	polymer	NOUN
ijassa-897	189	15	.	.	PUNCT
ijassa-897	190	1	the	the	DET
ijassa-897	190	2	location	location	NOUN
ijassa-897	190	3	of	of	ADP
ijassa-897	190	4	the	the	DET
ijassa-897	190	5	center	center	NOUN
ijassa-897	190	6	of	of	ADP
ijassa-897	190	7	mass	mass	NOUN
ijassa-897	190	8	of	of	ADP
ijassa-897	190	9	the	the	DET
ijassa-897	190	10	cluster	cluster	NOUN
ijassa-897	190	11	relative	relative	ADJ
ijassa-897	190	12	to	to	ADP
ijassa-897	190	13	the	the	DET
ijassa-897	190	14	center	center	NOUN
ijassa-897	190	15	of	of	ADP
ijassa-897	190	16	mass	mass	NOUN
ijassa-897	190	17	of	of	ADP
ijassa-897	190	18	the	the	DET
ijassa-897	190	19	entire	entire	ADJ
ijassa-897	190	20	data	datum	NOUN
ijassa-897	190	21	sample	sample	NOUN
ijassa-897	190	22	,	,	PUNCT
ijassa-897	190	23	the	the	DET
ijassa-897	190	24	shape	shape	NOUN
ijassa-897	190	25	of	of	ADP
ijassa-897	190	26	the	the	DET
ijassa-897	190	27	cluster	cluster	NOUN
ijassa-897	190	28	and	and	CCONJ
ijassa-897	190	29	its	its	PRON
ijassa-897	190	30	composition	composition	NOUN
ijassa-897	190	31	demonstrate	demonstrate	VERB
ijassa-897	190	32	these	these	DET
ijassa-897	190	33	relationships	relationship	NOUN
ijassa-897	190	34	.	.	PUNCT
ijassa-897	191	1	the	the	DET
ijassa-897	191	2	first	first	ADJ
ijassa-897	191	3	thing	thing	NOUN
ijassa-897	191	4	worth	worth	ADJ
ijassa-897	191	5	noting	note	VERB
ijassa-897	191	6	is	be	AUX
ijassa-897	191	7	that	that	SCONJ
ijassa-897	191	8	the	the	DET
ijassa-897	191	9	points	point	NOUN
ijassa-897	191	10	of	of	ADP
ijassa-897	191	11	most	most	ADJ
ijassa-897	191	12	clusters	cluster	NOUN
ijassa-897	191	13	are	be	AUX
ijassa-897	191	14	rather	rather	ADV
ijassa-897	191	15	crowded	crowded	ADJ
ijassa-897	191	16	on	on	ADP
ijassa-897	191	17	the	the	DET
ijassa-897	191	18	robeson	robeson	PROPN
ijassa-897	191	19	diagrams	diagram	NOUN
ijassa-897	191	20	.	.	PUNCT
ijassa-897	192	1	consequently	consequently	ADV
ijassa-897	192	2	,	,	PUNCT
ijassa-897	192	3	materials	material	NOUN
ijassa-897	192	4	with	with	ADP
ijassa-897	192	5	similar	similar	ADJ
ijassa-897	192	6	transport	transport	NOUN
ijassa-897	192	7	properties	property	NOUN
ijassa-897	192	8	are	be	AUX
ijassa-897	192	9	collected	collect	VERB
ijassa-897	192	10	in	in	ADP
ijassa-897	192	11	one	one	NUM
ijassa-897	192	12	cluster	cluster	NOUN
ijassa-897	192	13	.	.	PUNCT
ijassa-897	193	1	it	it	PRON
ijassa-897	193	2	is	be	AUX
ijassa-897	193	3	important	important	ADJ
ijassa-897	193	4	that	that	SCONJ
ijassa-897	193	5	clustering	clustering	NOUN
ijassa-897	193	6	was	be	AUX
ijassa-897	193	7	built	build	VERB
ijassa-897	193	8	only	only	ADV
ijassa-897	193	9	on	on	ADP
ijassa-897	193	10	the	the	DET
ijassa-897	193	11	basis	basis	NOUN
ijassa-897	193	12	of	of	ADP
ijassa-897	193	13	the	the	DET
ijassa-897	193	14	shape	shape	NOUN
ijassa-897	193	15	and	and	CCONJ
ijassa-897	193	16	geometry	geometry	NOUN
ijassa-897	193	17	of	of	ADP
ijassa-897	193	18	conformations	conformation	NOUN
ijassa-897	193	19	of	of	ADP
ijassa-897	193	20	polymer	polymer	NOUN
ijassa-897	193	21	molecules	molecule	NOUN
ijassa-897	193	22	without	without	ADP
ijassa-897	193	23	using	use	VERB
ijassa-897	193	24	any	any	DET
ijassa-897	193	25	hint	hint	NOUN
ijassa-897	193	26	like	like	ADP
ijassa-897	193	27	the	the	DET
ijassa-897	193	28	chemical	chemical	NOUN
ijassa-897	193	29	class	class	NOUN
ijassa-897	193	30	of	of	ADP
ijassa-897	193	31	a	a	DET
ijassa-897	193	32	polymer	polymer	NOUN
ijassa-897	193	33	.	.	PUNCT
ijassa-897	194	1	now	now	ADV
ijassa-897	194	2	consider	consider	VERB
ijassa-897	194	3	the	the	DET
ijassa-897	194	4	clusters	cluster	NOUN
ijassa-897	194	5	separately	separately	ADV
ijassa-897	194	6	.	.	PUNCT
ijassa-897	195	1	the	the	DET
ijassa-897	195	2	most	most	ADV
ijassa-897	195	3	revealing	revealing	ADJ
ijassa-897	195	4	relationships	relationship	NOUN
ijassa-897	195	5	can	can	AUX
ijassa-897	195	6	be	be	AUX
ijassa-897	195	7	found	find	VERB
ijassa-897	195	8	on	on	ADP
ijassa-897	195	9	the	the	DET
ijassa-897	195	10	robeson	robeson	PROPN
ijassa-897	195	11	diagram	diagram	NOUN
ijassa-897	195	12	for	for	ADP
ijassa-897	195	13	the	the	DET
ijassa-897	195	14	diffusion	diffusion	NOUN
ijassa-897	195	15	selectivity	selectivity	NOUN
ijassa-897	195	16	in	in	ADP
ijassa-897	195	17	figure	figure	NOUN
ijassa-897	195	18	4.2	4.2	NUM
ijassa-897	195	19	.	.	PUNCT
ijassa-897	196	1	so	so	ADV
ijassa-897	196	2	,	,	PUNCT
ijassa-897	196	3	the	the	DET
ijassa-897	196	4	centers	center	NOUN
ijassa-897	196	5	of	of	ADP
ijassa-897	196	6	mass	mass	NOUN
ijassa-897	196	7	of	of	ADP
ijassa-897	196	8	large	large	ADJ
ijassa-897	196	9	clusters	cluster	NOUN
ijassa-897	196	10	3	3	NUM
ijassa-897	196	11	,	,	PUNCT
ijassa-897	196	12	5	5	NUM
ijassa-897	196	13	,	,	PUNCT
ijassa-897	196	14	13	13	NUM
ijassa-897	196	15	are	be	AUX
ijassa-897	196	16	shifted	shift	VERB
ijassa-897	196	17	to	to	ADP
ijassa-897	196	18	the	the	DET
ijassa-897	196	19	upper	upper	ADJ
ijassa-897	196	20	left	left	NOUN
ijassa-897	196	21	quadrant	quadrant	NOUN
ijassa-897	196	22	of	of	ADP
ijassa-897	196	23	the	the	DET
ijassa-897	196	24	general	general	ADJ
ijassa-897	196	25	diagram	diagram	NOUN
ijassa-897	196	26	.	.	PUNCT
ijassa-897	197	1	this	this	PRON
ijassa-897	197	2	indicates	indicate	VERB
ijassa-897	197	3	a	a	DET
ijassa-897	197	4	high	high	ADJ
ijassa-897	197	5	selectivity	selectivity	NOUN
ijassa-897	197	6	for	for	ADP
ijassa-897	197	7	d	d	NOUN
ijassa-897	197	8	with	with	ADP
ijassa-897	197	9	a	a	DET
ijassa-897	197	10	low	low	ADJ
ijassa-897	197	11	diffusivity	diffusivity	NOUN
ijassa-897	197	12	.	.	PUNCT
ijassa-897	198	1	moreover	moreover	ADV
ijassa-897	198	2	,	,	PUNCT
ijassa-897	198	3	in	in	ADP
ijassa-897	198	4	combination	combination	NOUN
ijassa-897	198	5	with	with	ADP
ijassa-897	198	6	the	the	DET
ijassa-897	198	7	information	information	NOUN
ijassa-897	198	8	from	from	ADP
ijassa-897	198	9	fig	fig	NOUN
ijassa-897	198	10	.	.	PUNCT
ijassa-897	199	1	4.1	4.1	NUM
ijassa-897	199	2	,	,	PUNCT
ijassa-897	199	3	polymers	polymer	NOUN
ijassa-897	199	4	from	from	ADP
ijassa-897	199	5	these	these	DET
ijassa-897	199	6	clusters	cluster	NOUN
ijassa-897	199	7	are	be	AUX
ijassa-897	199	8	a	a	DET
ijassa-897	199	9	good	good	ADJ
ijassa-897	199	10	combination	combination	NOUN
ijassa-897	199	11	of	of	ADP
ijassa-897	199	12	permeability	permeability	NOUN
ijassa-897	199	13	selectivity	selectivity	NOUN
ijassa-897	199	14	and	and	CCONJ
ijassa-897	199	15	permeability	permeability	NOUN
ijassa-897	199	16	itself	itself	PRON
ijassa-897	199	17	.	.	PUNCT
ijassa-897	200	1	also	also	ADV
ijassa-897	200	2	,	,	PUNCT
ijassa-897	200	3	cluster	cluster	NOUN
ijassa-897	200	4	11	11	NUM
ijassa-897	200	5	can	can	AUX
ijassa-897	200	6	be	be	AUX
ijassa-897	200	7	attributed	attribute	VERB
ijassa-897	200	8	to	to	ADP
ijassa-897	200	9	them	they	PRON
ijassa-897	200	10	if	if	SCONJ
ijassa-897	200	11	there	there	PRON
ijassa-897	200	12	were	be	VERB
ijassa-897	200	13	more	more	ADV
ijassa-897	200	14	experimental	experimental	ADJ
ijassa-897	200	15	data	datum	NOUN
ijassa-897	200	16	on	on	ADP
ijassa-897	200	17	the	the	DET
ijassa-897	200	18	diffusion	diffusion	NOUN
ijassa-897	200	19	coefficient	coefficient	NOUN
ijassa-897	200	20	.	.	PUNCT
ijassa-897	201	1	for	for	ADP
ijassa-897	201	2	the	the	DET
ijassa-897	201	3	most	most	ADJ
ijassa-897	201	4	part	part	NOUN
ijassa-897	201	5	,	,	PUNCT
ijassa-897	201	6	polymers	polymer	NOUN
ijassa-897	201	7	from	from	ADP
ijassa-897	201	8	clusters	cluster	NOUN
ijassa-897	201	9	6	6	NUM
ijassa-897	201	10	,	,	PUNCT
ijassa-897	201	11	8	8	NUM
ijassa-897	201	12	,	,	PUNCT
ijassa-897	201	13	12	12	NUM
ijassa-897	201	14	turned	turn	VERB
ijassa-897	201	15	out	out	ADP
ijassa-897	201	16	to	to	PART
ijassa-897	201	17	be	be	AUX
ijassa-897	201	18	low	low	ADJ
ijassa-897	201	19	-	-	PUNCT
ijassa-897	201	20	selective	selective	ADJ
ijassa-897	201	21	in	in	ADP
ijassa-897	201	22	terms	term	NOUN
ijassa-897	201	23	of	of	ADP
ijassa-897	201	24	permeability	permeability	NOUN
ijassa-897	201	25	and	and	CCONJ
ijassa-897	201	26	diffusion	diffusion	NOUN
ijassa-897	201	27	.	.	PUNCT
ijassa-897	202	1	however	however	ADV
ijassa-897	202	2	,	,	PUNCT
ijassa-897	202	3	they	they	PRON
ijassa-897	202	4	were	be	AUX
ijassa-897	202	5	highly	highly	ADV
ijassa-897	202	6	permeable	permeable	ADJ
ijassa-897	202	7	and	and	CCONJ
ijassa-897	202	8	highly	highly	ADV
ijassa-897	202	9	diffuse	diffuse	ADJ
ijassa-897	202	10	.	.	PUNCT
ijassa-897	203	1	from	from	ADP
ijassa-897	203	2	table	table	NOUN
ijassa-897	203	3	3.1	3.1	NUM
ijassa-897	203	4	it	it	PRON
ijassa-897	203	5	can	can	AUX
ijassa-897	203	6	be	be	AUX
ijassa-897	203	7	noted	note	VERB
ijassa-897	203	8	that	that	SCONJ
ijassa-897	203	9	,	,	PUNCT
ijassa-897	203	10	in	in	ADP
ijassa-897	203	11	general	general	ADJ
ijassa-897	203	12	,	,	PUNCT
ijassa-897	203	13	clustering	clustering	NOUN
ijassa-897	203	14	does	do	AUX
ijassa-897	203	15	not	not	PART
ijassa-897	203	16	depend	depend	VERB
ijassa-897	203	17	on	on	ADP
ijassa-897	203	18	the	the	DET
ijassa-897	203	19	chemical	chemical	ADJ
ijassa-897	203	20	class	class	NOUN
ijassa-897	203	21	of	of	ADP
ijassa-897	203	22	polymers	polymer	NOUN
ijassa-897	203	23	.	.	PUNCT
ijassa-897	204	1	so	so	ADV
ijassa-897	204	2	,	,	PUNCT
ijassa-897	204	3	the	the	DET
ijassa-897	204	4	above	above	ADJ
ijassa-897	204	5	clusters	cluster	NOUN
ijassa-897	204	6	3	3	NUM
ijassa-897	204	7	,	,	PUNCT
ijassa-897	204	8	5	5	NUM
ijassa-897	204	9	,	,	PUNCT
ijassa-897	204	10	6	6	NUM
ijassa-897	204	11	,	,	PUNCT
ijassa-897	204	12	8	8	NUM
ijassa-897	204	13	,	,	PUNCT
ijassa-897	204	14	13	13	NUM
ijassa-897	204	15	consist	consist	NOUN
ijassa-897	204	16	of	of	ADP
ijassa-897	204	17	polymers	polymer	NOUN
ijassa-897	204	18	of	of	ADP
ijassa-897	204	19	various	various	ADJ
ijassa-897	204	20	chemical	chemical	ADJ
ijassa-897	204	21	classes	class	NOUN
ijassa-897	204	22	.	.	PUNCT
ijassa-897	205	1	however	however	ADV
ijassa-897	205	2	,	,	PUNCT
ijassa-897	205	3	there	there	PRON
ijassa-897	205	4	are	be	VERB
ijassa-897	205	5	exceptions	exception	NOUN
ijassa-897	205	6	.	.	PUNCT
ijassa-897	206	1	for	for	ADP
ijassa-897	206	2	example	example	NOUN
ijassa-897	206	3	,	,	PUNCT
ijassa-897	206	4	all	all	PRON
ijassa-897	206	5	highly	highly	ADV
ijassa-897	206	6	diffuse	diffuse	ADJ
ijassa-897	206	7	and	and	CCONJ
ijassa-897	206	8	highly	highly	ADV
ijassa-897	206	9	permeable	permeable	ADJ
ijassa-897	206	10	polymers	polymer	NOUN
ijassa-897	206	11	with	with	ADP
ijassa-897	206	12	a	a	DET
ijassa-897	206	13	low	low	ADJ
ijassa-897	206	14	selectivity	selectivity	NOUN
ijassa-897	206	15	from	from	ADP
ijassa-897	206	16	12	12	NUM
ijassa-897	206	17	cluster	cluster	NOUN
ijassa-897	206	18	are	be	AUX
ijassa-897	206	19	polyacetylenes	polyacetylene	NOUN
ijassa-897	206	20	.	.	PUNCT
ijassa-897	207	1	all	all	DET
ijassa-897	207	2	polyphosphasenes	polyphosphasene	NOUN
ijassa-897	207	3	entered	enter	VERB
ijassa-897	207	4	cluster	cluster	NOUN
ijassa-897	207	5	8	8	NUM
ijassa-897	207	6	,	,	PUNCT
ijassa-897	207	7	most	most	ADJ
ijassa-897	207	8	polycarbonates	polycarbonate	NOUN
ijassa-897	207	9	entered	enter	VERB
ijassa-897	207	10	cluster	cluster	NOUN
ijassa-897	207	11	3	3	NUM
ijassa-897	207	12	,	,	PUNCT
ijassa-897	207	13	and	and	CCONJ
ijassa-897	207	14	polysulphones	polysulphone	NOUN
ijassa-897	207	15	were	be	AUX
ijassa-897	207	16	divided	divide	VERB
ijassa-897	207	17	into	into	ADP
ijassa-897	207	18	two	two	NUM
ijassa-897	207	19	clusters	cluster	NOUN
ijassa-897	207	20	5	5	NUM
ijassa-897	207	21	and	and	CCONJ
ijassa-897	207	22	10	10	NUM
ijassa-897	207	23	.	.	PUNCT
ijassa-897	208	1	polyamidoimides	polyamidoimide	NOUN
ijassa-897	208	2	and	and	CCONJ
ijassa-897	208	3	polyimides	polyimide	NOUN
ijassa-897	208	4	,	,	PUNCT
ijassa-897	208	5	being	be	AUX
ijassa-897	208	6	often	often	ADV
ijassa-897	208	7	similar	similar	ADJ
ijassa-897	208	8	in	in	ADP
ijassa-897	208	9	structure	structure	NOUN
ijassa-897	208	10	and	and	CCONJ
ijassa-897	208	11	properties	property	NOUN
ijassa-897	208	12	,	,	PUNCT
ijassa-897	208	13	were	be	AUX
ijassa-897	208	14	mainly	mainly	ADV
ijassa-897	208	15	divided	divide	VERB
ijassa-897	208	16	into	into	ADP
ijassa-897	208	17	clusters	cluster	NOUN
ijassa-897	208	18	11	11	NUM
ijassa-897	208	19	and	and	CCONJ
ijassa-897	208	20	13	13	NUM
ijassa-897	208	21	.	.	PUNCT
ijassa-897	209	1	let	let	VERB
ijassa-897	209	2	us	we	PRON
ijassa-897	209	3	turn	turn	VERB
ijassa-897	209	4	to	to	ADP
ijassa-897	209	5	the	the	DET
ijassa-897	209	6	structure	structure	NOUN
ijassa-897	209	7	of	of	ADP
ijassa-897	209	8	polymers	polymer	NOUN
ijassa-897	209	9	themselves	themselves	PRON
ijassa-897	209	10	.	.	PUNCT
ijassa-897	210	1	cluster	cluster	NOUN
ijassa-897	210	2	6	6	NUM
ijassa-897	210	3	consists	consist	VERB
ijassa-897	210	4	only	only	ADV
ijassa-897	210	5	of	of	ADP
ijassa-897	210	6	polymers	polymer	NOUN
ijassa-897	210	7	with	with	ADP
ijassa-897	210	8	bulky	bulky	ADJ
ijassa-897	210	9	fluorine	fluorine	NOUN
ijassa-897	210	10	substituents	substituent	NOUN
ijassa-897	210	11	,	,	PUNCT
ijassa-897	210	12	which	which	PRON
ijassa-897	210	13	in	in	ADP
ijassa-897	210	14	this	this	DET
ijassa-897	210	15	case	case	NOUN
ijassa-897	210	16	belong	belong	VERB
ijassa-897	210	17	to	to	ADP
ijassa-897	210	18	different	different	ADJ
ijassa-897	210	19	chemical	chemical	NOUN
ijassa-897	210	20	classes	class	NOUN
ijassa-897	210	21	.	.	PUNCT
ijassa-897	211	1	in	in	ADP
ijassa-897	211	2	combination	combination	NOUN
ijassa-897	211	3	with	with	ADP
ijassa-897	211	4	the	the	DET
ijassa-897	211	5	information	information	NOUN
ijassa-897	211	6	that	that	PRON
ijassa-897	211	7	the	the	DET
ijassa-897	211	8	polymers	polymer	NOUN
ijassa-897	211	9	of	of	ADP
ijassa-897	211	10	this	this	DET
ijassa-897	211	11	cluster	cluster	NOUN
ijassa-897	211	12	are	be	AUX
ijassa-897	211	13	highly	highly	ADV
ijassa-897	211	14	permeable	permeable	ADJ
ijassa-897	211	15	and	and	CCONJ
ijassa-897	211	16	highly	highly	ADV
ijassa-897	211	17	diffuse	diffuse	ADJ
ijassa-897	211	18	and	and	CCONJ
ijassa-897	211	19	,	,	PUNCT
ijassa-897	211	20	at	at	ADP
ijassa-897	211	21	the	the	DET
ijassa-897	211	22	same	same	ADJ
ijassa-897	211	23	time	time	NOUN
ijassa-897	211	24	,	,	PUNCT
ijassa-897	211	25	low	low	ADJ
ijassa-897	211	26	selective	selective	ADJ
ijassa-897	211	27	,	,	PUNCT
ijassa-897	211	28	one	one	PRON
ijassa-897	211	29	can	can	AUX
ijassa-897	211	30	judge	judge	VERB
ijassa-897	211	31	the	the	DET
ijassa-897	211	32	consequences	consequence	NOUN
ijassa-897	211	33	of	of	ADP
ijassa-897	211	34	adding	add	VERB
ijassa-897	211	35	bulky	bulky	ADJ
ijassa-897	211	36	fluorine	fluorine	NOUN
ijassa-897	211	37	substituents	substituent	NOUN
ijassa-897	211	38	.	.	PUNCT
ijassa-897	212	1	moreover	moreover	ADV
ijassa-897	212	2	,	,	PUNCT
ijassa-897	212	3	cluster	cluster	NOUN
ijassa-897	212	4	7	7	NUM
ijassa-897	212	5	,	,	PUNCT
ijassa-897	212	6	which	which	PRON
ijassa-897	212	7	contains	contain	VERB
ijassa-897	212	8	mainly	mainly	ADV
ijassa-897	212	9	polymers	polymer	NOUN
ijassa-897	212	10	with	with	ADP
ijassa-897	212	11	a	a	DET
ijassa-897	212	12	pentafluorophenyl	pentafluorophenyl	NOUN
ijassa-897	212	13	group	group	NOUN
ijassa-897	212	14	,	,	PUNCT
ijassa-897	212	15	is	be	AUX
ijassa-897	212	16	rather	rather	ADV
ijassa-897	212	17	the	the	DET
ijassa-897	212	18	opposite	opposite	NOUN
ijassa-897	212	19	of	of	ADP
ijassa-897	212	20	low	low	ADJ
ijassa-897	212	21	selectivity	selectivity	NOUN
ijassa-897	212	22	and	and	CCONJ
ijassa-897	212	23	low	low	ADJ
ijassa-897	212	24	diffusion	diffusion	NOUN
ijassa-897	212	25	.	.	PUNCT
ijassa-897	213	1	this	this	PRON
ijassa-897	213	2	suggests	suggest	VERB
ijassa-897	213	3	that	that	SCONJ
ijassa-897	213	4	not	not	PART
ijassa-897	213	5	always	always	ADV
ijassa-897	213	6	the	the	DET
ijassa-897	213	7	presence	presence	NOUN
ijassa-897	213	8	of	of	ADP
ijassa-897	213	9	a	a	DET
ijassa-897	213	10	large	large	ADJ
ijassa-897	213	11	number	number	NOUN
ijassa-897	213	12	of	of	ADP
ijassa-897	213	13	fluorine	fluorine	NOUN
ijassa-897	213	14	molecules	molecule	NOUN
ijassa-897	213	15	leads	lead	VERB
ijassa-897	213	16	to	to	ADP
ijassa-897	213	17	properties	property	NOUN
ijassa-897	213	18	similar	similar	ADJ
ijassa-897	213	19	to	to	ADP
ijassa-897	213	20	polymers	polymer	NOUN
ijassa-897	213	21	of	of	ADP
ijassa-897	213	22	6	6	NUM
ijassa-897	213	23	.	.	PUNCT
ijassa-897	214	1	it	it	PRON
ijassa-897	214	2	is	be	AUX
ijassa-897	214	3	also	also	ADV
ijassa-897	214	4	interesting	interesting	ADJ
ijassa-897	214	5	to	to	PART
ijassa-897	214	6	compare	compare	VERB
ijassa-897	214	7	cluster	cluster	NOUN
ijassa-897	214	8	6	6	NUM
ijassa-897	214	9	and	and	CCONJ
ijassa-897	214	10	cluster	cluster	NOUN
ijassa-897	214	11	10	10	NUM
ijassa-897	214	12	.	.	PUNCT
ijassa-897	215	1	cluster	cluster	NOUN
ijassa-897	215	2	10	10	NUM
ijassa-897	215	3	also	also	ADV
ijassa-897	215	4	has	have	VERB
ijassa-897	215	5	bulky	bulky	ADJ
ijassa-897	215	6	fluorine	fluorine	NOUN
ijassa-897	215	7	substituents	substituent	NOUN
ijassa-897	215	8	;	;	PUNCT
ijassa-897	215	9	however	however	ADV
ijassa-897	215	10	,	,	PUNCT
ijassa-897	215	11	monomer	monomer	NOUN
ijassa-897	215	12	units	unit	NOUN
ijassa-897	215	13	are	be	AUX
ijassa-897	215	14	often	often	ADV
ijassa-897	215	15	several	several	ADJ
ijassa-897	215	16	times	time	NOUN
ijassa-897	215	17	longer	long	ADV
ijassa-897	215	18	and	and	CCONJ
ijassa-897	215	19	most	most	ADJ
ijassa-897	215	20	polymers	polymer	NOUN
ijassa-897	215	21	belong	belong	VERB
ijassa-897	215	22	to	to	ADP
ijassa-897	215	23	polyamidoimides	polyamidoimide	NOUN
ijassa-897	215	24	and	and	CCONJ
ijassa-897	215	25	polyimides	polyimide	NOUN
ijassa-897	215	26	,	,	PUNCT
ijassa-897	215	27	which	which	PRON
ijassa-897	215	28	are	be	AUX
ijassa-897	215	29	never	never	ADV
ijassa-897	215	30	met	meet	VERB
ijassa-897	215	31	in	in	ADP
ijassa-897	215	32	cluster	cluster	NOUN
ijassa-897	215	33	6	6	NUM
ijassa-897	215	34	.	.	PUNCT
ijassa-897	215	35	classifying	classify	VERB
ijassa-897	215	36	amorphous	amorphous	ADJ
ijassa-897	215	37	polymers	polymer	NOUN
ijassa-897	215	38	for	for	ADP
ijassa-897	215	39	membrane	membrane	NOUN
ijassa-897	215	40	technology	technology	NOUN
ijassa-897	215	41	…	…	PUNCT
ijassa-897	215	42	101	101	NUM
ijassa-897	215	43	copyright	copyright	NOUN
ijassa-897	215	44	©	©	PROPN
ijassa-897	215	45	2020	2020	NUM
ijassa-897	215	46	assa	assa	NOUN
ijassa-897	215	47	.	.	PUNCT
ijassa-897	216	1	adv	adv	PROPN
ijassa-897	216	2	.	.	PUNCT
ijassa-897	217	1	in	in	ADP
ijassa-897	217	2	systems	system	NOUN
ijassa-897	217	3	science	science	NOUN
ijassa-897	217	4	and	and	CCONJ
ijassa-897	217	5	appl	appl	NOUN
ijassa-897	217	6	.	.	PUNCT
ijassa-897	218	1	(	(	PUNCT
ijassa-897	218	2	2020	2020	NUM
ijassa-897	218	3	)	)	PUNCT
ijassa-897	218	4	fig	fig	NOUN
ijassa-897	218	5	.	.	PUNCT
ijassa-897	219	1	4.1	4.1	NUM
ijassa-897	219	2	.	.	PUNCT
ijassa-897	219	3	polymer	polymer	NOUN
ijassa-897	219	4	clusters	cluster	NOUN
ijassa-897	219	5	on	on	ADP
ijassa-897	219	6	the	the	DET
ijassa-897	219	7	robeson	robeson	PROPN
ijassa-897	219	8	chart	chart	NOUN
ijassa-897	219	9	for	for	ADP
ijassa-897	219	10	permeability	permeability	NOUN
ijassa-897	219	11	.	.	PUNCT
ijassa-897	220	1	the	the	DET
ijassa-897	220	2	center	center	NOUN
ijassa-897	220	3	of	of	ADP
ijassa-897	220	4	the	the	DET
ijassa-897	220	5	whole	whole	ADJ
ijassa-897	220	6	data	datum	NOUN
ijassa-897	220	7	sample	sample	NOUN
ijassa-897	220	8	is	be	AUX
ijassa-897	220	9	depicted	depict	VERB
ijassa-897	220	10	with	with	ADP
ijassa-897	220	11	the	the	DET
ijassa-897	220	12	red	red	ADJ
ijassa-897	220	13	circle	circle	NOUN
ijassa-897	220	14	,	,	PUNCT
ijassa-897	220	15	while	while	SCONJ
ijassa-897	220	16	the	the	DET
ijassa-897	220	17	center	center	NOUN
ijassa-897	220	18	of	of	ADP
ijassa-897	220	19	the	the	DET
ijassa-897	220	20	cluster	cluster	NOUN
ijassa-897	220	21	is	be	AUX
ijassa-897	220	22	depicted	depict	VERB
ijassa-897	220	23	with	with	ADP
ijassa-897	220	24	the	the	DET
ijassa-897	220	25	green	green	ADJ
ijassa-897	220	26	triangle	triangle	NOUN
ijassa-897	220	27	102	102	NUM
ijassa-897	220	28	o.	o.	NOUN
ijassa-897	220	29	miloserdov	miloserdov	PROPN
ijassa-897	221	1	copyright	copyright	NOUN
ijassa-897	221	2	©	©	PROPN
ijassa-897	221	3	2020	2020	NUM
ijassa-897	221	4	assa	assa	NOUN
ijassa-897	221	5	.	.	PUNCT
ijassa-897	222	1	adv	adv	PROPN
ijassa-897	222	2	.	.	PUNCT
ijassa-897	223	1	in	in	ADP
ijassa-897	223	2	systems	system	NOUN
ijassa-897	223	3	science	science	NOUN
ijassa-897	223	4	and	and	CCONJ
ijassa-897	223	5	appl	appl	NOUN
ijassa-897	223	6	.	.	PUNCT
ijassa-897	224	1	(	(	PUNCT
ijassa-897	224	2	2020	2020	NUM
ijassa-897	224	3	)	)	PUNCT
ijassa-897	224	4	fig	fig	NOUN
ijassa-897	224	5	.	.	PUNCT
ijassa-897	225	1	4.2	4.2	NUM
ijassa-897	225	2	.	.	PUNCT
ijassa-897	225	3	polymer	polymer	NOUN
ijassa-897	225	4	clusters	cluster	NOUN
ijassa-897	225	5	on	on	ADP
ijassa-897	225	6	the	the	DET
ijassa-897	225	7	robeson	robeson	PROPN
ijassa-897	225	8	chart	chart	PROPN
ijassa-897	225	9	for	for	ADP
ijassa-897	225	10	diffusion	diffusion	NOUN
ijassa-897	225	11	.	.	PUNCT
ijassa-897	226	1	the	the	DET
ijassa-897	226	2	center	center	NOUN
ijassa-897	226	3	of	of	ADP
ijassa-897	226	4	the	the	DET
ijassa-897	226	5	whole	whole	ADJ
ijassa-897	226	6	data	datum	NOUN
ijassa-897	226	7	sample	sample	NOUN
ijassa-897	226	8	is	be	AUX
ijassa-897	226	9	depicted	depict	VERB
ijassa-897	226	10	with	with	ADP
ijassa-897	226	11	the	the	DET
ijassa-897	226	12	red	red	ADJ
ijassa-897	226	13	circle	circle	NOUN
ijassa-897	226	14	,	,	PUNCT
ijassa-897	226	15	while	while	SCONJ
ijassa-897	226	16	the	the	DET
ijassa-897	226	17	center	center	NOUN
ijassa-897	226	18	of	of	ADP
ijassa-897	226	19	the	the	DET
ijassa-897	226	20	cluster	cluster	NOUN
ijassa-897	226	21	is	be	AUX
ijassa-897	226	22	depicted	depict	VERB
ijassa-897	226	23	with	with	ADP
ijassa-897	226	24	the	the	DET
ijassa-897	226	25	green	green	ADJ
ijassa-897	226	26	triangle	triangle	NOUN
ijassa-897	226	27	classifying	classify	VERB
ijassa-897	226	28	amorphous	amorphous	ADJ
ijassa-897	226	29	polymers	polymer	NOUN
ijassa-897	226	30	for	for	ADP
ijassa-897	226	31	membrane	membrane	NOUN
ijassa-897	226	32	technology	technology	NOUN
ijassa-897	226	33	…	…	PUNCT
ijassa-897	226	34	103	103	NUM
ijassa-897	226	35	copyright	copyright	NOUN
ijassa-897	226	36	©	©	PROPN
ijassa-897	226	37	2020	2020	NUM
ijassa-897	226	38	assa	assa	NOUN
ijassa-897	226	39	.	.	PUNCT
ijassa-897	227	1	adv	adv	PROPN
ijassa-897	227	2	.	.	PUNCT
ijassa-897	228	1	in	in	ADP
ijassa-897	228	2	systems	system	NOUN
ijassa-897	228	3	science	science	NOUN
ijassa-897	228	4	and	and	CCONJ
ijassa-897	228	5	appl	appl	NOUN
ijassa-897	228	6	.	.	PUNCT
ijassa-897	229	1	(	(	PUNCT
ijassa-897	229	2	2020	2020	NUM
ijassa-897	229	3	)	)	PUNCT
ijassa-897	229	4	the	the	DET
ijassa-897	229	5	above	above	ADJ
ijassa-897	229	6	analysis	analysis	NOUN
ijassa-897	229	7	reveals	reveal	VERB
ijassa-897	229	8	the	the	DET
ijassa-897	229	9	deep	deep	ADJ
ijassa-897	229	10	relation	relation	NOUN
ijassa-897	229	11	between	between	ADP
ijassa-897	229	12	the	the	DET
ijassa-897	229	13	transport	transport	NOUN
ijassa-897	229	14	properties	property	NOUN
ijassa-897	229	15	of	of	ADP
ijassa-897	229	16	polymers	polymer	NOUN
ijassa-897	229	17	and	and	CCONJ
ijassa-897	229	18	the	the	DET
ijassa-897	229	19	shape	shape	NOUN
ijassa-897	229	20	and	and	CCONJ
ijassa-897	229	21	geometry	geometry	NOUN
ijassa-897	229	22	of	of	ADP
ijassa-897	229	23	conformations	conformation	NOUN
ijassa-897	229	24	of	of	ADP
ijassa-897	229	25	their	their	PRON
ijassa-897	229	26	macromolecules	macromolecule	NOUN
ijassa-897	229	27	.	.	PUNCT
ijassa-897	230	1	the	the	DET
ijassa-897	230	2	resulting	result	VERB
ijassa-897	230	3	clustering	clustering	NOUN
ijassa-897	230	4	allows	allow	VERB
ijassa-897	230	5	one	one	PRON
ijassa-897	230	6	to	to	PART
ijassa-897	230	7	identify	identify	VERB
ijassa-897	230	8	the	the	DET
ijassa-897	230	9	signs	sign	NOUN
ijassa-897	230	10	and	and	CCONJ
ijassa-897	230	11	characteristics	characteristic	NOUN
ijassa-897	230	12	of	of	ADP
ijassa-897	230	13	polymer	polymer	NOUN
ijassa-897	230	14	molecules	molecule	NOUN
ijassa-897	230	15	with	with	ADP
ijassa-897	230	16	various	various	ADJ
ijassa-897	230	17	extreme	extreme	ADJ
ijassa-897	230	18	properties	property	NOUN
ijassa-897	230	19	,	,	PUNCT
ijassa-897	230	20	which	which	PRON
ijassa-897	230	21	will	will	AUX
ijassa-897	230	22	undoubtedly	undoubtedly	ADV
ijassa-897	230	23	be	be	AUX
ijassa-897	230	24	useful	useful	ADJ
ijassa-897	230	25	in	in	ADP
ijassa-897	230	26	the	the	DET
ijassa-897	230	27	search	search	NOUN
ijassa-897	230	28	and	and	CCONJ
ijassa-897	230	29	synthesis	synthesis	NOUN
ijassa-897	230	30	of	of	ADP
ijassa-897	230	31	new	new	ADJ
ijassa-897	230	32	promising	promising	ADJ
ijassa-897	230	33	polymers	polymer	NOUN
ijassa-897	230	34	.	.	PUNCT
ijassa-897	231	1	5	5	X
ijassa-897	231	2	.	.	X
ijassa-897	231	3	conclusion	conclusion	NOUN
ijassa-897	231	4	based	base	VERB
ijassa-897	231	5	on	on	ADP
ijassa-897	231	6	a	a	DET
ijassa-897	231	7	large	large	ADJ
ijassa-897	231	8	sample	sample	NOUN
ijassa-897	231	9	consisting	consist	VERB
ijassa-897	231	10	of	of	ADP
ijassa-897	231	11	almost	almost	ADV
ijassa-897	231	12	400	400	NUM
ijassa-897	231	13	amorphous	amorphous	ADJ
ijassa-897	231	14	polymers	polymer	NOUN
ijassa-897	231	15	from	from	ADP
ijassa-897	231	16	16	16	NUM
ijassa-897	231	17	different	different	ADJ
ijassa-897	231	18	chemical	chemical	NOUN
ijassa-897	231	19	classes	class	NOUN
ijassa-897	231	20	used	use	VERB
ijassa-897	231	21	in	in	ADP
ijassa-897	231	22	membrane	membrane	NOUN
ijassa-897	231	23	gas	gas	NOUN
ijassa-897	231	24	separation	separation	NOUN
ijassa-897	231	25	,	,	PUNCT
ijassa-897	231	26	clustering	clustering	NOUN
ijassa-897	231	27	was	be	AUX
ijassa-897	231	28	constructed	construct	VERB
ijassa-897	231	29	only	only	ADV
ijassa-897	231	30	on	on	ADP
ijassa-897	231	31	the	the	DET
ijassa-897	231	32	basis	basis	NOUN
ijassa-897	231	33	of	of	ADP
ijassa-897	231	34	data	datum	NOUN
ijassa-897	231	35	on	on	ADP
ijassa-897	231	36	the	the	DET
ijassa-897	231	37	shape	shape	NOUN
ijassa-897	231	38	and	and	CCONJ
ijassa-897	231	39	geometry	geometry	NOUN
ijassa-897	231	40	of	of	ADP
ijassa-897	231	41	the	the	DET
ijassa-897	231	42	conformations	conformation	NOUN
ijassa-897	231	43	of	of	ADP
ijassa-897	231	44	polymer	polymer	NOUN
ijassa-897	231	45	molecules	molecule	NOUN
ijassa-897	231	46	.	.	PUNCT
ijassa-897	232	1	obtained	obtain	VERB
ijassa-897	232	2	15	15	NUM
ijassa-897	232	3	clusters	cluster	NOUN
ijassa-897	232	4	are	be	AUX
ijassa-897	232	5	closely	closely	ADV
ijassa-897	232	6	related	relate	VERB
ijassa-897	232	7	to	to	AUX
ijassa-897	232	8	transport	transport	VERB
ijassa-897	232	9	parameters	parameter	NOUN
ijassa-897	232	10	important	important	ADJ
ijassa-897	232	11	for	for	ADP
ijassa-897	232	12	membrane	membrane	NOUN
ijassa-897	232	13	gas	gas	NOUN
ijassa-897	232	14	separation	separation	NOUN
ijassa-897	232	15	,	,	PUNCT
ijassa-897	232	16	such	such	ADJ
ijassa-897	232	17	as	as	ADP
ijassa-897	232	18	permeability	permeability	NOUN
ijassa-897	232	19	coefficient	coefficient	NOUN
ijassa-897	232	20	p	p	NOUN
ijassa-897	232	21	and	and	CCONJ
ijassa-897	232	22	diffusion	diffusion	NOUN
ijassa-897	232	23	coefficient	coefficient	PROPN
ijassa-897	232	24	d.	d.	PROPN
ijassa-897	232	25	the	the	DET
ijassa-897	232	26	method	method	NOUN
ijassa-897	232	27	proposed	propose	VERB
ijassa-897	232	28	consists	consist	NOUN
ijassa-897	232	29	of	of	ADP
ijassa-897	232	30	several	several	ADJ
ijassa-897	232	31	steps	step	NOUN
ijassa-897	232	32	.	.	PUNCT
ijassa-897	233	1	at	at	ADP
ijassa-897	233	2	the	the	DET
ijassa-897	233	3	beginning	beginning	NOUN
ijassa-897	233	4	,	,	PUNCT
ijassa-897	233	5	10	10	NUM
ijassa-897	233	6	realistic	realistic	ADJ
ijassa-897	233	7	conformations	conformation	NOUN
ijassa-897	233	8	of	of	ADP
ijassa-897	233	9	polymer	polymer	NOUN
ijassa-897	233	10	macromolecules	macromolecule	NOUN
ijassa-897	233	11	are	be	AUX
ijassa-897	233	12	constructed	construct	VERB
ijassa-897	233	13	.	.	PUNCT
ijassa-897	234	1	for	for	ADP
ijassa-897	234	2	these	these	DET
ijassa-897	234	3	purposes	purpose	NOUN
ijassa-897	234	4	,	,	PUNCT
ijassa-897	234	5	a	a	DET
ijassa-897	234	6	program	program	NOUN
ijassa-897	234	7	code	code	NOUN
ijassa-897	234	8	is	be	AUX
ijassa-897	234	9	written	write	VERB
ijassa-897	234	10	in	in	ADP
ijassa-897	234	11	the	the	DET
ijassa-897	234	12	rdkit	rdkit	ADJ
ijassa-897	234	13	environment	environment	NOUN
ijassa-897	234	14	for	for	ADP
ijassa-897	234	15	python	python	NOUN
ijassa-897	234	16	.	.	PUNCT
ijassa-897	235	1	it	it	PRON
ijassa-897	235	2	satisfies	satisfy	VERB
ijassa-897	235	3	all	all	DET
ijassa-897	235	4	the	the	DET
ijassa-897	235	5	requirements	requirement	NOUN
ijassa-897	235	6	listed	list	VERB
ijassa-897	235	7	in	in	ADP
ijassa-897	235	8	chapter	chapter	NOUN
ijassa-897	235	9	2	2	NUM
ijassa-897	235	10	:	:	PUNCT
ijassa-897	235	11	the	the	DET
ijassa-897	235	12	realism	realism	NOUN
ijassa-897	235	13	and	and	CCONJ
ijassa-897	235	14	reproducibility	reproducibility	NOUN
ijassa-897	235	15	of	of	ADP
ijassa-897	235	16	the	the	DET
ijassa-897	235	17	resulting	result	VERB
ijassa-897	235	18	structures	structure	NOUN
ijassa-897	235	19	,	,	PUNCT
ijassa-897	235	20	fast	fast	ADJ
ijassa-897	235	21	automated	automate	VERB
ijassa-897	235	22	calculation	calculation	NOUN
ijassa-897	235	23	,	,	PUNCT
ijassa-897	235	24	the	the	DET
ijassa-897	235	25	possibility	possibility	NOUN
ijassa-897	235	26	of	of	ADP
ijassa-897	235	27	parallelization	parallelization	NOUN
ijassa-897	235	28	,	,	PUNCT
ijassa-897	235	29	and	and	CCONJ
ijassa-897	235	30	free	free	ADJ
ijassa-897	235	31	distribution	distribution	NOUN
ijassa-897	235	32	of	of	ADP
ijassa-897	235	33	software	software	NOUN
ijassa-897	235	34	.	.	PUNCT
ijassa-897	236	1	then	then	ADV
ijassa-897	236	2	,	,	PUNCT
ijassa-897	236	3	the	the	DET
ijassa-897	236	4	dependencies	dependency	NOUN
ijassa-897	236	5	were	be	AUX
ijassa-897	236	6	calculated	calculate	VERB
ijassa-897	236	7	of	of	ADP
ijassa-897	236	8	8	8	NUM
ijassa-897	236	9	accessible	accessible	ADJ
ijassa-897	236	10	-	-	PUNCT
ijassa-897	236	11	surface	surface	NOUN
ijassa-897	236	12	-	-	PUNCT
ijassa-897	236	13	area	area	NOUN
ijassa-897	236	14	-	-	PUNCT
ijassa-897	236	15	based	base	VERB
ijassa-897	236	16	indices	index	NOUN
ijassa-897	236	17	(	(	PUNCT
ijassa-897	236	18	see	see	VERB
ijassa-897	236	19	table	table	NOUN
ijassa-897	236	20	2.1	2.1	NUM
ijassa-897	236	21	)	)	PUNCT
ijassa-897	236	22	on	on	ADP
ijassa-897	236	23	the	the	DET
ijassa-897	236	24	radius	radius	NOUN
ijassa-897	236	25	of	of	ADP
ijassa-897	236	26	a	a	DET
ijassa-897	236	27	spherical	spherical	ADJ
ijassa-897	236	28	probe	probe	NOUN
ijassa-897	236	29	that	that	PRON
ijassa-897	236	30	represents	represent	VERB
ijassa-897	236	31	the	the	DET
ijassa-897	236	32	variety	variety	NOUN
ijassa-897	236	33	of	of	ADP
ijassa-897	236	34	penetrant	penetrant	NOUN
ijassa-897	236	35	gases	gas	NOUN
ijassa-897	236	36	.	.	PUNCT
ijassa-897	237	1	an	an	DET
ijassa-897	237	2	improved	improved	ADJ
ijassa-897	237	3	algorithm	algorithm	NOUN
ijassa-897	237	4	for	for	ADP
ijassa-897	237	5	calculating	calculate	VERB
ijassa-897	237	6	indices	index	NOUN
ijassa-897	237	7	eliminates	eliminate	VERB
ijassa-897	237	8	the	the	DET
ijassa-897	237	9	influence	influence	NOUN
ijassa-897	237	10	of	of	ADP
ijassa-897	237	11	the	the	DET
ijassa-897	237	12	outer	outer	ADJ
ijassa-897	237	13	shell	shell	NOUN
ijassa-897	237	14	of	of	ADP
ijassa-897	237	15	the	the	DET
ijassa-897	237	16	macromolecule	macromolecule	NOUN
ijassa-897	237	17	,	,	PUNCT
ijassa-897	237	18	which	which	PRON
ijassa-897	237	19	allows	allow	VERB
ijassa-897	237	20	focusing	focus	VERB
ijassa-897	237	21	on	on	ADP
ijassa-897	237	22	the	the	DET
ijassa-897	237	23	processes	process	NOUN
ijassa-897	237	24	occurring	occur	VERB
ijassa-897	237	25	inside	inside	ADP
ijassa-897	237	26	the	the	DET
ijassa-897	237	27	polymer	polymer	NOUN
ijassa-897	237	28	membrane	membrane	NOUN
ijassa-897	237	29	.	.	PUNCT
ijassa-897	238	1	the	the	PRON
ijassa-897	238	2	obtained	obtain	VERB
ijassa-897	238	3	8	8	NUM
ijassa-897	238	4	curves	curve	NOUN
ijassa-897	238	5	are	be	AUX
ijassa-897	238	6	averaged	average	VERB
ijassa-897	238	7	between	between	ADP
ijassa-897	238	8	ten	ten	NUM
ijassa-897	238	9	polymer	polymer	NOUN
ijassa-897	238	10	conformations	conformation	NOUN
ijassa-897	238	11	to	to	PART
ijassa-897	238	12	obtain	obtain	VERB
ijassa-897	238	13	more	more	ADV
ijassa-897	238	14	robust	robust	ADJ
ijassa-897	238	15	figures	figure	NOUN
ijassa-897	238	16	.	.	PUNCT
ijassa-897	239	1	then	then	ADV
ijassa-897	239	2	,	,	PUNCT
ijassa-897	239	3	these	these	DET
ijassa-897	239	4	dependences	dependence	NOUN
ijassa-897	239	5	characterizing	characterize	VERB
ijassa-897	239	6	the	the	DET
ijassa-897	239	7	polymer	polymer	NOUN
ijassa-897	239	8	are	be	AUX
ijassa-897	239	9	used	use	VERB
ijassa-897	239	10	as	as	ADP
ijassa-897	239	11	predictors	predictor	NOUN
ijassa-897	239	12	for	for	ADP
ijassa-897	239	13	the	the	DET
ijassa-897	239	14	agglomerative	agglomerative	ADJ
ijassa-897	239	15	clustering	clustering	NOUN
ijassa-897	239	16	method	method	NOUN
ijassa-897	239	17	.	.	PUNCT
ijassa-897	240	1	the	the	DET
ijassa-897	240	2	plans	plan	NOUN
ijassa-897	240	3	for	for	ADP
ijassa-897	240	4	further	further	ADJ
ijassa-897	240	5	research	research	NOUN
ijassa-897	240	6	include	include	VERB
ijassa-897	240	7	constructing	construct	VERB
ijassa-897	240	8	separate	separate	ADJ
ijassa-897	240	9	regressions	regression	NOUN
ijassa-897	240	10	for	for	ADP
ijassa-897	240	11	the	the	DET
ijassa-897	240	12	resulting	result	VERB
ijassa-897	240	13	clusters	cluster	NOUN
ijassa-897	240	14	in	in	SCONJ
ijassa-897	240	15	order	order	NOUN
ijassa-897	240	16	to	to	PART
ijassa-897	240	17	more	more	ADV
ijassa-897	240	18	accurately	accurately	ADV
ijassa-897	240	19	predict	predict	VERB
ijassa-897	240	20	transport	transport	NOUN
ijassa-897	240	21	properties	property	NOUN
ijassa-897	240	22	(	(	PUNCT
ijassa-897	240	23	p	p	X
ijassa-897	240	24	,	,	PUNCT
ijassa-897	240	25	d	d	NOUN
ijassa-897	240	26	,	,	PUNCT
ijassa-897	240	27	and	and	CCONJ
ijassa-897	240	28	s	s	VERB
ijassa-897	240	29	coefficients	coefficient	NOUN
ijassa-897	240	30	)	)	PUNCT
ijassa-897	240	31	.	.	PUNCT
ijassa-897	241	1	the	the	DET
ijassa-897	241	2	methods	method	NOUN
ijassa-897	241	3	developed	develop	VERB
ijassa-897	241	4	allow	allow	VERB
ijassa-897	241	5	us	we	PRON
ijassa-897	241	6	to	to	PART
ijassa-897	241	7	approach	approach	VERB
ijassa-897	241	8	the	the	DET
ijassa-897	241	9	solution	solution	NOUN
ijassa-897	241	10	of	of	ADP
ijassa-897	241	11	the	the	DET
ijassa-897	241	12	problem	problem	NOUN
ijassa-897	241	13	of	of	ADP
ijassa-897	241	14	obtaining	obtain	VERB
ijassa-897	241	15	substances	substance	NOUN
ijassa-897	241	16	with	with	ADP
ijassa-897	241	17	predetermined	predetermine	VERB
ijassa-897	241	18	properties	property	NOUN
ijassa-897	241	19	.	.	PUNCT
ijassa-897	242	1	for	for	ADP
ijassa-897	242	2	example	example	NOUN
ijassa-897	242	3	,	,	PUNCT
ijassa-897	242	4	the	the	DET
ijassa-897	242	5	prediction	prediction	NOUN
ijassa-897	242	6	of	of	ADP
ijassa-897	242	7	transport	transport	NOUN
ijassa-897	242	8	parameters	parameter	NOUN
ijassa-897	242	9	for	for	ADP
ijassa-897	242	10	a	a	DET
ijassa-897	242	11	collection	collection	NOUN
ijassa-897	242	12	of	of	ADP
ijassa-897	242	13	hypothetic	hypothetic	ADJ
ijassa-897	242	14	polymers	polymer	NOUN
ijassa-897	242	15	,	,	PUNCT
ijassa-897	242	16	followed	follow	VERB
ijassa-897	242	17	by	by	ADP
ijassa-897	242	18	the	the	DET
ijassa-897	242	19	manual	manual	ADJ
ijassa-897	242	20	selection	selection	NOUN
ijassa-897	242	21	of	of	ADP
ijassa-897	242	22	several	several	ADJ
ijassa-897	242	23	most	most	ADV
ijassa-897	242	24	promising	promising	ADJ
ijassa-897	242	25	polymers	polymer	NOUN
ijassa-897	242	26	,	,	PUNCT
ijassa-897	242	27	could	could	AUX
ijassa-897	242	28	guide	guide	VERB
ijassa-897	242	29	the	the	DET
ijassa-897	242	30	synthesis	synthesis	NOUN
ijassa-897	242	31	experiments	experiment	NOUN
ijassa-897	242	32	of	of	ADP
ijassa-897	242	33	novel	novel	ADJ
ijassa-897	242	34	polymers	polymer	NOUN
ijassa-897	242	35	.	.	PUNCT
ijassa-897	243	1	acknowledgements	acknowledgement	NOUN
ijassa-897	243	2	the	the	DET
ijassa-897	243	3	reported	report	VERB
ijassa-897	243	4	study	study	NOUN
ijassa-897	243	5	was	be	AUX
ijassa-897	243	6	funded	fund	VERB
ijassa-897	243	7	by	by	ADP
ijassa-897	243	8	rfbr	rfbr	NOUN
ijassa-897	243	9	according	accord	VERB
ijassa-897	243	10	to	to	ADP
ijassa-897	243	11	research	research	NOUN
ijassa-897	243	12	projects	project	NOUN
ijassa-897	243	13	18	18	NUM
ijassa-897	243	14	-	-	SYM
ijassa-897	243	15	37	37	NUM
ijassa-897	243	16	-	-	PUNCT
ijassa-897	243	17	00265	00265	NUM
ijassa-897	243	18	and	and	CCONJ
ijassa-897	243	19	1937	1937	NUM
ijassa-897	243	20	-	-	SYM
ijassa-897	243	21	90004	90004	NUM
ijassa-897	243	22	.	.	PUNCT
ijassa-897	244	1	references	reference	NOUN
ijassa-897	244	2	1	1	NUM
ijassa-897	244	3	.	.	PUNCT
ijassa-897	244	4	agglomerative	agglomerative	ADJ
ijassa-897	244	5	clustering	clustering	NOUN
ijassa-897	244	6	.	.	PUNCT
ijassa-897	245	1	recursively	recursively	ADV
ijassa-897	245	2	merges	merge	VERB
ijassa-897	245	3	the	the	DET
ijassa-897	245	4	pair	pair	NOUN
ijassa-897	245	5	of	of	ADP
ijassa-897	245	6	clusters	cluster	NOUN
ijassa-897	245	7	that	that	PRON
ijassa-897	245	8	minimally	minimally	ADV
ijassa-897	245	9	increases	increase	VERB
ijassa-897	245	10	a	a	DET
ijassa-897	245	11	given	give	VERB
ijassa-897	245	12	linkage	linkage	NOUN
ijassa-897	245	13	distance	distance	NOUN
ijassa-897	245	14	[	[	X
ijassa-897	245	15	online	online	X
ijassa-897	245	16	]	]	X
ijassa-897	245	17	.	.	PUNCT
ijassa-897	246	1	available	available	ADJ
ijassa-897	246	2	https://scikitlearn.org/stable/modules/generated/sklearn.cluster.agglomerativeclustering.html	https://scikitlearn.org/stable/modules/generated/sklearn.cluster.agglomerativeclustering.html	PROPN
ijassa-897	246	3	2	2	NUM
ijassa-897	246	4	.	.	PUNCT
ijassa-897	246	5	alent'ev	alent'ev	PROPN
ijassa-897	246	6	a.ju	a.ju	PROPN
ijassa-897	246	7	.	.	PUNCT
ijassa-897	247	1	(	(	PUNCT
ijassa-897	247	2	2003	2003	NUM
ijassa-897	247	3	)	)	PUNCT
ijassa-897	247	4	prognozirovanie	prognozirovanie	PROPN
ijassa-897	247	5	transportnyh	transportnyh	PROPN
ijassa-897	247	6	svojstv	svojstv	PROPN
ijassa-897	247	7	stekloobraznyh	stekloobraznyh	NOUN
ijassa-897	247	8	polimerov	polimerov	PROPN
ijassa-897	247	9	:	:	PUNCT
ijassa-897	247	10	rol	rol	PROPN
ijassa-897	247	11	'	'	PUNCT
ijassa-897	247	12	himicheskoj	himicheskoj	NOUN
ijassa-897	247	13	struktury	struktury	NOUN
ijassa-897	247	14	i	i	PRON
ijassa-897	247	15	svobodnogo	svobodnogo	VERB
ijassa-897	247	16	ob'ema	ob'ema	PRON
ijassa-897	247	17	.	.	PUNCT
ijassa-897	248	1	doctor	doctor	NOUN
ijassa-897	248	2	of	of	ADP
ijassa-897	248	3	science	science	NOUN
ijassa-897	248	4	thesis	thesis	NOUN
ijassa-897	248	5	,	,	PUNCT
ijassa-897	248	6	moscow	moscow	PROPN
ijassa-897	249	1	[	[	X
ijassa-897	249	2	in	in	ADP
ijassa-897	249	3	russian	russian	PROPN
ijassa-897	249	4	]	]	PUNCT
ijassa-897	249	5	.	.	PUNCT
ijassa-897	250	1	3	3	X
ijassa-897	250	2	.	.	X
ijassa-897	250	3	anderson	anderson	PROPN
ijassa-897	250	4	j.	j.	PROPN
ijassa-897	250	5	a.	a.	PROPN
ijassa-897	250	6	,	,	PUNCT
ijassa-897	250	7	lorenz	lorenz	PROPN
ijassa-897	250	8	c.	c.	PROPN
ijassa-897	250	9	d.	d.	PROPN
ijassa-897	250	10	,	,	PUNCT
ijassa-897	250	11	travesset	travesset	NOUN
ijassa-897	250	12	a.	a.	NOUN
ijassa-897	250	13	(	(	PUNCT
ijassa-897	250	14	2008	2008	NUM
ijassa-897	250	15	)	)	PUNCT
ijassa-897	250	16	general	general	ADJ
ijassa-897	250	17	purpose	purpose	NOUN
ijassa-897	250	18	molecular	molecular	ADJ
ijassa-897	250	19	dynamics	dynamic	NOUN
ijassa-897	250	20	simulations	simulation	NOUN
ijassa-897	250	21	fully	fully	ADV
ijassa-897	250	22	implemented	implement	VERB
ijassa-897	250	23	on	on	ADP
ijassa-897	250	24	graphics	graphic	NOUN
ijassa-897	250	25	processing	processing	NOUN
ijassa-897	250	26	units	unit	NOUN
ijassa-897	250	27	,	,	PUNCT
ijassa-897	250	28	journal	journal	NOUN
ijassa-897	250	29	of	of	ADP
ijassa-897	250	30	computational	computational	ADJ
ijassa-897	250	31	physics	physic	NOUN
ijassa-897	250	32	,	,	PUNCT
ijassa-897	250	33	227(10	227(10	NUM
ijassa-897	250	34	)	)	PUNCT
ijassa-897	250	35	,	,	PUNCT
ijassa-897	250	36	5342	5342	NUM
ijassa-897	250	37	-	-	SYM
ijassa-897	250	38	5359	5359	NUM
ijassa-897	250	39	.	.	PUNCT
ijassa-897	251	1	4	4	X
ijassa-897	251	2	.	.	X
ijassa-897	251	3	chemaxon	chemaxon	NOUN
ijassa-897	251	4	.	.	PUNCT
ijassa-897	252	1	software	software	NOUN
ijassa-897	252	2	solutions	solution	NOUN
ijassa-897	252	3	and	and	CCONJ
ijassa-897	252	4	services	service	NOUN
ijassa-897	252	5	for	for	ADP
ijassa-897	252	6	chemistry	chemistry	NOUN
ijassa-897	252	7	&	&	CCONJ
ijassa-897	252	8	biology	biology	NOUN
ijassa-897	252	9	[	[	X
ijassa-897	252	10	online	online	X
ijassa-897	252	11	]	]	X
ijassa-897	252	12	.	.	PUNCT
ijassa-897	253	1	available	available	ADJ
ijassa-897	253	2	https://www.chemaxon.com	https://www.chemaxon.com	X
ijassa-897	254	1	5	5	X
ijassa-897	254	2	.	.	X
ijassa-897	254	3	chemoffice	chemoffice	PROPN
ijassa-897	254	4	professional	professional	PROPN
ijassa-897	254	5	.	.	PUNCT
ijassa-897	255	1	chemical	chemical	NOUN
ijassa-897	255	2	communications	communication	NOUN
ijassa-897	255	3	software	software	NOUN
ijassa-897	256	1	[	[	X
ijassa-897	256	2	online	online	X
ijassa-897	256	3	]	]	X
ijassa-897	256	4	.	.	PUNCT
ijassa-897	257	1	available	available	ADJ
ijassa-897	257	2	http://www.perkinelmer.com/product/chemoffice-professional-chemofficepro	http://www.perkinelmer.com/product/chemoffice-professional-chemofficepro	PROPN
ijassa-897	257	3	6	6	NUM
ijassa-897	257	4	.	.	PUNCT
ijassa-897	257	5	conformer	conformer	PROPN
ijassa-897	257	6	plugin	plugin	PROPN
ijassa-897	257	7	.	.	PUNCT
ijassa-897	258	1	walk	walk	VERB
ijassa-897	258	2	-	-	PUNCT
ijassa-897	258	3	through	through	ADP
ijassa-897	258	4	manual	manual	NOUN
ijassa-897	258	5	on	on	ADP
ijassa-897	258	6	how	how	SCONJ
ijassa-897	258	7	to	to	PART
ijassa-897	258	8	use	use	VERB
ijassa-897	258	9	the	the	DET
ijassa-897	258	10	conformer	conformer	NOUN
ijassa-897	258	11	plugin	plugin	NOUN
ijassa-897	258	12	[	[	X
ijassa-897	258	13	online	online	X
ijassa-897	258	14	]	]	X
ijassa-897	258	15	.	.	PUNCT
ijassa-897	259	1	available	available	ADJ
ijassa-897	259	2	https://docs.chemaxon.com/display/docs/conformer+plugin	https://docs.chemaxon.com/display/docs/conformer+plugin	NOUN
ijassa-897	259	3	104	104	NUM
ijassa-897	259	4	o.	o.	PROPN
ijassa-897	259	5	miloserdov	miloserdov	PROPN
ijassa-897	260	1	copyright	copyright	NOUN
ijassa-897	260	2	©	©	PROPN
ijassa-897	260	3	2020	2020	NUM
ijassa-897	260	4	assa	assa	NOUN
ijassa-897	260	5	.	.	PUNCT
ijassa-897	261	1	adv	adv	PROPN
ijassa-897	261	2	.	.	PUNCT
ijassa-897	262	1	in	in	ADP
ijassa-897	262	2	systems	system	NOUN
ijassa-897	262	3	science	science	NOUN
ijassa-897	262	4	and	and	CCONJ
ijassa-897	262	5	appl	appl	NOUN
ijassa-897	262	6	.	.	PUNCT
ijassa-897	263	1	(	(	PUNCT
ijassa-897	263	2	2020	2020	NUM
ijassa-897	263	3	)	)	PUNCT
ijassa-897	263	4	7	7	NUM
ijassa-897	263	5	.	.	PUNCT
ijassa-897	263	6	eastman	eastman	PROPN
ijassa-897	263	7	p.	p.	PROPN
ijassa-897	263	8	,	,	PUNCT
ijassa-897	263	9	et	et	PROPN
ijassa-897	263	10	al	al	PROPN
ijassa-897	263	11	.	.	PROPN
ijassa-897	264	1	(	(	PUNCT
ijassa-897	264	2	2017	2017	NUM
ijassa-897	264	3	)	)	PUNCT
ijassa-897	264	4	openmm	openmm	VERB
ijassa-897	264	5	7	7	NUM
ijassa-897	264	6	:	:	PUNCT
ijassa-897	265	1	rapid	rapid	ADJ
ijassa-897	265	2	development	development	NOUN
ijassa-897	265	3	of	of	ADP
ijassa-897	265	4	high	high	ADJ
ijassa-897	265	5	performance	performance	NOUN
ijassa-897	265	6	algorithms	algorithm	NOUN
ijassa-897	265	7	for	for	ADP
ijassa-897	265	8	molecular	molecular	ADJ
ijassa-897	265	9	dynamics	dynamic	NOUN
ijassa-897	265	10	,	,	PUNCT
ijassa-897	265	11	plos	plos	PROPN
ijassa-897	265	12	comp	comp	PROPN
ijassa-897	265	13	.	.	PUNCT
ijassa-897	266	1	biol	biol	PROPN
ijassa-897	266	2	,	,	PUNCT
ijassa-897	266	3	13(7	13(7	NUM
ijassa-897	266	4	)	)	PUNCT
ijassa-897	266	5	,	,	PUNCT
ijassa-897	266	6	e1005659	e1005659	PROPN
ijassa-897	266	7	.	.	NOUN
ijassa-897	266	8	8	8	NUM
ijassa-897	266	9	.	.	X
ijassa-897	267	1	fried	fry	VERB
ijassa-897	267	2	,	,	PUNCT
ijassa-897	267	3	j.	j.	PROPN
ijassa-897	267	4	(	(	PUNCT
ijassa-897	267	5	2006	2006	NUM
ijassa-897	267	6	)	)	PUNCT
ijassa-897	267	7	materials	material	NOUN
ijassa-897	267	8	science	science	NOUN
ijassa-897	267	9	of	of	ADP
ijassa-897	267	10	membranes	membrane	NOUN
ijassa-897	267	11	for	for	ADP
ijassa-897	267	12	gas	gas	NOUN
ijassa-897	267	13	and	and	CCONJ
ijassa-897	267	14	vapor	vapor	NOUN
ijassa-897	267	15	separation	separation	NOUN
ijassa-897	267	16	,	,	PUNCT
ijassa-897	267	17	ed	ed	NOUN
ijassa-897	267	18	.	.	PUNCT
ijassa-897	268	1	by	by	ADP
ijassa-897	268	2	yu	yu	PROPN
ijassa-897	268	3	.	.	PUNCT
ijassa-897	268	4	yampolskii	yampolskii	PROPN
ijassa-897	268	5	,	,	PUNCT
ijassa-897	268	6	i.	i.	PROPN
ijassa-897	268	7	pinnau	pinnau	PROPN
ijassa-897	268	8	,	,	PUNCT
ijassa-897	268	9	b.d	b.d	PROPN
ijassa-897	268	10	.	.	PROPN
ijassa-897	268	11	freeman	freeman	PROPN
ijassa-897	268	12	,	,	PUNCT
ijassa-897	268	13	wiley	wiley	PROPN
ijassa-897	268	14	,	,	PUNCT
ijassa-897	268	15	chichester	chichester	PROPN
ijassa-897	268	16	,	,	PUNCT
ijassa-897	268	17	p.	p.	NOUN
ijassa-897	268	18	95	95	NUM
ijassa-897	268	19	.	.	PUNCT
ijassa-897	269	1	9	9	NUM
ijassa-897	269	2	.	.	PUNCT
ijassa-897	269	3	glaser	glaser	PROPN
ijassa-897	269	4	j.	j.	PROPN
ijassa-897	269	5	,	,	PUNCT
ijassa-897	269	6	et.al	et.al	PROPN
ijassa-897	269	7	.	.	PUNCT
ijassa-897	270	1	(	(	PUNCT
ijassa-897	270	2	2015	2015	NUM
ijassa-897	270	3	)	)	PUNCT
ijassa-897	270	4	strong	strong	ADJ
ijassa-897	270	5	scaling	scaling	NOUN
ijassa-897	270	6	of	of	ADP
ijassa-897	270	7	general	general	ADJ
ijassa-897	270	8	-	-	PUNCT
ijassa-897	270	9	purpose	purpose	NOUN
ijassa-897	270	10	molecular	molecular	ADJ
ijassa-897	270	11	dynamics	dynamic	NOUN
ijassa-897	270	12	simulations	simulation	NOUN
ijassa-897	270	13	on	on	ADP
ijassa-897	270	14	gpus	gpu	NOUN
ijassa-897	270	15	,	,	PUNCT
ijassa-897	270	16	computer	computer	NOUN
ijassa-897	270	17	physics	physics	NOUN
ijassa-897	270	18	communications	communication	NOUN
ijassa-897	270	19	,	,	PUNCT
ijassa-897	270	20	192	192	NUM
ijassa-897	270	21	,	,	PUNCT
ijassa-897	270	22	97	97	NUM
ijassa-897	270	23	-	-	SYM
ijassa-897	270	24	107	107	NUM
ijassa-897	270	25	,	,	PUNCT
ijassa-897	270	26	https://doi.org/10.1016/j.cpc.2015.02.028	https://doi.org/10.1016/j.cpc.2015.02.028	PROPN
ijassa-897	270	27	10	10	NUM
ijassa-897	270	28	.	.	PUNCT
ijassa-897	270	29	goubko	goubko	NOUN
ijassa-897	270	30	m.	m.	NOUN
ijassa-897	270	31	,	,	PUNCT
ijassa-897	270	32	miloserdov	miloserdov	PROPN
ijassa-897	270	33	o.	o.	PROPN
ijassa-897	270	34	,	,	PUNCT
ijassa-897	270	35	yampolskii	yampolskii	PROPN
ijassa-897	270	36	yu	yu	PROPN
ijassa-897	270	37	.	.	PROPN
ijassa-897	270	38	,	,	PUNCT
ijassa-897	270	39	alentiev	alentiev	ADP
ijassa-897	270	40	a.	a.	NOUN
ijassa-897	270	41	,	,	PUNCT
ijassa-897	270	42	ryzhikh	ryzhikh	PROPN
ijassa-897	270	43	v.	v.	PROPN
ijassa-897	270	44	(	(	PUNCT
ijassa-897	270	45	2019	2019	NUM
ijassa-897	270	46	)	)	PUNCT
ijassa-897	270	47	prediction	prediction	NOUN
ijassa-897	270	48	of	of	ADP
ijassa-897	270	49	solubility	solubility	NOUN
ijassa-897	270	50	parameters	parameter	NOUN
ijassa-897	270	51	of	of	ADP
ijassa-897	270	52	light	light	ADJ
ijassa-897	270	53	gases	gas	NOUN
ijassa-897	270	54	in	in	ADP
ijassa-897	270	55	glassy	glassy	NOUN
ijassa-897	270	56	polymers	polymer	NOUN
ijassa-897	270	57	on	on	ADP
ijassa-897	270	58	the	the	DET
ijassa-897	270	59	basis	basis	NOUN
ijassa-897	270	60	of	of	ADP
ijassa-897	270	61	simulation	simulation	NOUN
ijassa-897	270	62	of	of	ADP
ijassa-897	270	63	a	a	DET
ijassa-897	270	64	short	short	ADJ
ijassa-897	270	65	segment	segment	NOUN
ijassa-897	270	66	of	of	ADP
ijassa-897	270	67	a	a	DET
ijassa-897	270	68	polymer	polymer	NOUN
ijassa-897	270	69	chain	chain	NOUN
ijassa-897	270	70	,	,	PUNCT
ijassa-897	270	71	polymer	polymer	NOUN
ijassa-897	270	72	science	science	NOUN
ijassa-897	270	73	,	,	PUNCT
ijassa-897	270	74	61(5	61(5	NUM
ijassa-897	270	75	)	)	PUNCT
ijassa-897	270	76	,	,	PUNCT
ijassa-897	270	77	718	718	NUM
ijassa-897	270	78	–	–	PUNCT
ijassa-897	270	79	732	732	NUM
ijassa-897	270	80	.	.	X
ijassa-897	270	81	11	11	NUM
ijassa-897	270	82	.	.	X
ijassa-897	270	83	goubko	goubko	NOUN
ijassa-897	270	84	m.	m.	NOUN
ijassa-897	270	85	,	,	PUNCT
ijassa-897	270	86	miloserdov	miloserdov	PROPN
ijassa-897	270	87	o.	o.	PROPN
ijassa-897	270	88	,	,	PUNCT
ijassa-897	270	89	yampolskii	yampolskii	PROPN
ijassa-897	270	90	yu	yu	PROPN
ijassa-897	270	91	.	.	PROPN
ijassa-897	270	92	,	,	PUNCT
ijassa-897	270	93	alentiev	alentiev	ADP
ijassa-897	270	94	a.	a.	NOUN
ijassa-897	270	95	,	,	PUNCT
ijassa-897	270	96	ryzhikh	ryzhikh	PROPN
ijassa-897	270	97	v.	v.	PROPN
ijassa-897	270	98	(	(	PUNCT
ijassa-897	270	99	2016	2016	NUM
ijassa-897	270	100	)	)	PUNCT
ijassa-897	270	101	a	a	DET
ijassa-897	270	102	novel	novel	ADJ
ijassa-897	270	103	model	model	NOUN
ijassa-897	270	104	to	to	PART
ijassa-897	270	105	predict	predict	VERB
ijassa-897	270	106	infinite	infinite	ADJ
ijassa-897	270	107	dilution	dilution	NOUN
ijassa-897	270	108	solubility	solubility	NOUN
ijassa-897	270	109	coefficients	coefficient	NOUN
ijassa-897	270	110	in	in	ADP
ijassa-897	270	111	glassy	glassy	NOUN
ijassa-897	270	112	polymers	polymer	NOUN
ijassa-897	270	113	,	,	PUNCT
ijassa-897	270	114	journal	journal	NOUN
ijassa-897	270	115	of	of	ADP
ijassa-897	270	116	polymer	polymer	NOUN
ijassa-897	270	117	science	science	NOUN
ijassa-897	270	118	part	part	NOUN
ijassa-897	270	119	b	b	NOUN
ijassa-897	270	120	:	:	PUNCT
ijassa-897	270	121	polymer	polymer	NOUN
ijassa-897	270	122	physics	physics	NOUN
ijassa-897	270	123	,	,	PUNCT
ijassa-897	270	124	55(3	55(3	NUM
ijassa-897	270	125	)	)	PUNCT
ijassa-897	270	126	,	,	PUNCT
ijassa-897	270	127	228	228	NUM
ijassa-897	270	128	-	-	SYM
ijassa-897	270	129	244	244	NUM
ijassa-897	270	130	.	.	PUNCT
ijassa-897	271	1	12	12	NUM
ijassa-897	271	2	.	.	PUNCT
ijassa-897	271	3	lammps	lammps	PROPN
ijassa-897	271	4	.	.	PUNCT
ijassa-897	272	1	molecular	molecular	ADJ
ijassa-897	272	2	dynamics	dynamic	NOUN
ijassa-897	272	3	simulator	simulator	NOUN
ijassa-897	273	1	[	[	X
ijassa-897	273	2	online	online	X
ijassa-897	273	3	]	]	X
ijassa-897	273	4	.	.	PUNCT
ijassa-897	274	1	available	available	ADJ
ijassa-897	274	2	https://lammps.sandia.gov/	https://lammps.sandia.gov/	ADJ
ijassa-897	274	3	13	13	NUM
ijassa-897	274	4	.	.	PUNCT
ijassa-897	275	1	norman	norman	PROPN
ijassa-897	275	2	,	,	PUNCT
ijassa-897	275	3	g.e	g.e	PROPN
ijassa-897	275	4	.	.	PROPN
ijassa-897	275	5	;	;	PUNCT
ijassa-897	275	6	filinov	filinov	PROPN
ijassa-897	275	7	,	,	PUNCT
ijassa-897	275	8	v.s.	v.s.	X
ijassa-897	275	9	(	(	PUNCT
ijassa-897	275	10	1969	1969	NUM
ijassa-897	275	11	)	)	PUNCT
ijassa-897	275	12	high	high	ADJ
ijassa-897	275	13	temp	temp	NOUN
ijassa-897	275	14	,	,	PUNCT
ijassa-897	275	15	7	7	NUM
ijassa-897	275	16	,	,	PUNCT
ijassa-897	275	17	216	216	NUM
ijassa-897	275	18	.	.	PUNCT
ijassa-897	275	19	14	14	NUM
ijassa-897	275	20	.	.	PUNCT
ijassa-897	276	1	rappe	rappe	PROPN
ijassa-897	276	2	a.	a.	PROPN
ijassa-897	276	3	k.	k.	PROPN
ijassa-897	276	4	et.al	et.al	PROPN
ijassa-897	276	5	.	.	PUNCT
ijassa-897	277	1	(	(	PUNCT
ijassa-897	277	2	1992	1992	NUM
ijassa-897	277	3	)	)	PUNCT
ijassa-897	277	4	uff	uff	PROPN
ijassa-897	277	5	,	,	PUNCT
ijassa-897	277	6	a	a	DET
ijassa-897	277	7	full	full	ADJ
ijassa-897	277	8	periodic	periodic	ADJ
ijassa-897	277	9	table	table	NOUN
ijassa-897	277	10	force	force	NOUN
ijassa-897	277	11	field	field	NOUN
ijassa-897	277	12	for	for	ADP
ijassa-897	277	13	molecular	molecular	ADJ
ijassa-897	277	14	mechanics	mechanic	NOUN
ijassa-897	277	15	and	and	CCONJ
ijassa-897	277	16	molecular	molecular	ADJ
ijassa-897	277	17	dynamics	dynamic	NOUN
ijassa-897	277	18	simulations	simulation	NOUN
ijassa-897	277	19	,	,	PUNCT
ijassa-897	277	20	journal	journal	NOUN
ijassa-897	277	21	of	of	ADP
ijassa-897	277	22	the	the	DET
ijassa-897	277	23	american	american	PROPN
ijassa-897	277	24	chemical	chemical	PROPN
ijassa-897	277	25	society	society	PROPN
ijassa-897	277	26	,	,	PUNCT
ijassa-897	277	27	114	114	NUM
ijassa-897	277	28	(	(	PUNCT
ijassa-897	277	29	25	25	NUM
ijassa-897	277	30	)	)	PUNCT
ijassa-897	277	31	,	,	PUNCT
ijassa-897	277	32	10024	10024	NUM
ijassa-897	277	33	-	-	SYM
ijassa-897	277	34	10035	10035	NUM
ijassa-897	277	35	.	.	PUNCT
ijassa-897	278	1	15	15	NUM
ijassa-897	278	2	.	.	PUNCT
ijassa-897	279	1	rddistgeom	rddistgeom	NOUN
ijassa-897	279	2	module	module	NOUN
ijassa-897	279	3	.	.	PUNCT
ijassa-897	280	1	module	module	NOUN
ijassa-897	280	2	containing	contain	VERB
ijassa-897	280	3	functions	function	NOUN
ijassa-897	280	4	to	to	PART
ijassa-897	280	5	compute	compute	VERB
ijassa-897	280	6	atomic	atomic	ADJ
ijassa-897	280	7	coordinates	coordinate	NOUN
ijassa-897	280	8	in	in	ADP
ijassa-897	280	9	3d	3d	NOUN
ijassa-897	280	10	using	use	VERB
ijassa-897	280	11	distance	distance	NOUN
ijassa-897	280	12	geometry	geometry	NOUN
ijassa-897	280	13	[	[	X
ijassa-897	280	14	online	online	X
ijassa-897	280	15	]	]	X
ijassa-897	280	16	.	.	PUNCT
ijassa-897	281	1	available	available	ADJ
ijassa-897	281	2	https://www.rdkit.org/docs/source/rdkit.chem.rddistgeom.html	https://www.rdkit.org/docs/source/rdkit.chem.rddistgeom.html	ADP
ijassa-897	281	3	16	16	NUM
ijassa-897	281	4	.	.	PUNCT
ijassa-897	282	1	rdkit	rdkit	PROPN
ijassa-897	282	2	.	.	PUNCT
ijassa-897	283	1	open	open	ADJ
ijassa-897	283	2	-	-	PUNCT
ijassa-897	283	3	source	source	NOUN
ijassa-897	283	4	cheminformatics	cheminformatic	NOUN
ijassa-897	283	5	software	software	NOUN
ijassa-897	283	6	[	[	X
ijassa-897	283	7	online	online	X
ijassa-897	283	8	]	]	X
ijassa-897	283	9	.	.	PUNCT
ijassa-897	284	1	available	available	ADJ
ijassa-897	284	2	http://www.rdkit.org	http://www.rdkit.org	PROPN
ijassa-897	284	3	17	17	NUM
ijassa-897	284	4	.	.	PUNCT
ijassa-897	285	1	robeson	robeson	PROPN
ijassa-897	285	2	l.m	l.m	PROPN
ijassa-897	285	3	.	.	PROPN
ijassa-897	285	4	et	et	PROPN
ijassa-897	285	5	.	.	PUNCT
ijassa-897	286	1	al	al	PROPN
ijassa-897	286	2	.	.	PROPN
ijassa-897	286	3	membr	membr	PROPN
ijassa-897	286	4	.	.	PUNCT
ijassa-897	287	1	sci	sci	PROPN
ijassa-897	287	2	.	.	PROPN
ijassa-897	287	3	,	,	PUNCT
ijassa-897	287	4	1997	1997	NUM
ijassa-897	287	5	,	,	PUNCT
ijassa-897	287	6	132	132	NUM
ijassa-897	287	7	,	,	PUNCT
ijassa-897	287	8	33	33	NUM
ijassa-897	287	9	.	.	NOUN
ijassa-897	287	10	18	18	NUM
ijassa-897	287	11	.	.	PUNCT
ijassa-897	288	1	robeson	robeson	PROPN
ijassa-897	288	2	,	,	PUNCT
ijassa-897	288	3	l.m	l.m	PROPN
ijassa-897	288	4	.	.	PROPN
ijassa-897	288	5	(	(	PUNCT
ijassa-897	288	6	1991	1991	NUM
ijassa-897	288	7	)	)	PUNCT
ijassa-897	288	8	correlation	correlation	NOUN
ijassa-897	288	9	of	of	ADP
ijassa-897	288	10	separation	separation	NOUN
ijassa-897	288	11	fac	fac	PROPN
ijassa-897	288	12	-	-	PUNCT
ijassa-897	288	13	tor	tor	NOUN
ijassa-897	288	14	versus	versus	ADP
ijassa-897	288	15	permeability	permeability	NOUN
ijassa-897	288	16	for	for	ADP
ijassa-897	288	17	polymeric	polymeric	ADJ
ijassa-897	288	18	membranes	membrane	NOUN
ijassa-897	288	19	,	,	PUNCT
ijassa-897	288	20	journal	journal	NOUN
ijassa-897	288	21	of	of	ADP
ijassa-897	288	22	membrane	membrane	NOUN
ijassa-897	288	23	science	science	NOUN
ijassa-897	288	24	,	,	PUNCT
ijassa-897	288	25	62	62	NUM
ijassa-897	288	26	(	(	PUNCT
ijassa-897	288	27	165	165	NUM
ijassa-897	288	28	)	)	PUNCT
ijassa-897	288	29	,	,	PUNCT
ijassa-897	288	30	165–185	165–185	NUM
ijassa-897	288	31	.	.	PUNCT
ijassa-897	289	1	19	19	NUM
ijassa-897	289	2	.	.	X
ijassa-897	289	3	theodorou	theodorou	PROPN
ijassa-897	289	4	,	,	PUNCT
ijassa-897	289	5	d.	d.	PROPN
ijassa-897	289	6	(	(	PUNCT
ijassa-897	289	7	2006	2006	NUM
ijassa-897	289	8	)	)	PUNCT
ijassa-897	289	9	materials	material	NOUN
ijassa-897	289	10	science	science	NOUN
ijassa-897	289	11	of	of	ADP
ijassa-897	289	12	membranes	membrane	NOUN
ijassa-897	289	13	for	for	ADP
ijassa-897	289	14	gas	gas	NOUN
ijassa-897	289	15	and	and	CCONJ
ijassa-897	289	16	vapor	vapor	NOUN
ijassa-897	289	17	separation	separation	NOUN
ijassa-897	289	18	,	,	PUNCT
ijassa-897	289	19	ed	ed	NOUN
ijassa-897	289	20	.	.	PUNCT
ijassa-897	290	1	by	by	ADP
ijassa-897	290	2	yu	yu	PROPN
ijassa-897	290	3	.	.	PROPN
ijassa-897	290	4	yampol	yampol	NOUN
ijassa-897	290	5	-	-	PUNCT
ijassa-897	290	6	skii	skii	PROPN
ijassa-897	290	7	,	,	PUNCT
ijassa-897	290	8	i.	i.	PROPN
ijassa-897	290	9	pinnau	pinnau	PROPN
ijassa-897	290	10	,	,	PUNCT
ijassa-897	290	11	b.d	b.d	PROPN
ijassa-897	290	12	.	.	PROPN
ijassa-897	290	13	freeman	freeman	PROPN
ijassa-897	290	14	,	,	PUNCT
ijassa-897	290	15	wiley	wiley	PROPN
ijassa-897	290	16	,	,	PUNCT
ijassa-897	290	17	chichester	chichester	PROPN
ijassa-897	290	18	,	,	PUNCT
ijassa-897	290	19	p.	p.	NOUN
ijassa-897	290	20	49	49	NUM
ijassa-897	290	21	.	.	PUNCT
ijassa-897	291	1	20	20	NUM
ijassa-897	291	2	.	.	PUNCT
ijassa-897	291	3	tsne	tsne	NOUN
ijassa-897	291	4	.	.	PUNCT
ijassa-897	292	1	t	t	NOUN
ijassa-897	292	2	-	-	PUNCT
ijassa-897	292	3	distributed	distribute	VERB
ijassa-897	292	4	stochastic	stochastic	ADJ
ijassa-897	292	5	neighbor	neighbor	NOUN
ijassa-897	292	6	embedding	embed	VERB
ijassa-897	292	7	[	[	X
ijassa-897	292	8	online	online	X
ijassa-897	292	9	]	]	X
ijassa-897	292	10	.	.	PUNCT
ijassa-897	293	1	available	available	ADJ
ijassa-897	293	2	https://scikit-learn.org/stable/modules/generated/sklearn.manifold.tsne.html	https://scikit-learn.org/stable/modules/generated/sklearn.manifold.tsne.html	PROPN
ijassa-897	293	3	21	21	NUM
ijassa-897	293	4	.	.	PUNCT
ijassa-897	294	1	yampolskii	yampolskii	PROPN
ijassa-897	294	2	yu	yu	PROPN
ijassa-897	294	3	.	.	PROPN
ijassa-897	294	4	,	,	PUNCT
ijassa-897	294	5	shishatskii	shishatskii	ADJ
ijassa-897	294	6	s.	s.	PROPN
ijassa-897	294	7	,	,	PUNCT
ijassa-897	294	8	alentiev	alentiev	ADP
ijassa-897	294	9	a.	a.	NOUN
ijassa-897	294	10	,	,	PUNCT
ijassa-897	294	11	loza	loza	PROPN
ijassa-897	294	12	k.	k.	PROPN
ijassa-897	294	13	(	(	PUNCT
ijassa-897	294	14	1998	1998	NUM
ijassa-897	294	15	)	)	PUNCT
ijassa-897	294	16	,	,	PUNCT
ijassa-897	294	17	j.	j.	PROPN
ijassa-897	294	18	membr	membr	PROPN
ijassa-897	294	19	.	.	PUNCT
ijassa-897	295	1	sci	sci	PROPN
ijassa-897	295	2	.	.	PROPN
ijassa-897	295	3	148	148	NUM
ijassa-897	295	4	,	,	PUNCT
ijassa-897	295	5	59	59	NUM
ijassa-897	295	6	.	.	PUNCT