PMC:7755033 / 28164-28889 JSON TXT

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Id	Subject	Object	Predicate	Lexical cue	tao:has_database_id
476	127-129	Species	denotes	WS	Tax:126910
477	227-235	Chemical	denotes	hydrogen	MESH:D006859
478	248-256	Chemical	denotes	hydrogen	MESH:D006859
479	0-6	Disease	denotes	Osiris

Id	Subject	Object	Predicate	Lexical cue
T242	0-343	Sentence	denotes	Osiris Property Explorer 4.5.1 was used for defining and visualizing multivariate datasets of prospective drug candidates from WS and standard reference drugs through comparison of properties like TPSA, percent absorption, MW, hydrogen bond donor, hydrogen bond acceptor, number of rotatable bonds, Lipinski’s violations, leadlikeness and BAS.
T243	344-431	Sentence	denotes	PCA helps in reducing the dimensionality of the dataset and increases interpretability.
T244	432-523	Sentence	denotes	It does so by creating new uncorrelated variables which maximize the variance successively.
T245	524-725	Sentence	denotes	Another added advantage of PCA is a 3D visualization in chemical space of how ‘drug-like’ are the molecules under study to known standard drugs in terms of their proximity to them in 3D chemical space.