PMC:7247521 / 9811-10597 JSON TXT 10 Projects

Annnotations TAB TSV DIC JSON TextAE

Id	Subject	Object	Predicate	Lexical cue
T63	0-55	Sentence	denotes	2.5 ADMET evaluation of the predicted active compounds
T64	56-289	Sentence	denotes	Based on the SwissADME database [21], the physicochemical properties of the active components was predicted, including molecular weight (MW), rotatable bonds count, H-bond acceptors and donors count, TPSA and leadlikeness violations.
T65	290-786	Sentence	denotes	Second, pharmacokinetic properties was predicted through pkCSM database [22], which contained the absorption (Caco-2 cell permeability, HIA and skin permeability), distribution (VDss, unbound fraction, blood-brain barrier and central nervous system permeability), excretion (total clearance and renal OCT2 substrate) and toxicity (AMES toxicity, maximum tolerated dose, hERG I inhibitor, hERG II inhibitor, oral rat acute toxicity (LD50), hepatotoxicity, skin sensitisation, and minnow toxicity).