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Volumn 12, Issue 9, 2015, Pages 3420-3432

Fast and General Method to Predict the Physicochemical Properties of Druglike Molecules Using the Integral Equation Theory of Molecular Liquids

Author keywords

ADME; ADMET; bioavailability; caco 2; drug discovery; druglike; hydration free energy; IET; integral equation theory of molecular liquids; permeability; QSAR; QSPR; Random Forest; reference interaction site model; RISM; solvation free energy; statistical mechanics

Indexed keywords

ADRENALIN; AMOXICILLIN; BOSENTAN; CEFTRIAXONE; COUMARIN; CYCLOSPORIN; DILTIAZEM; DRUG; DRUGLIKE MOLECULE; ENALAPRIL; FLEROXACIN; FUROSEMIDE; GUANABENZ; GUANOXAN; LIDOCAINE; MIBEFRADIL; NITRENDIPINE; PHENAZONE; PROSCILLARIDIN; REMIKIREN; SAQUINAVIR; SULPIRIDE; THEOPHYLLINE; TIACRILAST; UNCLASSIFIED DRUG; VERAPAMIL; SOLVENT; WATER;

EID: 84941352239     PISSN: 15438384     EISSN: 15438392     Source Type: Journal    
DOI: 10.1021/acs.molpharmaceut.5b00441     Document Type: Article
Times cited : (24)

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