In silico categorization of in vivo intrinsic clearance using machine learning

Molecular Pharmaceutics

Volumn 10, Issue 4, 2013, Pages 1318-1321

  Hsiao, Ya Wen ^a   Fagerholm, Urban ^a   Norinder, Ulf ^a  

^a ASTRAZENECA R AND D   (Sweden)

Author keywords

hepatic CL; in vivo CLint; machine learning; OPLS; PCA; RF

Indexed keywords

ABSORPTION; ARTICLE; CLEARANCE; COMPUTER MODEL; CONTROLLED STUDY; DRUG ELIMINATION; IN VIVO STUDY; LIPOPHILICITY; LIVER METABOLISM; MACHINE LEARNING; METABOLIC CLEARANCE RATE; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; REGRESSION ANALYSIS;

ABSORPTION; ARTIFICIAL INTELLIGENCE; COMPUTER SIMULATION; DRUG DESIGN; HUMANS; LEAST-SQUARES ANALYSIS; MODELS, STATISTICAL; PRINCIPAL COMPONENT ANALYSIS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REGRESSION ANALYSIS; REPRODUCIBILITY OF RESULTS; SOFTWARE;

EID: 84875761618     PISSN: 15438384     EISSN: 15438392     Source Type: Journal    
DOI: 10.1021/mp300484r     Document Type: Article

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