Predicting drug metabolism: Experiment and/or computation?

Nature Reviews Drug Discovery

Volumn 14, Issue 6, 2015, Pages 387-404

  Kirchmair, Johannes ^a,b   Göller, Andreas H ^c   Lang, Dieter ^c   Kunze, Jens ^a   Testa, Bernard ^d   Wilson, Ian D ^e   Glen, Robert C ^e,f   Schneider, Gisbert ^a  

^a ETH ZURICH   (Switzerland)

^b UNIVERSITY OF HAMBURG   (Germany)

^c BAYER PHARMA AG   (Germany)

^d LAUSANNE UNIVERSITY HOSPITAL   (Switzerland)

^e IMPERIAL COLLEGE LONDON   (United Kingdom)

^f UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CYTOCHROME P450; DRUG METABOLITE; GLUCURONOSYLTRANSFERASE; DRUG;

ALGORITHM; ANALYTIC METHOD; BIOLOGY; COMPUTER PROGRAM; DRUG INTERACTION; DRUG METABOLISM; DRUG TOXICITY; DRUG TRANSFORMATION; ENZYME METABOLISM; ENZYME SUBSTRATE; EXPERIMENT; EXPERIMENTATION; HUMAN; LIQUID CHROMATOGRAPHY; MACHINE LEARNING; MASS SPECTROMETRY; MATHEMATICAL COMPUTING; NONHUMAN; PHYSICAL CHEMISTRY; PREDICTION; PRIORITY JOURNAL; PROTEIN STRUCTURE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REGRESSION ANALYSIS; REVIEW; STATISTICAL MODEL; ANIMAL; DRUG DESIGN; DRUG DEVELOPMENT; FORECASTING; METABOLISM; PROCEDURES; TRENDS;

ANIMALS; COMPUTATIONAL BIOLOGY; DRUG DESIGN; DRUG DISCOVERY; FORECASTING; HUMANS; PHARMACEUTICAL PREPARATIONS;

EID: 84930378039     PISSN: 14741776     EISSN: 14741784     Source Type: Journal    
DOI: 10.1038/nrd4581     Document Type: Review

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