FAst MEtabolizer (FAME): A rapid and accurate predictor of sites of metabolism in multiple species by endogenous enzymes

Journal of Chemical Information and Modeling

Volumn 53, Issue 11, 2013, Pages 2896-2907

  Kirchmair, Johannes ^a   Williamson, Mark J ^a   Afzal, Avid M ^a   Tyzack, Jonathan D ^a   Choy, Alison P K ^a   Howlett, Andrew ^a   Rydberg, Patrik ^b   Glen, Robert C ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b UNIVERSITY OF COPENHAGEN   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

DECISION TREES; ENZYMES; FORECASTING; INDICATORS (CHEMICAL); MOLECULES;

CHEMICAL DATA SET; CHEMICAL DESCRIPTORS; CHEMICAL SPACE; ENDOGENOUS ENZYME; GLOBAL MODELING; METABOLIC PROCESS; MULTIPLE SPECIES; PREDICTION RATE;

METABOLISM;

CYTOCHROME P450; DIAZEPAM;

ALGORITHM; ANIMAL; ARTICLE; ARTIFICIAL INTELLIGENCE; CHEMICAL MODEL; CHEMISTRY; COMPUTER PROGRAM; DOG; DRUG DETOXIFICATION; ENZYMOLOGY; EUKARYOTIC CELL; HUMAN; METABOLISM; QUANTUM THEORY; RAT;

ALGORITHMS; ANIMALS; ARTIFICIAL INTELLIGENCE; CYTOCHROME P-450 ENZYME SYSTEM; DIAZEPAM; DOGS; EUKARYOTIC CELLS; HUMANS; METABOLIC DETOXICATION, DRUG; METABOLIC NETWORKS AND PATHWAYS; MODELS, CHEMICAL; QUANTUM THEORY; RATS; SOFTWARE;

EID: 84888589061     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci400503s     Document Type: Article

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