Development of a computational tool to rival experts in the prediction of sites of metabolism of xenobiotics by P450s

Journal of Chemical Information and Modeling

Volumn 52, Issue 9, 2012, Pages 2471-2483

  Campagna Slater, Valérie ^a,c   Pottel, Joshua ^a   Therrien, Eric ^a   Cantin, Louis David ^b   Moitessier, Nicolas ^a  

^a MCGILL UNIVERSITY   (Canada)

^b ASTRAZENECA   (United Kingdom)

^c NATIONAL RESEARCH COUNCIL CANADA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

BIOCHEMISTRY; COMPUTATIONAL METHODS; METABOLISM; METABOLITES; SUBSTRATES;

COMPUTATIONAL TOOLS; EXPERIMENTAL METHODS; METABOLIC ENZYMES; METABOLIC STABILITY; PREDICTIVE METHODS; PROCESS CONTROLLING; SUBSTRATE REACTIVITIES; TRANSITION STATE MODELING;

FORECASTING;

XENOBIOTIC AGENT;

ARTICLE; BIOLOGICAL MODEL; COMPUTER PROGRAM; ENZYME SPECIFICITY; HUMAN; METABOLISM;

HUMANS; MODELS, BIOLOGICAL; SOFTWARE; SUBSTRATE SPECIFICITY; XENOBIOTICS;

EID: 84866663451     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci3003073     Document Type: Article

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