RS-predictor: A new tool for predicting sites of cytochrome P450-mediated metabolism applied to CYP 3A4

Journal of Chemical Information and Modeling

Volumn 51, Issue 7, 2011, Pages 1667-1689

  Zaretzki, Jed ^a   Bergeron, Charles ^b   Rydberg, Patrik ^c   Huang, Tao Wei ^a   Bennett, Kristin P ^b   Breneman, Curt M ^a  

^a RENSSELAER POLYTECHNIC INSTITUTE   (United States)

^b Research Rensselaer Polytechnic Institute   (United States)

^c UNIVERSITY OF COPENHAGEN   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

FORECASTING; METABOLISM; METABOLITES; QUANTUM CHEMISTRY; REGIOSELECTIVITY; SUBSTRATES;

METABOLIC REACTIONS; MULTIPLE INSTANCES; PREDICTION METHODS; PREDICTIVE MODELS; PROOF OF PRINCIPLES; QUANTUM CHEMICAL DESCRIPTORS; RANK AGGREGATION; SINGLE CONSENSUS;

PREDICTIVE ANALYTICS;

CYTOCHROME P450 3A; PARACETAMOL; WARFARIN;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; METABOLISM; STEREOISOMERISM;

ACETAMINOPHEN; BINDING SITES; CYTOCHROME P-450 CYP3A; MODELS, MOLECULAR; MOLECULAR STRUCTURE; STEREOISOMERISM; WARFARIN;

EID: 79960704005     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci2000488     Document Type: Article

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