Metabolism site prediction based on xenobiotic structural formulas and PASS prediction algorithm

Journal of Chemical Information and Modeling

Volumn 54, Issue 2, 2014, Pages 498-507

  Rudik, Anastasia V ^a   Dmitriev, Alexander V ^a   Lagunin, Alexey A ^a   Filimonov, Dmitry A ^a   Poroikov, Vladimir V ^a  

^a INSTITUTE OF BIOMEDICAL CHEMISTRY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

BIOCHEMISTRY; METABOLISM; STATISTICAL METHODS;

CYTOCHROME P450; DESCRIPTORS; ISOFORMS; LEAVE-ONE-OUT CROSS VALIDATIONS; PREDICTION ALGORITHMS; PREDICTION-BASED; STRUCTURAL FORMULA;

FORECASTING;

CARDIOVASCULAR AGENT; CYTOCHROME P450; XENOBIOTIC AGENT;

ALGORITHM; ARTICLE; BINDING SITE; BIOLOGY; METABOLISM; METHODOLOGY;

ALGORITHMS; BINDING SITES; CARDIOVASCULAR AGENTS; COMPUTATIONAL BIOLOGY; CYTOCHROME P-450 ENZYME SYSTEM; XENOBIOTICS;

EID: 84894642647     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci400472j     Document Type: Article

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