Prediction of cytochrome P450 3A4, 2D6, and 2C9 inhibitors and substrates by using support vector machines

Journal of Chemical Information and Modeling

Volumn 45, Issue 4, 2005, Pages 982-992

  Yap, C W ^a   Chen, Y Z ^a,b  

^a NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

^b SHANGHAI CENTER FOR BIOINFORMATION TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; CYTOLOGY; DRUG PRODUCTS; HYDROLYSIS; METABOLITES; PROBABILITY; SUBSTRATES; TOXICITY; VECTORS;

DRUG METABOLISM; ENZYME INTERACTION; ION PAIRS; STATISTICAL LEARNING METHODS; SUPPORT VECTOR MACHINES (SVM);

ENZYME INHIBITION;

CYP2C9 PROTEIN, HUMAN; CYP3A4 PROTEIN, HUMAN; CYTOCHROME P450; CYTOCHROME P450 2D6; ENZYME INHIBITOR; UNSPECIFIC MONOOXYGENASE;

ALGORITHM; ARTICLE; ARTIFICIAL INTELLIGENCE; CHEMISTRY; COMPARATIVE STUDY; COMPUTER SIMULATION; DRUG ANTAGONISM; ENZYME SPECIFICITY; PREDICTION AND FORECASTING;

ALGORITHMS; ARTIFICIAL INTELLIGENCE; ARYL HYDROCARBON HYDROXYLASES; COMPUTER SIMULATION; CYTOCHROME P-450 CYP2D6; CYTOCHROME P-450 ENZYME SYSTEM; ENZYME INHIBITORS; PREDICTIVE VALUE OF TESTS; SUBSTRATE SPECIFICITY;

EID: 23844460948     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci0500536     Document Type: Article

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