Comparative chemometric modeling of cytochrome 3A4 inhibitory activity of structurally diverse compounds using stepwise MLR, FA-MLR, PLS, GFA, G/PLS and ANN techniques

European Journal of Medicinal Chemistry

Volumn 44, Issue 7, 2009, Pages 2913-2922

  Roy, Kunal ^a   Pratim Roy, Partha ^a  

^a JADAVPUR UNIVERSITY   (India)

Author keywords

ANN; Cytochrome 3A4; FA MLR; GFA; PLS; QSAR

Indexed keywords

1 METHYLIMIDAZOLE; 3 HYDROXYPYRIDINE; BROMOCRIPTINE; CHLOROQUINE; CIMETIDINE; CLOTRIMAZOLE; CYTOCHROME P450 3A4; DIHYDROERGOTAMINE; DILTIAZEM; ECONAZOLE; ERYTHROMYCIN; FLUCONAZOLE; GLIPIZIDE; IMIDAZOLE DERIVATIVE; KETOCONAZOLE; METYRAPONE; MICONAZOLE; NIFEDIPINE; OMEPRAZOLE; PIROXICAM; PROPICONAZOLE; PYRIDINE DERIVATIVE; SULFAMETHIZOLE; TAZANOLAST; THIOPERAMIDE; TIMOPRAZOLE; TRIADIMEFON; TROLEANDOMYCIN; UNINDEXED DRUG; VERAPAMIL;

ARTICLE; ARTIFICIAL NEURAL NETWORK; BINDING AFFINITY; CHEMOMETRIC ANALYSIS; COMPUTER PROGRAM; ENZYME INHIBITION; GENETIC ALGORITHM; MULTIPLE REGRESSION; PARTIAL LEAST SQUARES REGRESSION; PARTITION COEFFICIENT; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATISTICAL MODEL; THERMODYNAMICS;

ALGORITHMS; CYTOCHROME P-450 CYP3A; ENZYME INHIBITORS; FACTOR ANALYSIS, STATISTICAL; LEAST-SQUARES ANALYSIS; LINEAR MODELS; MODELS, MOLECULAR; NEURAL NETWORKS (COMPUTER); QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REPRODUCIBILITY OF RESULTS;

EID: 67349117284     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2008.12.004     Document Type: Article

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