Development of a new predictive model for interactions with human cytochrome P450 2A6 using pharmacophore ensemble/support vector machine (PhE/SVM) approach

Pharmaceutical Research

Volumn 26, Issue 4, 2009, Pages 987-1000

  Leong, Max K ^a   Chen, Yen Ming ^a   Chen, Hong Bin ^a   Chen, Po Hong ^a  

^a NATIONAL DONG HWA UNIVERSITY   (Taiwan)

Author keywords

CYP2A6; IC50; Pharmacophore ensemble; Plasticity; Support vector machine

Indexed keywords

7 METHYLCOUMARIN; AMINE; BENZENE DERIVATIVE; COUMARIN DERIVATIVE; CYTOCHROME P450 2A6; NAPHTHALENE DERIVATIVE; NEUROTRANSMITTER; UNCLASSIFIED DRUG;

ARTICLE; COMPLEX FORMATION; COMPUTER MODEL; CONTROLLED STUDY; CRYSTAL STRUCTURE; PHARMACOPHORE; PLASTICITY; PRIORITY JOURNAL; PROTEIN INTERACTION; SUPPORT VECTOR MACHINE; VALIDATION STUDY;

ARYL HYDROCARBON HYDROXYLASES; BINDING SITES; COMPUTER SIMULATION; COMPUTER-AIDED DESIGN; DRUG DESIGN; ENZYME INHIBITORS; HUMANS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTEIN CONFORMATION; REPRODUCIBILITY OF RESULTS; STRUCTURE-ACTIVITY RELATIONSHIP; SUBSTRATE SPECIFICITY;

EID: 61449219789     PISSN: 07248741     EISSN: 1573904X     Source Type: Journal    
DOI: 10.1007/s11095-008-9807-9     Document Type: Article

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