Novel hierarchical classification and visualization method for multiobjective optimization of drug properties: application to structure-activity relationship analysis of cytochrome P450 metabolism

Journal of Chemical Information and Modeling

Volumn 48, Issue 2, 2008, Pages 364-369

  Yamashita, Fumiyoshi ^a   Hara, Hideto ^a   Ito, Takayuki ^b   Hashida, Mitsuru ^a  

^a KYOTO UNIVERSITY   (Japan)

^b OCHANOMIZU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

DATA MINING; HIERARCHICAL SYSTEMS; MULTIOBJECTIVE OPTIMIZATION; PROTEINS; VISUALIZATION;

HIERARCHICAL CLASSIFICATION TREE; MULTIDIMENSIONAL DATA;

DRUG INTERACTIONS;

CYP2C9 PROTEIN, HUMAN; CYTOCHROME P450; CYTOCHROME P450 2D6; CYTOCHROME P450 2E1; DRUG; UNSPECIFIC MONOOXYGENASE;

ARTICLE; CHEMISTRY; CLASSIFICATION; ENZYME SPECIFICITY; HUMAN; INFORMATION RETRIEVAL; METABOLISM; METHODOLOGY; QUANTITATIVE STRUCTURE ACTIVITY RELATION; TECHNIQUE;

ARYL HYDROCARBON HYDROXYLASES; CLASSIFICATION; CYTOCHROME P-450 CYP2D6; CYTOCHROME P-450 CYP2E1; CYTOCHROME P-450 ENZYME SYSTEM; HUMANS; INFORMATION STORAGE AND RETRIEVAL; METHODS; PHARMACEUTICAL PREPARATIONS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SUBSTRATE SPECIFICITY;

EID: 41549118616     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci700262y     Document Type: Article

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