Enhancement of binary QSAR analysis by a GA-based variable selection method

Journal of Molecular Graphics and Modelling

Volumn 20, Issue 4, 2002, Pages 259-268

  Gao, Hua ^a   Lajiness, Michael S ^a   Drie, John Van ^a  

^a Pharmacia ^*  (United States)

Author keywords

Binary QSAR; CA II inhibitors; Estrogen receptor; Genetic algorithm; MAO inhibitors; Variable selection

Indexed keywords

CHEMICAL BONDS; GENETIC ALGORITHMS; MOLECULAR STRUCTURE; PROBABILITY DISTRIBUTIONS;

HIGH THROUGPUT SCREENING;

MOLECULAR GRAPHICS;

CARBONATE DEHYDRATASE II; CARBONATE DEHYDRATASE INHIBITOR; ESTROGEN RECEPTOR; MONOAMINE OXIDASE INHIBITOR;

ALGORITHM; ANALYTIC METHOD; CHEMICAL INTERACTION; CONFERENCE PAPER; DATA ANALYSIS; DRUG ACTIVITY; DRUG STRUCTURE; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SCREENING;

ALGORITHMS; CARBONIC ANHYDRASE II; ESTROGENS; LIGANDS; MOLECULAR STRUCTURE; MONOAMINE OXIDASE INHIBITORS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTORS, ESTROGEN;

GYMNOMYZA SAMOENSIS;

EID: 0036136840     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1093-3263(01)00122-X     Document Type: Article

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