QSAR modeling for quinoxaline derivatives using genetic algorithm and simulated annealing based feature selection

Current Medicinal Chemistry

Volumn 16, Issue 30, 2009, Pages 4032-4048

  Ghosh, P ^a   Bagchi, M C ^a  

^a INDIAN INSTITUTE OF CHEMICAL BIOLOGY   (India)

Author keywords

2D and 3D descriptors; Counter propagation artificial neural network (CP ANN); Genetic algorithm (GA); Partial least squares (PLS); Quantitative structure activity relationship (QSAR); Quinoxaline derivatives; Simulated annealing (SA)

Indexed keywords

QUINOXALINE DERIVATIVE; TUBERCULOSTATIC AGENT;

ANALYTIC METHOD; ARTICLE; ARTIFICIAL NEURAL NETWORK; BIOLOGICAL ACTIVITY; CONTROLLED STUDY; DRUG MECHANISM; DRUG STRUCTURE; ELECTRIC FIELD; ELECTRICITY; GENETIC ALGORITHM; GEOMETRY; INTERMETHOD COMPARISON; LUNG TUBERCULOSIS; METHODOLOGY; MOLECULAR MODEL; MYCOBACTERIUM TUBERCULOSIS; NONHUMAN; PARTIAL LEAST SQUARES REGRESSION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SEQUENCE ALIGNMENT; SIMULATED ANNEALING;

ALGORITHMS; DRUG DESIGN; HUMANS; MODELS, CHEMICAL; MODELS, GENETIC; MODELS, MOLECULAR; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; QUINOXALINES;

EID: 70450205031     PISSN: 09298673     EISSN: None     Source Type: Journal    
DOI: 10.2174/092986709789352303     Document Type: Article

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