Evolutionary computation and QSAR research

Current Computer-Aided Drug Design

Volumn 9, Issue 2, 2013, Pages 206-225

  Aguiar Pulido, Vanessa ^a   Gestal, Marcos ^a   Cruz Monteagudo, Maykel ^b,c   Rabuñal, Juan R ^a   Dorado, Julián ^a   Munteanu, Cristian R ^a  

^a UNIVERSITY OF A CORUÑA   (Spain)

^b UNIVERSITY OF PORTO   (Portugal)

^c CENTRAL UNIVERSITY OF LAS VILLAS   (Cuba)

Author keywords

Evolutionary computation; Feature extraction; Genetic algorithms; Genetic programming; Molecular descriptors; QSAR; Quantitative structure activity relationships; Variable selection

Indexed keywords

CALCULATIONS; CLUSTERING ALGORITHMS; COMPUTATIONAL CHEMISTRY; DATA MINING; FEATURE SELECTION; GENETIC PROGRAMMING; LEARNING SYSTEMS; LIBRARIES; MOLECULAR GRAPHICS; MOLECULES;

BIOLOGICAL PROPERTIES; COMPUTATION STRUCTURE; FEATURE SELECTION METHODS; FEATURES EXTRACTION; HIGH THROUGHPUT SCREENING; MOLECULAR DESCRIPTORS; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP MODELING; VARIABLES SELECTIONS;

GENETIC ALGORITHMS;

PENICILLIN DERIVATIVE;

ARTIFICIAL NEURAL NETWORK; CHEMICAL STRUCTURE; COMPUTER MODEL; COMPUTER PROGRAM; DISCRIMINANT ANALYSIS; EVOLUTIONARY ALGORITHM; EVOLUTIONARY COMPUTATION; GENE MUTATION; GENETIC ALGORITHM; HUMAN; MATHEMATICAL MODEL; PERCEPTRON; PRINCIPAL COMPONENT ANALYSIS; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REVIEW; SUPPORT VECTOR MACHINE; SURVIVAL; VALIDATION PROCESS;

EID: 84888061749     PISSN: 15734099     EISSN: 18756697     Source Type: Journal    
DOI: 10.2174/1573409911309020006     Document Type: Review

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