A genetic algorithm for the automated generation of small organic molecules: Drug design using an evolutionary algorithm

Journal of Computer-Aided Molecular Design

Volumn 14, Issue 5, 2000, Pages 449-466

  Douguet, Dominique ^a   Thoreau, Etienne ^a   Grassy, Gérard ^b  

^a Galderma R and D   (France)

^b CENTRE DE BIOCHIMIE STRUCTURALE   (France)

Author keywords

Automated structure generation; Drug design; Genetic algorithm; Molecular modeling; QSAR; SMILES; Variable mapping

Indexed keywords

COMPUTATIONAL CHEMISTRY; ITERATIVE METHODS; MOLECULAR GRAPHICS; MOLECULES;

AUTOMATED GENERATION; AUTOMATED STRUCTURE GENERATION; DARWINIAN EVOLUTION; DRUG DESIGN; QSAR; RATIONAL DRUG DESIGNS; SMALL ORGANIC MOLECULES; SMILES; STRUCTURE GENERATION; VARIABLE MAPPING;

GENETIC ALGORITHMS;

BENZOIC ACID; BUTANE; ORGANIC COMPOUND; RETINOIC ACID; RETINOID DERIVATIVE; SALICYLIC ACID; TRIETHYLAMINE;

ALGORITHM; ARTICLE; AUTOMATION; CONTROLLED STUDY; CROSSING OVER; DRUG BINDING; DRUG COMBINATION; DRUG DESIGN; DRUG STRUCTURE; EVOLUTION; GENE MUTATION; GENETIC ANALYSIS; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SYNTHESIS;

EID: 0034085674     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1008108423895     Document Type: Article

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