The combination of principal component analysis, genetic algorithm and tabu search in 3d molecular similarity

Journal of Molecular Structure: THEOCHEM

Volumn 674, Issue 1-3, 2004, Pages 87-97

  Xian, Bi ^a   Li, Tonghua ^a   Sun, Gexiao ^a   Cao, Tongcheng ^a  

^a TONGJI UNIVERSITY   (China)

Author keywords

Genetic algorithm; Molecular similarity; Principal component analysis; Tabu search

Indexed keywords

BENZENE DERIVATIVE; DIPEPTIDYL CARBOXYPEPTIDASE INHIBITOR; INSECTICIDE; PROTEINASE INHIBITOR;

ALGORITHM; ARTICLE; CALCULATION; ELECTRICITY; LINEAR SYSTEM; MOLECULAR BIOLOGY; MOLECULE; PRINCIPAL COMPONENT ANALYSIS; PROBABILITY;

EID: 1942436709     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2003.11.029     Document Type: Article

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