Comparative molecular surface analysis (COMSA): A novel tool for molecular design

Computers and Chemistry

Volumn 24, Issue 5, 2000, Pages 615-625

  Polanski, J ^a   Walczak, B ^a  

^a UNIVERSITY OF SILESIA   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

CARBOXYLIC ACIDS; DRUG PRODUCTS; ELECTROSTATICS; LEAST SQUARES APPROXIMATIONS; NEURAL NETWORKS;

BENZOIC ACIDS; COMPARATIVE MOLECULAR SURFACE ANALYSIS (COMSA); PARTIAL LEAST SQUARE (PLS) ANALYSIS; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP (QSAR); SELF ORGANIZING MAPS; STERIC EFFECTS; STEROIDS;

MOLECULAR STRUCTURE;

BENZOIC ACID DERIVATIVE; SEX HORMONE BINDING GLOBULIN; STEROID; TRANSCORTIN;

ARTICLE; ARTIFICIAL NEURAL NETWORK; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; COMPUTER AIDED DESIGN; DRUG DESIGN; ELECTRICITY; REGRESSION ANALYSIS; STRUCTURE ACTIVITY RELATION; SURFACE PROPERTY;

BENZOIC ACIDS; COMPUTER-AIDED DESIGN; DRUG DESIGN; ELECTROSTATICS; LEAST-SQUARES ANALYSIS; MODELS, MOLECULAR; NEURAL NETWORKS (COMPUTER); SEX HORMONE-BINDING GLOBULIN; STEROIDS; STRUCTURE-ACTIVITY RELATIONSHIP; SURFACE PROPERTIES; TRANSCORTIN;

EID: 0033623964     PISSN: 00978485     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0097-8485(00)00064-4     Document Type: Article

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