Facet diagrams for quantum similarity data

Journal of Computer-Aided Molecular Design

Volumn 13, Issue 6, 1999, Pages 597-610

  Robert, David ^a   Gironés, Xavier ^a   Carbó Dorca, Ramon ^a  

^a UNIVERSITY OF GIRONA   (Spain)

Author keywords

Atomic Shell Approximation (ASA) density functions; Carbo index; Classical scaling; Cramer steroids; Facet theory; Quantitative structure activity relationships (QSAR); Quantum similarity; Toxicity

Indexed keywords

COMPUTATIONAL CHEMISTRY; MOLECULAR GRAPHICS;

ATOMIC SHELL; ATOMIC SHELL APPROXIMATION DENSITY FUNCTION; CARBO INDEX; CLASSICAL SCALING; CRAME STEROID; FACET THEORY; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; QUANTUM SIMILARITY; SIMILARITY MATRIX;

DENSITY FUNCTIONAL THEORY;

BENZENE; STEROID; TOLUENE; TRANSCORTIN; XYLENE;

ARTICLE; BINDING AFFINITY; CHEMICAL STRUCTURE; COMPUTER AIDED DESIGN; DENSITY; MOLECULAR MODEL; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTUM MECHANICS; THEORY; TOXICOLOGY;

EID: 0032721812     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1008039618288     Document Type: Article

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