Topological Distance Based 3D Descriptors for Use in QSAR and Diversity Analysis

Journal of Chemical Information and Computer Sciences

Volumn 44, Issue 1, 2004, Pages 200-209

  Klein, Christian T ^a,b   Kaiser, Dominik ^a   Ecker, Gerhard ^a  

^a UNIVERSITY OF VIENNA   (Austria)

^b BOEHRINGER INGELHEIM RCV GMBH AND CO KG   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONS; CORRELATION METHODS; DATA PROCESSING; ELECTRIC POTENTIAL; ELECTROSTATICS; MATHEMATICAL MODELS; MOLECULAR ORIENTATION; TOPOLOGY;

PRINCIPLE COMPONENT ANALYSIS (PCA); QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP (QSAR);

MOLECULAR PHYSICS;

EID: 1842690578     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci0256236     Document Type: Article

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