The comparative molecular surface analysis (COMSA) - A nongrid 3D QSAR method by a coupled neural network and PLS system: Predicting pKa values of benzoic and alkanoic acids

Journal of Chemical Information and Computer Sciences

Volumn 42, Issue 2, 2002, Pages 184-191

  Polański, Jarosław ^a   Gieleciak, Rafał ^a   Ba̧k, Andrzej ^a  

^a UNIVERSITY OF SILESIA   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

COMPARATIVE MOLECULAR SURFACE ANALYSIS (COMSA);

CARBOXYLIC ACIDS; DRUG PRODUCTS; NEURAL NETWORKS; NEUROLOGY; SURFACE CHEMISTRY; TOPOLOGY;

MOLECULAR DYNAMICS;

EID: 0036522888     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci010031t     Document Type: Article

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