The comparison of molecular surfaces by neural networks and its applications to quantitative structure activity studies

Quantitative Structure-Activity Relationships

Volumn 17, Issue 1, 1998, Pages 27-36

  Polański, Jarosław ^a   Gasteiger, Johann ^b   Wagener, Markus ^b   Sadowski, Jens ^b  

^a UNIVERSITY OF SILESIA   (Poland)

^b UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

Author keywords

Kohonen self organizing maps; Molecular electrostatic potential; Neural networks; Shape; Steric parameter; Sweetners

Indexed keywords

MOLECULES; SELF ORGANIZING MAPS;

ITS APPLICATIONS; KOHONEN SELF-ORGANIZING MAPS; MOLECULAR ELECTROSTATIC POTENTIALS; MOLECULAR SURFACES; NEURAL NETWORK APPLICATION; NEURAL-NETWORKS; QUANTITATIVE STRUCTURE ACTIVITY; SHAPE; STERIC PARAMETERS; SWEETNERS;

CONFORMAL MAPPING;

ANILINE DERIVATIVE; BUTANE; CARBOXYLIC ACID DERIVATIVE; CARBOXYLIC ACID ETHYL ESTER; CYANOANILINE; NITROANILINE; UNCLASSIFIED DRUG;

ARTICLE; ARTIFICIAL NEURAL NETWORK; ELECTRIC FIELD; HYDROPHOBICITY; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STEREOSPECIFICITY; SWEETNESS;

EID: 0343027776     PISSN: 09318771     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1521-3838(199801)17:01<27::AID-QSAR27>3.0.CO;2-A     Document Type: Article

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