Data mining and machine learning techniques for the identification of mutagenicity inducing substructures and structure activity relationships of noncongeneric compounds

Journal of Chemical Information and Computer Sciences

Volumn 44, Issue 4, 2004, Pages 1402-1411

  Helma, Christoph ^a   Cramer, Tobias ^a   Kramer, Stefan ^a,b   De Raedt, Luc ^a  

^a UNIVERSITY OF FREIBURG   (Germany)

^b TECHNICAL UNIVERSITY OF MUNICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; COMPOSITION; DATABASE SYSTEMS; DRUG PRODUCTS; LEARNING SYSTEMS; MOLECULAR STRUCTURE; PARAMETER ESTIMATION; VARIATIONAL TECHNIQUES;

NONCONGENERIC COMPOUNDS; OPTIMAL PARAMETERS; STRUCTURE ACTIVITY RELATIONSHIPS (SAR); SUPPORT VECTOR MACHINES;

DATA MINING;

MUTAGENIC AGENT;

ALGORITHM; ARTICLE; ARTIFICIAL INTELLIGENCE; CHEMISTRY; FACTUAL DATABASE; MUTAGEN TESTING; STATISTICS; STRUCTURE ACTIVITY RELATION;

ALGORITHMS; ARTIFICIAL INTELLIGENCE; DATABASES, FACTUAL; MUTAGENICITY TESTS; MUTAGENS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 4043167653     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci034254q     Document Type: Article

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