A neural network based classification scheme for cytotoxicity predictions:Validation on 30,000 compounds

Bioorganic and Medicinal Chemistry Letters

Volumn 16, Issue 4, 2006, Pages 1037-1039

  Molnár, László ^a   Keseru, György M ^a   Papp, Ákos ^b   Lorincz, Zsolt ^c,d   Ambrus, Géza ^c   Darvas, Ferenc ^b  

^a BUDAPEST UNIVERSITY OF TECHNOLOGY AND ECONOMICS   (Hungary)

^b ComGenex Inc ^*  (Hungary)

^c RecomGenex Ltd   (Hungary)

^d INSTITUTE OF ENZYMOLOGY   (Hungary)

Author keywords

Atomic7 descriptor set; Classification; Cytotoxicity; Human fibroblast cell line; Measurement; MRC 5; Neural network

Indexed keywords

CYTOTOXIC AGENT;

ARTICLE; ARTIFICIAL NEURAL NETWORK; CELL CULTURE; CYTOTOXICITY; DIPLOIDY; DRUG CLASSIFICATION; FETUS LUNG; FIBROBLAST; HIGH THROUGHPUT SCREENING; HUMAN; HUMAN CELL; IN VITRO STUDY; MATHEMATICAL ANALYSIS; VALIDATION PROCESS;

CELL LINE; CELL LINE, TUMOR; CELL SURVIVAL; FIBROBLASTS; HEPATOCYTES; HUMANS; NEURAL NETWORKS (COMPUTER); PHARMACEUTICAL PREPARATIONS; SOFTWARE VALIDATION; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 30344436363     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmcl.2005.10.079     Document Type: Article

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