Quantitative and qualitative models for carcinogenicity prediction for non-congeneric chemicals using CP ANN method for regulatory uses

Molecular Diversity

Volumn 14, Issue 3, 2010, Pages 581-594

  Fjodorova, Natalja ^a   Vračko, Marjan ^a   Tušar, Marjan ^a   Jezierska, Aneta ^a,b   Novič, Marjana ^a   Kühne, Ralph ^c   Schüürmann, Gerrit ^c,d  

^a NATIONAL INSTITUTE OF CHEMISTRY   (Slovenia)

^b UNIVERSITY OF WROC AW   (Poland)

^c HELMHOLTZ CENTRE FOR ENVIRONMENTAL RESEARCH UFZ   (Germany)

^d TU BERGAKADEMIE FREIBERG   (Germany)

Author keywords

Counter propagation artificial neural network; In silico; Qualitative (categorical) models; Quantitative (continuous) models; Quantitative structure activity relationship; Rodent carcinogenicity; Tumorgenic dose TD50

Indexed keywords

ACCURACY; AREA UNDER THE CURVE; ARTICLE; ARTIFICIAL NEURAL NETWORK; CARCINOGENICITY; COMPUTER MODEL; CORRELATION COEFFICIENT; DOSE RESPONSE; FALSE POSITIVE RESULT; LD 50; PREDICTION; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; QUALITATIVE ANALYSIS; QUANTITATIVE ANALYSIS; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RECEIVER OPERATING CHARACTERISTIC; SCREENING; SENSITIVITY AND SPECIFICITY; TUMOR LOCALIZATION;

ANIMALS; CARCINOGENICITY TESTS; CARCINOGENS; DATABASES, FACTUAL; DRUG AND NARCOTIC CONTROL; HUMANS; NEURAL NETWORKS (COMPUTER); PRINCIPAL COMPONENT ANALYSIS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RATS; ROC CURVE;

EID: 78650176178     PISSN: 13811991     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11030-009-9190-4     Document Type: Article

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