Prediction of the rodent carcinogenicity of organic compounds from their chemical structures using the FALS method
Autor: | Shuichi Hirono, Ikuo Moriguchi, Hiroyuki Hirano |
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Rok vydání: | 1996 |
Předmět: |
Carcinogenicity Tests
Chemistry Health Toxicology and Mutagenesis Public Health Environmental and Occupational Health Computational biology Fuzzy adaptive Rodent carcinogenicity Rats Mice Structure-Activity Relationship Chemical engineering Carcinogens Animals Carcinogenicity Test Occupational exposure Least-Squares Analysis Research Article |
Zdroj: | Environmental Health Perspectives |
ISSN: | 1552-9924 0091-6765 |
Popis: | Fuzzy adaptive least-squares (FALS), a pattern recognition method recently developed in our laboratory for correlating structure with activity rating, was used to generate quantitative structure-activity relationship (QSAR) models on the carcinogenicity of organic compounds of several chemical classes. Using the predictive models obtained from the chemical class-based FALS QSAR approach, the rodent carcinogenicity or noncarcinogenicity of a group of organic chemicals currently being tested by the U.S. National Toxicology Program was estimated from their chemical structures. |
Databáze: | OpenAIRE |
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