Prediction of the rodent carcinogenicity of organic compounds from their chemical structures using the FALS method.
Open Access
- 1 October 1996
- journal article
- Published by Environmental Health Perspectives in Environmental Health Perspectives
- Vol. 104 (suppl 5) , 1051-1058
- https://doi.org/10.1289/ehp.96104s51051
Abstract
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.Keywords
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