title: Prediction of the rodent carcinogenicity of organic compounds from their chemical structures using the FALS method.
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.
authors.affiliation: School of Pharmaceutical Sciences, Kitasato University, Tokyo, Japan.
authors.forename: I
authors.initials: I
authors.lastname: Moriguchi
authors.forename: H
authors.initials: H
authors.lastname: Hirano
authors.forename: S
authors.initials: S
authors.lastname: Hirono
mesh_terms: D000818:Animals; D015197:Carcinogenicity Tests; D002273:Carcinogens / Q000737:chemistry / Q000633:toxicity*; D016018:Least-Squares Analysis; D051379:Mice; D051381:Rats; D013329:Structure-Activity Relationship
chemical_list: D002273:Carcinogens