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