The potential for mutagenicity of chemicals of environmental concern, like aromatic amines and PAHs, is of high relevance. With regard to this important topic, our group has published interesting MLR models, always verified for their external predictivity on new chemicals, for the Ames test results on amines and Nitro-PAHs. Externally validated classification models, by k-NN and CART, were also developed for the mutagenicity of benzo-cyclopentaphenanthrenes and chrysenes, determined by the Ames test, and PAH mutagenicity, determined on human B-lymphoblastoid.
P.Gramatica et al., SAR QSAR Env Res., 2003, 14, 237; Ecotox. Environ. Safety, 2007, 66, 353; SAR QSAR Env Res.,2007, 18, 169;E. Papa et al. SAR QSAR Environ. Res., 2008 , 19,115.