Systematic QSAR and iQCCR modelling of fused/non-fused aromatic hydrocarbons (FNFAHs) carcinogenicity to rodents: reducing unnecessary chemical synthesis and animal testing
Feifan Li, Tengjiao Fan, Guohui Sun, Lijiao Zhao, Rugang Zhong, Yongzhen Peng
Abstract
The prediction of new or untested FNFAHs will reduce unnecessary chemical synthesis and animal testing, and contribute to the design of safer chemicals for production activities.
Topics & Concepts
Quantitative structure–activity relationshipChemistryCombinatorial chemistryOrganic chemistryBiochemical engineeringStereochemistryEngineeringComputational Drug Discovery MethodsMetabolomics and Mass Spectrometry StudiesToxic Organic Pollutants Impact