The rat acute oral toxicity of trifluoromethyl compounds (TFMs): a computational toxicology study combining the 2D-QSTR, read-across and consensus modeling methods
Xinyi Lu, Xin Wang, Shuo Chen, Tengjiao Fan, Lijiao Zhao, Rugang Zhong, Guohui Sun
Topics & Concepts
ChemistryLipophilicityTrifluoromethylComputational chemistryBiochemical engineeringStereochemistryOrganic chemistryEngineeringAlkylComputational Drug Discovery MethodsInflammatory mediators and NSAID effectsSynthesis and biological activity