Assessment of the rat acute oral toxicity of quinoline-based pharmaceutical scaffold molecules using QSTR, q-RASTR and machine learning methods
Jianing Xu, Ting Ren, Feifan Li, Shuo Chen, Tengjiao Fan, Lijiao Zhao, Rugang Zhong, Guohui Sun, Ning Lin
Topics & Concepts
QuinolineScaffoldChemistryMoleculeCombinatorial chemistryAcute toxicityToxicityStereochemistryPharmacologyOrganic chemistryComputer scienceMedicineDatabaseComputational Drug Discovery MethodsMetabolomics and Mass Spectrometry Studies