Machine learning-assisted data filtering and QSAR models for prediction of chemical acute toxicity on rat and mouse
Tao Bo, Yaohui Lin, Jinglong Han, Zhineng Hao, Jingfu Liu
Topics & Concepts
Quantitative structure–activity relationshipChemical toxicityAcute toxicityMachine learningToxicityArtificial intelligenceComputer scienceChemistryComputational biologyBiologyOrganic chemistryComputational Drug Discovery MethodsMetabolomics and Mass Spectrometry StudiesSpectroscopy and Chemometric Analyses