Mechanism-driven modeling of chemical hepatotoxicity using structural alerts and an in vitro screening assay
Xuelian Jia, Xia Wen, Daniel P. Russo, Lauren M. Aleksunes, Hao Zhu
Topics & Concepts
PubChemQuantitative structure–activity relationshipAdverse Outcome PathwayMechanism (biology)Computational biologyToxicityPharmacologyChemistryComputer scienceBioinformaticsBiologyPhilosophyEpistemologyOrganic chemistryComputational Drug Discovery MethodsPharmacogenetics and Drug MetabolismDrug-Induced Hepatotoxicity and Protection