Prediction of drug-induced liver injury and cardiotoxicity using chemical structure and in vitro assay data
Lin Ye, Deborah K. Ngan, Tuan Xu, Zhichao Liu, Jinghua Zhao, Srilatha Sakamuru, Li Zhang, Tongan Zhao, Menghang Xia, Anton Simeonov, Ruili Huang
Topics & Concepts
In vivoReceiver operating characteristicChemical spaceCardiotoxicityDrugRandom forestMedicineNaive Bayes classifierMachine learningDrug discoveryToxicityPharmacologyComputational biologySupport vector machineBioinformaticsComputer scienceInternal medicineBiologyBiotechnologyComputational Drug Discovery MethodsDrug-Induced Hepatotoxicity and ProtectionPharmacogenetics and Drug Metabolism