Combining multi-dimensional molecular fingerprints to predict the hERG cardiotoxicity of compounds
Weizhe Ding, Yang Nan, Juanshu Wu, Chenyang Han, Xiangxin Xin, Siyuan Li, Hongsheng Liu, Li Zhang
Topics & Concepts
hERGCardiotoxicityFingerprint (computing)Computer scienceFeature (linguistics)Artificial intelligenceMachine learningData miningComputational biologyMedicineBiologyInternal medicineToxicityPotassium channelLinguisticsPhilosophyComputational Drug Discovery MethodsReceptor Mechanisms and SignalingCardiac electrophysiology and arrhythmias