Investigating cardiotoxicity related with hERG channel blockers using molecular fingerprints and graph attention mechanism
Tianyi Wang, Jianqiang Sun, Qi Zhao
Topics & Concepts
hERGCardiotoxicityDrug discoveryComputer scienceComputational biologyFingerprint (computing)Artificial intelligenceChemistryBioinformaticsMedicinePotassium channelBiologyInternal medicineOrganic chemistryToxicityComputational Drug Discovery MethodsMachine Learning in Materials ScienceMachine Learning in Bioinformatics