Replication Data for: a combined and curated herg dataset from CardioTox net
Abdul Karim · Harvard Dataverse · 2022
A integrated Ether-a-go-go-related gene (hERG) dataset consisting of molecular structures labelled as hERG (=10uM) blockers in the form of SMILES strings was obtained from the DeepHIT, the BindingDB database, ChEMBL bioactivity database, and other literature.