A robust predictor for hERG channel blockade based on an ensemble of five deep learning models. The authors have collected a dataset from public sources, such as BindingDB and ChEMBL on hERG blockers and non-blockers. The cut-off for hERG blockade was set at IC50 < 10 uM for the classifier.
eos2ta5
cardiotoxnet-herg
Compound
Single
Classification
Probability
Float
Single
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