Dataset Information

Karim2021 - CardioTox net: Ligand-based prediction of hERG blockade

ABSTRACT: 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 Model Type: Predictive machine learning model. Model Relevance: Prediction of hERG blockade Model Encoded by: Miquel Duran-Frigola (Ersilia) Metadata Submitted in BioModels by: Zainab Ashimiyu-Abdusalam Implementation of this model code by Ersilia is available here: https://github.com/ersilia-os/eos2ta5

SUBMITTER: Zainab Ashimiyu-Abdusalam