jablonkagroup/herg_karim_et_al

Dataset Details Dataset Description A integrated Ether-à-go-go-related gene (hERG) dataset consisting of molecular structures labelled as hERG (<10uM) and non-hERG (>=10uM) blockers in the form of SMILES strings was obtained from the DeepHIT, the BindingDB database, ChEMBL bioactivity database, and other literature. Curated by: License: CC BY 4.0 Dataset Sources corresponding publication Data source Citation BibTeX:… See the full description on the dataset page: https://huggingface.co/datasets/jablonkagroup/herg_karim_et_al.