jablonkagroup/herg_blockers
Dataset Details Dataset Description Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity related attritions in the later development stages. Curated by: License: CC BY 4.0 Dataset Sources… See the full description on the dataset page: https://huggingface.co/datasets/jablonkagroup/herg_blockers.
Dataset Details
Dataset Description
Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity related attritions in the later development stages.
- Curated by:
- License: CC BY 4.0
Dataset Sources
Citation
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BibTeX:
@article{Wang2016,
doi = {10.1021/acs.molpharmaceut.6b00471},
url = {https://doi.org/10.1021/acs.molpharmaceut.6b00471},
year = {2016},
month = jul,
publisher = {American Chemical Society (ACS)},
volume = {13},
number = {8},
pages = {2855--2866},
author = {Shuangquan Wang and Huiyong Sun and Hui Liu and Dan Li and
Youyong Li and Tingjun Hou},
title = {ADMET Evaluation in Drug Discovery. 16. Predicting hERG Blockers
by Combining Multiple Pharmacophores and Machine Learning Approaches},
journal = {Molecular Pharmaceutics}