herg_central_inhib

## 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. There are three targets: hERG_at_1microM,
hERG_at_10microM, and herg_inhib.

- **Curated by:**
- **License:** CC BY 4.0

### Dataset Sources

- [corresponding publication](https://doi.org/10.1089/adt.2011.0425)
- [TDC Contributer](https://bbirnbaum.com/)
- [Data source](https://tdcommons.ai/single_pred_tasks/tox/#herg-central)

## Citation

**BibTeX:**

```bibtex
@article{Du2011,
doi = {10.1089/adt.2011.0425},
url = {https://doi.org/10.1089/adt.2011.0425},
year = {2011},
month = dec,
publisher = {Mary Ann Liebert Inc},
volume = {9},
number = {6},
pages = {580--588},
author = {Fang Du and Haibo Yu and Beiyan Zou and Joseph Babcock
and Shunyou Long and Min Li},
title = {hERGCentral: A Large Database to Store, Retrieve, and Analyze Compound Human
Ether-à-go-go Related Gene Channel Interactions to Facilitate Cardiotoxicity Assessment in Drug Development},
journal = {ASSAY and Drug Development Technologies}
```

## 数据集详情
### 数据集描述
人Ether-à-go-go相关基因（human ether-à-go-go related gene，hERG）对心脏搏动的协调调控至关重要。若药物阻断hERG通道，可能引发严重不良反应。因此，在药物研发早期阶段可靠预测hERG相关安全性风险，对于降低后续研发阶段中与心脏毒性相关的候选药物淘汰风险具有重要意义。本数据集包含三个预测目标：hERG_at_1microM、hERG_at_10microM以及hERG_inhib。

- **数据整理方：**
- **许可协议：** CC BY 4.0

### 数据集来源
- [对应文献](https://doi.org/10.1089/adt.2011.0425)
- [TDC贡献者](https://bbirnbaum.com/)
- [数据来源](https://tdcommons.ai/single_pred_tasks/tox/#herg-central)

## 引用
**BibTeX格式引用：**
bibtex
@article{Du2011,
doi = {10.1089/adt.2011.0425},
url = {https://doi.org/10.1089/adt.2011.0425},
year = {2011},
month = dec,
publisher = {Mary Ann Liebert Inc},
volume = {9},
number = {6},
pages = {580--588},
author = {Fang Du and Haibo Yu and Beiyan Zou and Joseph Babcock
and Shunyou Long and Min Li},
title = {hERGCentral: A Large Database to Store, Retrieve, and Analyze Compound Human
Ether-à-go-go Related Gene Channel Interactions to Facilitate Cardiotoxicity Assessment in Drug Development},
journal = {ASSAY and Drug Development Technologies}
}