herg_central_at_10uM

## 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\nand Shunyou Long and Min Li},
title = {hERGCentral: A Large Database to Store, Retrieve, and Analyze Compound Human\nEther-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
人类ether-à-go-go相关基因（human ether-à-go-go related gene，hERG）对心脏搏动的调控至关重要。若药物阻断该基因编码的离子通道，则可能引发严重不良反应。因此，在药物研发的早期阶段，可靠预测化合物的hERG结合风险，对于降低后期开发阶段因心脏毒性相关原因导致的研发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与hERG_inhib。

- **整理方：**
- **许可协议：** CC BY 4.0（知识共享署名4.0国际许可协议）

### 数据集来源
- [对应出版物](https://doi.org/10.1089/adt.2011.0425)
- [TDC贡献方](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}
}

搜集汇总

背景与挑战

背景概述

该数据集专注于人类hERG基因在10微摩尔浓度下的相互作用数据，用于预测药物阻断hERG通道的潜在心脏毒性风险，以支持早期药物开发中的安全性评估。数据来源于学术出版物和公开贡献，采用CC BY 4.0许可，旨在减少药物后期开发阶段的心血管相关损耗。