caco2_wang

## Dataset Details

### Dataset Description

The human colon epithelial cancer cell line, Caco-2,
is used as an in vitro model to simulate the human intestinal tissue.
The experimental result on the rate of drug passing through
the Caco-2 cells can approximate the rate at which the drug permeates
through the human intestinal tissue.

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

### Dataset Sources

- [original data set link](https://tdcommons.ai/single_pred_tasks/adme/#caco-2-cell-effective-permeability-wang-et-al)
- [corresponding publication](https://pubs.acs.org/doi/10.1021/acs.jcim.5b00642)

## Citation

**BibTeX:**

```bibtex
@article{wang2016adme,
title={ADME properties evaluation in drug discovery: prediction of Caco-2 cell permeability
using a combination of NSGA-II and boosting},
author={Wang, Ning-Ning and Dong, Jie and Deng, Yin-Hua and Zhu, Min-Feng and Wen, Ming and Yao,
Zhi-Jiang and Lu, Ai-Ping and Wang, Jian-Bing and Cao, Dong-Sheng},
journal={Journal of Chemical Information and Modeling},
volume={56},
number={4},
pages={763--773},
year={2016},
publisher={ACS Publications}
}
```

## 数据集详情
### 数据集描述
人结肠上皮癌细胞系Caco-2（Caco-2）常被用作体外模型，以模拟人体肠道组织。基于该细胞系的药物透过率实验结果，可近似反映药物穿透人体肠道组织的速率。
- **整理方：**
- **授权协议：** CC BY 4.0

### 数据集来源
- [原始数据集链接](https://tdcommons.ai/single_pred_tasks/adme/#caco-2-cell-effective-permeability-wang-et-al)
- [相关研究文献](https://pubs.acs.org/doi/10.1021/acs.jcim.5b00642)

## 引用
**BibTeX格式：**
bibtex
@article{wang2016adme,
title={ADME（吸收、分布、代谢、排泄）特性评估：药物发现中的Caco-2细胞通透性预测——基于NSGA-II与提升算法的组合方案},
author={Wang, Ning-Ning and Dong, Jie and Deng, Yin-Hua and Zhu, Min-Feng and Wen, Ming and Yao, Zhi-Jiang and Lu, Ai-Ping and Wang, Jian-Bing and Cao, Dong-Sheng},
journal={Journal of Chemical Information and Modeling},
volume={56},
number={4},
pages={763--773},
year={2016},
publisher={ACS Publications}
}

搜集汇总

背景与挑战

背景概述

该数据集使用Caco-2细胞系作为人类肠道组织的体外模型，研究药物渗透速率及其与人体肠道渗透率的关系，来源于2016年关于药物ADME性质评估的研究。