cyp_p450_3a4_inhibition_veith_et_al

## Dataset Details

### Dataset Description

The CYP P450 genes are involved in the formation and breakdown (metabolism)
of various molecules and chemicals within cells. Specifically, CYP3A4 is an
important enzyme in the body, mainly found in the liver and in the intestine.
It oxidizes small foreign organic molecules (xenobiotics), such as toxins or
drugs, so that they can be removed from the body.

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

### Dataset Sources

- [corresponding publication](https://doi.org/10.1038/nbt.1581)
- [data source](https://tdcommons.ai/single_pred_tasks/adme/#cyp-p450-3a4-inhibition-veith-et-al)

## Citation

**BibTeX:**

```bibtex
@article{Veith2009,
doi = {10.1038/nbt.1581},
url = {https://doi.org/10.1038/nbt.1581},
year = {2009},
month = oct,
publisher = {Springer Science and Business Media LLC},
volume = {27},
number = {11},
pages = {1050--1055},
author = {Henrike Veith and Noel Southall and Ruili Huang and Tim James
and Darren Fayne and Natalia Artemenko and Min Shen and James Inglese
and Christopher P Austin and David G Lloyd and Douglas S Auld},
title = {Comprehensive characterization of cytochrome P450 isozyme selectivity
across chemical libraries},
journal = {Nature Biotechnology}
```

## 数据集详情

### 数据集描述
细胞色素P450（CYP P450）基因参与细胞内多种分子与化学物质的生成与分解（代谢）过程。其中，CYP3A4是人体中一类重要的酶，主要分布于肝脏与肠道内，可氧化外源性有机小分子（xenobiotics，异生物质），例如毒素与药物，使其能够被机体清除。

- **整理方：**
- **许可证：** 知识共享署名4.0（CC BY 4.0）

### 数据集来源
- [相关研究论文](https://doi.org/10.1038/nbt.1581)
- [数据源](https://tdcommons.ai/single_pred_tasks/adme/#cyp-p450-3a4-inhibition-veith-et-al)

## 引用信息

**BibTeX格式引用：**
bibtex
@article{Veith2009,
doi = {10.1038/nbt.1581},
url = {https://doi.org/10.1038/nbt.1581},
year = {2009},
month = oct,
publisher = {Springer Science and Business Media LLC},
volume = {27},
number = {11},
pages = {1050--1055},
author = {Henrike Veith and Noel Southall and Ruili Huang and Tim James and Darren Fayne and Natalia Artemenko and Min Shen and James Inglese and Christopher P Austin and David G Lloyd and Douglas S Auld},
title = {化学文库中细胞色素P450同工酶选择性的全面表征},
journal = {Nature Biotechnology}
}

搜集汇总

背景与挑战

背景概述

该数据集聚焦于CYP3A4酶，这是一种在肝脏和肠道中发挥关键作用的酶，负责氧化外源性有机分子如毒素或药物，以促进其代谢排出。数据来源于相关研究出版物，旨在支持对细胞色素P450同工酶选择性的全面表征。