cyp2d6_substrate_carbonmangels

## Dataset Details

### Dataset Description

CYP2D6 is primarily expressed in the liver. It is also highly expressed
in areas of the central nervous system, including the substantia nigra. TDC
used a dataset from Carbon Mangels et al, which merged information on substrates
and nonsubstrates from six publications.

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

### Dataset Sources

- [corresponding publication](https://doi.org/10.1002/minf.201100069)
- [corresponding publication](https://doi.org/10.1021/ci300367a)
- [data source](https://tdcommons.ai/single_pred_tasks/adme/#cyp2d6-substrate-carbon-mangels-et-al)

## Citation

**BibTeX:**

```bibtex
@article{CarbonMangels2011,
doi = {10.1002/minf.201100069},
url = {https://doi.org/10.1002/minf.201100069},
year = {2011},
month = sep,
publisher = {Wiley},
volume = {30},
number = {10},
pages = {885--895},
author = {Miriam Carbon-Mangels and Michael C. Hutter},
title = {Selecting Relevant Descriptors for Classification by Bayesian Estimates:
A Comparison with Decision Trees and Support Vector Machines Approaches for Disparate Data Sets},
journal = {Molecular Informatics}
@article{Cheng2012,
doi = {10.1021/ci300367a},
url = {https://doi.org/10.1021/ci300367a},
year = {2012},
month = nov,
publisher = {American Chemical Society (ACS)},
volume = {52},
number = {11},
pages = {3099--3105},
author = {Feixiong Cheng and Weihua Li and Yadi Zhou and Jie Shen
and Zengrui Wu and Guixia Liu and Philip W. Lee and Yun Tang},
title = {admetSAR: A Comprehensive Source and Free Tool for
Assessment of Chemical ADMET Properties},
journal = {Journal of Chemical Information and Modeling}
```

## 数据集详情

### 数据集描述

CYP2D6主要在肝脏中表达，同时在中枢神经系统的多个区域（包括黑质 (substantia nigra)）中也呈现高表达。TDC采用了Carbon Mangels等人的数据集，该数据集整合了来自6篇文献的底物与非底物相关信息。

- **整理者：**
- **授权协议：** CC BY 4.0

### 数据集来源

- [相关文献](https://doi.org/10.1002/minf.201100069)
- [相关文献](https://doi.org/10.1021/ci300367a)
- [数据来源](https://tdcommons.ai/single_pred_tasks/adme/#cyp2d6-substrate-carbon-mangels-et-al)

## 引用

**BibTeX格式：**

bibtex
@article{CarbonMangels2011,
doi = {10.1002/minf.201100069},
url = {https://doi.org/10.1002/minf.201100069},
year = {2011},
month = sep,
publisher = {Wiley},
volume = {30},
number = {10},
pages = {885--895},
author = {Miriam Carbon-Mangels and Michael C. Hutter},
title = {基于贝叶斯估计的分类相关描述符选择：异质数据集下与决策树、支持向量机方法的对比},
journal = {Molecular Informatics}
@article{Cheng2012,
doi = {10.1021/ci300367a},
url = {https://doi.org/10.1021/ci300367a},
year = {2012},
month = nov,
publisher = {美国化学会 (ACS)},
volume = {52},
number = {11},
pages = {3099--3105},
author = {Feixiong Cheng and Weihua Li and Yadi Zhou and Jie Shen and Zengrui Wu and Guixia Liu and Philip W. Lee and Yun Tang},
title = {admetSAR：用于评估化学品ADMET特性的综合资源与免费工具},
journal = {Journal of Chemical Information and Modeling}