lipophilicity

## Dataset Details

### Dataset Description

Experimental results of octanol/water distribution coefficient (logD at pH 7.4).

- **Curated by:**
- **License:** CC BY-SA 3.0

### Dataset Sources

- [original dataset link](https://deepchemdata.s3-us-west-1.amazonaws.com/datasets/Lipophilicity.csv)
- [original meta data](https://github.com/cheminfo/molecule-features/blob/main/data/lipophilicity/meta.yaml)
- [original dataset link from moleculenet](https://deepchem.readthedocs.io/en/latest/api_reference/moleculenet.html#lipo-datasets)
- [original report card](https://www.ebi.ac.uk/chembl/document_report_card/CHEMBL3301361/)
- [original dataset license from chembl](https://chembl.gitbook.io/chembl-interface-documentation/about#data-licensing)
- [used dataset license](https://creativecommons.org/licenses/by-sa/3.0/)

## Citation

**BibTeX:**

```bibtex
@techreport{hersey2015chembl,
title={ChEMBL Deposited Data Set-AZ dataset},
author={Hersey, Anne},
year={2015},
institution={Technical Report, Technical report, EMBL-EBI, 2015. https://www. ebi. ac. uk}
}
```

## 数据集详情
### 数据集描述
本数据集包含正辛醇/水分配系数（pH 7.4条件下的logD）的实验结果。
- **数据整理者：**
- **授权协议：** CC BY-SA 3.0

### 数据集来源
- **原始数据集链接：** [https://deepchemdata.s3-us-west-1.amazonaws.com/datasets/Lipophilicity.csv]
- **原始元数据：** [https://github.com/cheminfo/molecule-features/blob/main/data/lipophilicity/meta.yaml]
- **分子网络（MoleculeNet）平台原始数据集链接：** [https://deepchem.readthedocs.io/en/latest/api_reference/moleculenet.html#lipo-datasets]
- **原始报告卡：** [https://www.ebi.ac.uk/chembl/document_report_card/CHEMBL3301361/]
- **ChEMBL官方数据集授权协议：** [https://chembl.gitbook.io/chembl-interface-documentation/about#data-licensing]
- **本数据集使用授权协议：** [https://creativecommons.org/licenses/by-sa/3.0/]

## 参考文献
**BibTeX 格式：**
bibtex
@techreport{hersey2015chembl,
title={ChEMBL 提交数据集——AZ数据集},
author={Hersey, Anne},
year={2015},
institution={技术报告，欧洲分子生物学实验室-欧洲生物信息研究所（EMBL-EBI），2015. https://www.ebi.ac.uk}
}