chembl_v29

## Dataset Details

### Dataset Description

ChEMBL is a manually curated database of bioactive molecules with drug-like properties.
It brings together chemical, bioactivity and genomic data
to aid the translation of genomic information into effective new drugs.

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

### Dataset Sources

- [Article about original dataset](https://academic.oup.com/nar/article/47/D1/D930/5162468)
- [Exemplary related article shown in tdc's website](https://academic.oup.com/nar/article/43/W1/W612/2467881)

## Citation

<!-- If there is a paper or blog post introducing the dataset, the APA and Bibtex information for that should go in this section. -->

**BibTeX:**

```bibtex
@article{10.1093/nar/gky1075,
author = {Mendez, David and Gaulton, Anna and Bento, A Patricia and Chambers, Jon and De Veij,
Marleen and Felix, Eloy and Magarinos, Maria Paula and Mosquera,
Juan F and Mutowo, Prudence and Nowotka, Michal and Gordillo-Maranon,
Maria and Hunter, Fiona and Junco, Laura and Mugumbate, Grace and Rodriguez-Lopez, Milagros and Atkinson,
Francis and Bosc, Nicolas and Radoux, Chris J and Segura-Cabrera, Aldo and Hersey, Anne and Leach, Andrew R},
title = {ChEMBL: towards direct deposition of bioassay data},
journal = {Nucleic Acids Research},
volume = {47},
number = {D1},
pages = {D930-D940},
year = {2018},
month = {11},
abstract = "{ChEMBL is a large, open-access bioactivity database
(https://www.ebi.ac.uk/chembl), previously described in the 2012,
2014 and 2017 Nucleic Acids Research Database Issues.
In the last two years, several important improvements have been made to the database and are described here.
These include more robust capture and representation of assay details;
a new data deposition system, allowing updating of data sets and deposition of supplementary data;
and a completely redesigned web interface, with enhanced search and filtering capabilities.}",
issn = {0305-1048},
doi = {10.1093/nar/gky1075},
url = {https://doi.org/10.1093/nar/gky1075},
eprint = {https://academic.oup.com/nar/article-pdf/47/D1/D930/27437436/gky1075.pdf},
}
```

## 数据集详情
### 数据集描述
ChEMBL是经过人工审编的、具备类药特性的生物活性分子数据库。该库整合了化学、生物活性及基因组学数据，旨在助力将基因组信息转化为高效的新型药物。
- **审编方：**
- **许可协议：** CC BY-SA 3.0

### 数据集来源
- [原始数据集相关文章](https://academic.oup.com/nar/article/47/D1/D930/5162468)
- [治疗性数据通用库（Therapeutic Data Commons, TDC）网站展示的典型相关研究文章](https://academic.oup.com/nar/article/43/W1/W612/2467881)

## 引用信息
<!-- 若存在介绍该数据集的学术论文或博客文章，需在此处附上其APA及BibTeX格式的引用信息。 -->

**BibTeX格式：**
bibtex
@article{10.1093/nar/gky1075,
author = {Mendez, David and Gaulton, Anna and Bento, A Patricia and Chambers, Jon and De Veij,
Marleen and Felix, Eloy and Magarinos, Maria Paula and Mosquera,
Juan F and Mutowo, Prudence and Nowotka, Michal and Gordillo-Maranon,
Maria and Hunter, Fiona and Junco, Laura and Mugumbate, Grace and Rodriguez-Lopez, Milagros and Atkinson,
Francis and Bosc, Nicolas and Radoux, Chris J and Segura-Cabrera, Aldo and Hersey, Anne and Leach, Andrew R},
title = {ChEMBL：实现生物测定数据的直接提交},
journal = {核酸研究（Nucleic Acids Research)},
volume = {47},
number = {D1},
pages = {D930-D940},
year = {2018},
month = {11},
abstract = {ChEMBL是一个大型开放获取的生物活性数据库（https://www.ebi.ac.uk/chembl），此前曾在2012、2014及2017年的《核酸研究》数据库专刊中被介绍。过去两年间，该数据库完成了多项重要改进，本文对此进行了阐述。这些改进包括：更稳健的实验细节采集与呈现方式、全新的数据提交系统（支持数据集更新与补充数据提交），以及经过全面重新设计的网页界面，具备增强的搜索与筛选功能。},
issn = {0305-1048},
doi = {10.1093/nar/gky1075},
url = {https://doi.org/10.1093/nar/gky1075},
eprint = {https://academic.oup.com/nar/article-pdf/47/D1/D930/27437436/gky1075.pdf},
}