buchwald_hartwig

## Dataset Details

### Dataset Description

High-throughput experimentation palladium-catalyzed Buchwald Hardwig
C-N cross-coupling data set with yields.

- **Curated by:**
- **License:** MIT

### Dataset Sources

- [corresponding publication](https://doi.org/10.1126/science.aar5169)
- [publication with data processing](https://www.sciencedirect.com/science/article/pii/S2451929420300851)
- [preprocessing](https://github.com/rxn4chemistry/rxn_yields/blob/master/rxn_yields/data.py)
- [dataset](https://github.com/reymond-group/drfp/tree/main/data)

## 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{ahneman2018predicting,
title={Predicting reaction performance in C--N cross-coupling using machine learning},
author={Ahneman, Derek T and Estrada, Jes{'u}s G and Lin, Shishi and Dreher, Spencer D and Doyle, Abigail G},
journal={Science},
volume={360},
number={6385},
pages={186--190},
year={2018},
publisher={American Association for the Advancement of Science},
}
```

# 数据集详情
## 数据集描述
本数据集为收录反应产率的高通量实验钯催化布赫瓦尔德-哈特维希（Buchwald-Hartwig）C-N交叉偶联反应数据集。
- **整理者：**
- **许可证：** MIT

## 数据集来源
- [相关研究论文](https://doi.org/10.1126/science.aar5169)
- [包含数据处理流程的研究论文](https://www.sciencedirect.com/science/article/pii/S2451929420300851)
- [预处理代码](https://github.com/rxn4chemistry/rxn_yields/blob/master/rxn_yields/data.py)
- [数据集文件](https://github.com/reymond-group/drfp/tree/main/data)

## 引用信息
<!-- 若该数据集由相关论文或博客介绍，请在此处附上APA格式与BibTeX格式的引用信息。 -->
**BibTeX引用：**
bibtex
@article{ahneman2018predicting,
title={利用机器学习预测C-N交叉偶联反应的反应性能},
author={Ahneman, Derek T and Estrada, Jes{'u}s G and Lin, Shishi and Dreher, Spencer D and Doyle, Abigail G},
journal={Science},
volume={360},
number={6385},
pages={186--190},
year={2018},
publisher={美国科学促进会},
}