---
title: RedDB
canonical_url: "https://www.modelscope.cn/datasets/jablonkagroup/RedDB"
md_url: "https://www.modelscope.cn/datasets/jablonkagroup/RedDB.md"
repository: jablonkagroup/RedDB
last_updated: 2025-05-27
license: "Apache License 2.0"
storage_size: "32 MB"
downloads: 668
stars: 0
---

# RedDB

> RedDB - jablonkagroup 在 ModelScope 开源的数据集。RedDB: a computational database that contains 30861 molecules from two prominent classes of organic electroactive compounds, quinones and aza-aromatics, has been presented. RedDB incorporates miscellaneous…

jablonkagroup/RedDB 是 ModelScope 魔搭社区上的数据集，存储大小 32 MB，采用 Apache License 2.0 许可。

- **Repository**: jablonkagroup/RedDB
- **License**: Apache License 2.0
- **Storage size**: 32 MB
- **Downloads**: 668
- **Stars**: 0
- **Last updated**: 2025-05-27

Source: https://www.modelscope.cn/datasets/jablonkagroup/RedDB

---

## Dataset Details

### Dataset Description

RedDB: a computational database that contains 30861 molecules
from two prominent classes of organic electroactive compounds, quinones and aza-aromatics,
has been presented. RedDB incorporates miscellaneous physicochemical property information
of the compounds that can potentially be employed as battery performance descriptors.
RedDBs development steps, including:
(i) chemical library generation,
(ii) molecular property prediction based on quantum chemical calculations,
(iii) aqueous solubility prediction using machine learning,
(iv) data processing and database creation, have been described.

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

### Dataset Sources

- [corresponding publication](https://doi.org/10.1038/s41597-022-01832-2)
- [Data source](https://dataverse.harvard.edu/dataset.xhtml?persistentId=doi:10.7910/DVN/F3QFSQ)

## 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{Elif2022,
doi = {10.1021/ci300400a},
url = {https://doi.org/10.1038/s41597-022-01832-2},
year = {2022},
volume = {9},
number = {1},
author = {Elif Sorkun and Qi Zhang and Abhishek Khetan and Murat Cihan Sorkun and
Suleyman Er},
journal = {Nature Scientific Data}
```