---
title: odd_one_out
canonical_url: "https://www.modelscope.cn/datasets/jablonkagroup/odd_one_out"
md_url: "https://www.modelscope.cn/datasets/jablonkagroup/odd_one_out.md"
repository: jablonkagroup/odd_one_out
last_updated: 2025-05-28
license: "Apache License 2.0"
storage_size: "343 MB"
downloads: 781
stars: 0
---

# odd_one_out

> odd_one_out - jablonkagroup 在 ModelScope 开源的数据集。Tanimoto distance between Morgan fingerprints of SMILES in the ZINC dataset. We performed filtering to exclude sequences of molecules where there is no strong difference.

jablonkagroup/odd_one_out 是 ModelScope 魔搭社区上的数据集，存储大小 343 MB，采用 Apache License 2.0 许可。

- **Repository**: jablonkagroup/odd_one_out
- **License**: Apache License 2.0
- **Storage size**: 343 MB
- **Downloads**: 781
- **Stars**: 0
- **Last updated**: 2025-05-28

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

---

## Dataset Details

### Dataset Description

Tanimoto distance between Morgan fingerprints of SMILES in the ZINC dataset.
We performed filtering to exclude sequences of molecules where there is no strong difference.

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

### Dataset Sources

No links provided

## 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{Irwin_2020,
  doi = {10.1021/acs.jcim.0c00675},
  url = {https://doi.org/10.1021%2Facs.jcim.0c00675},
  year = 2020,
  month = {oct},
  publisher = {American Chemical Society ({ACS})},
  volume = {60},
  number = {12},
  pages = {6065--6073},
  author = {John J. Irwin and Khanh G. Tang and Jennifer Young and Chinzorig Dandarchuluun
  and Benjamin R. Wong and Munkhzul Khurelbaatar and Yurii S. Moroz and John Mayfield and Roger A. Sayle},
  title = {{ZINC}20{\textemdash}A Free Ultralarge-Scale Chemical Database for Ligand Discovery},
  journal = {J. Chem. Inf. Model.}
}
```