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add a new example of py2opsin usage
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JacksonBurns authored Aug 14, 2024
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Expand Up @@ -81,6 +81,7 @@ smiles_strings = py2opsin(compound_list)

## Examples
- Jeremy Monat's ([@bertiewooster](https://github.com/bertiewooster)) fantastic [blog post](https://bertiewooster.github.io/2023/03/10/Revisiting-a-Classic-Cheminformatics-Paper-The-Wiener-Index.html) using `py2opsin` to help explore the Wiener Index by enabling translation from IUPAC names into molecules directly from the original paper.
- "Holistic chemical evaluation reveals pitfalls in reaction prediction models" by Gil et al. on [arXiv](https://arxiv.org/abs/2312.09004) uses `py2opsin` to help translate a large dataset, see their [code on GitHub](https://github.com/schwallergroup/choriso/blob/baa87aeb61aab170f3100596c070fcc046291455/notebooks/07_dictionnary_creation.ipynb).

## Online Documentation
[Click here to read the documentation](https://JacksonBurns.github.io/py2opsin/)
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