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Explain how to comply with the FAIR chemical structures specification #657

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egonw opened this issue Oct 31, 2023 · 0 comments
Open

Explain how to comply with the FAIR chemical structures specification #657

egonw opened this issue Oct 31, 2023 · 0 comments

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@egonw
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egonw commented Oct 31, 2023

As explained in https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-021-00520-4.pdf:

The author-submitted template file should contain at least one of the following columns: SMILES, InChI, Name or InChIKey.
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