BioSchemas / specifications

Issue tracker, technical wiki, and example markup
https://bioschemas.org
51 stars 50 forks source link

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

Open egonw opened 8 months ago

egonw commented 8 months ago

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.