Format of the archive file

The most commonly used method to share chemistry objects is to compressed or archive them in the form of a .zip file. This is what authors of scientific publication do when submitting supplementary data.

Identify file types

• Apply FITS analyser to identify file types. Here also, make the results of this analysis accessible by REST API

• Make a list of Chemistry Objects detector of chemistry objects (CO)

Propose OAI-PMH service

• They allow harvesting based on the author name, list only recently added records, etc.
• Consider tagging specific types of data (say, chemistry data, or more specific such as chemistry NMR data) using OAI-PMH set. The ontology if still to be defined!

Add a layer of open/FAIR data

• For any file in a proprietary format add data in open format (or API to make them…and use visualize them …). -add smiles/inchi to chemistry … and make them accessible by REST API

Note: These recommendations reflect the author’s image of the state of the discussions in diverse sources (the University of Geneva eResearch group, a IUPAC working group co-chaired by R. Hanson and D. Jeannerat, following the RO-Crate community and the NMReDATA Initiative)