Add chemical identifiers

[eibar-flores]

Is it possible to add additional chemical identifiers? Some widely used are not yet supported by emmo.

• SMILES (isA ChemicalNomenclature): http://opensmiles.org/opensmiles.html

• InChI Key (isA IUPACNomenclature): a hashed version of the full InChI (using the SHA-256 algorithm, designed to allow for easy web searches of chemical compounds.

[jesper-friis]

Would it make sense to add two new annotation properties for them in the chemistry module?

[eibar-flores]

Would it make sense to add two new annotation properties for them in the chemistry module?

It is a possibility, yes. However, given InChI is already defined in EMMO, wouldn't it be confusing to define InChI Key and SMILES in a different module?

[jesper-friis]

I was thinking about the chemistry module in EMMO, the same module in which InChI is defined.

[jesper-friis]

Where you thinking about something like this: #275

[eibar-flores]

Where you thinking about something like this: #275

Excellent, this works. Thanks for addressing it so quickly!

[jesper-friis]

We will review the PR in the EMMO dev. meeting on Thursday. Then it might be merged.