V1.0.0-beta5: Chemistry - Improved Modelling of Molecules and Chemical Reactions ?

[markdoerr]

Dear EMMO developers,

a while ago there existed a "Chemistry" branch (which I do not find anymore). Since v1.0.0.-beta5 made some good progress in consistency of the overall modelling I am wondering, what your plans are regarding chemical entities, like molecules, polymers, mixtures and reactions ?

To my impression, the modelling of Molecules could be improved: if one tries to build a SPARQL query, that asks (with 1.0.0-beta5), if a Molecule consists of Atoms, one might not get a simple answer, the same seems true for Hetero- / Homonuclear Molecules. Bulk properties, like Molecular Mass (in its various definitions, also capturing isotopic compositions) and Density as well as chemical composition are also not easy derivable with SPARQL queries of the current version.

Is it planned to add at least some very basic terms describing chemical reactions ? You could consider adding some "glue terms" in the main EMMO ontolgoy and build a EMMO-chemistry sub-ontology (module).

Thanks :)