Clean up chemical entity

NRayya commented 8 months ago

Importing "chemical entity" from CHEBI resulted in importing many irrelevant classes Those classes additionally result in heterogeneity of the class molecular entity as some of its children are strucutre based while the others are role based. We will keep the heterogeneity but we need to:

[ ] Keep molecular entity and Has role NMR solvent
[ ] Keep Molecular entity and Has role NMR Reference
[ ] Keep Isotope atoms provided in chebi_terms.txt
[ ] Delete all other instances, leaf classes, and childless parents

NRayya commented 8 months ago

I have deprecated the abovementioned terms with the reason "out of scope" and without suggesting alternatives. d6b3c89065f753eaa43b4c17c2ab1707497e5d74

StroemPhi commented 7 months ago

To not get these classes from CHEBI we need to modify the import module to not pull them in instead of deprecating the terms in nmrCV.

NRayya commented 3 months ago

related to #29

nmrML / nmrCV

Clean up chemical entity #20