Ontology recommendations

ebi-chebi / ChEBI

Chemical Entities of Biological Interest (ChEBI) is a freely available dictionary of molecular entities focused on ‘small’ chemical compounds.

https://www.ebi.ac.uk/chebi

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Ontology recommendations #4484

Closed eriksson1800 closed 3 months ago

eriksson1800 commented 4 months ago

Here are a few recommendations my team and I have proposed for the CHEBI ontology:

benzopyrroles (22728) should be a subclass of pyrroles (26455)
Entities that are subclasses of group and molecular entity: 144321, 156504, 74635, 167175, 167174, 167178 64898
anionic amino-acid residue should be a subclass of amino acid residue (33708)

amalik01 commented 3 months ago

Hi, Benzopyrroles cannot be classified as pyrroles since they are bicyclic compounds whereas pyrroles are monocyclic. A different type of relationship will need to be added to ChEBI to capture this type of relationship (For example _hassubstructure pyrolle).

I have fixed the above entries that were in two hierarchies (group and molecular entity).

I have added a conjugate acid/base relationship to capture the relation between amino acid residue and anion amino-acid residue.