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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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chebi.owl: 7 ChEBI annotation properties are missing labels, ranges, definitions, ... #4495

Open hricd opened 5 months ago

hricd commented 5 months ago

In chebi.owl file there are 7 annotation properties in ChEBI namespace, and they all have only type defined:

    <!-- http://purl.obolibrary.org/obo/chebi/charge -->

    <owl:AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/charge"/>

    <!-- http://purl.obolibrary.org/obo/chebi/formula -->

    <owl:AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/formula"/>

    <!-- http://purl.obolibrary.org/obo/chebi/inchi -->

    <owl:AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/inchi"/>

    <!-- http://purl.obolibrary.org/obo/chebi/inchikey -->

    <owl:AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/inchikey"/>

    <!-- http://purl.obolibrary.org/obo/chebi/mass -->

    <owl:AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/mass"/>

    <!-- http://purl.obolibrary.org/obo/chebi/monoisotopicmass -->

    <owl:AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/monoisotopicmass"/>

    <!-- http://purl.obolibrary.org/obo/chebi/smiles -->

    <owl:AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/smiles"/>

I found the descriptions for 6 of them on this page EBI Search | EMBL-EBI, but I don't know what is the authoritative source. In any case, they should be defined with a bit more metadata in the OWL file.

cmungall commented 1 month ago

I recommend CHEBI take these from CHEMINF or chemrof. E.g https://w3id.org/chemrof/chemical_formula