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shawa avatar shawa commented on June 15, 2024

Running some ✨ queries to count: 1) number of drugs and 2) number of drugs with a CHeBI xref, we see that it's not a dece canonical identifier, only about a fifth of them actually have xrefs

SELECT (count(?drug) as ?count)
WHERE {
  ?drug rdfs:subClassOf dinto:000055 .
}

>> count: 8786

SELECT (count(?r) as ?count)
WHERE {
  ?drug rdfs:subClassOf dinto:000055 .
  ?drug obo:xref ?r .
  FILTER regex(?r, "^CHeBI:\\d+", "i")
}

>> count: 1915

from pathways.

shawa avatar shawa commented on June 15, 2024

On even further investigation, all of the drug URIs are either

http://purl.obolibrary.org/obo/CHEBI_\d+
or
http://purl.obolibrary.org/obo/DINTO_DB\d+

So chebi:\d+ or dinto:\d+ or some variation thereof would be handy way of representing drugs in the PMLs.

from pathways.

shawa avatar shawa commented on June 15, 2024

** Appendix: Useful SPARQL Queries on DINTO:
*
*** Prefixes:

PREFIX rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#>
PREFIX rdfs: <http://www.w3.org/2000/01/rdf-schema#>
PREFIX xsd: <http://www.w3.org/2001/XMLSchema#>
PREFIX obo: <http://purl.obolibrary.org/obo#>
PREFIX dinto: <http://purl.obolibrary.org/obo/DINTO_>

*** List all Drugs:

SELECT (count(?drug) as ?count)
WHERE {
  ?drug rdfs:subClassOf dinto:000055
}

8786
*
*** List all DDIs with their labels:

 ?interaction rdfs:subClassOf dinto:00010 .
 ?interaction rdfs:label ?label .

*** Given two drugs, find their interaction

from pathways.

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