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DominikMartinatDominikMartinatYojanaGadiya
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MolMeDB RDF query update for new schema (#267)
Co-authored-by: DominikMartinat <darth@darth.localdomain> Co-authored-by: Yojana Gadiya <45199062+YojanaGadiya@users.noreply.github.com>
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src/pyBiodatafuse/annotators/queries/molmedb-transporters-inhibited-by-molecule.rq

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@@ -20,7 +20,8 @@ VALUES ?inhibitorInChIKey { $inhibitor_list }
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sio:SIO_000008 [ sio:SIO_000300 ?uniprot_trembl_id];
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rdfs:label ?hgcn_id;
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];
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bao:BAO_0000208 [rdf:type mmdbvoc:InhibitionAssay;
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sio:SIO_000300 repr:PositiveResult].
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bao:BAO_0000208 [^bao:BAO_0095000 [rdf:type mmdbvoc:InhibitionAssay;
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sio:SIO_000300 repr:PositiveResult]].
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?ref bibo:pmid ?source_pmid
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OPTIONAL {?ref bibo:doi ?source_doi}
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}

src/pyBiodatafuse/annotators/queries/molmedb-transporters-inhibitors.rq

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@@ -20,16 +20,17 @@ WHERE {
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bao:BAO_0090012 ?transporter ;
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bao:BAO_0000426 [dcterms:references ?ref] ;
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bao:BAO_0090012 ?inhibitor ;
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bao:BAO_0000208 [rdf:type mmdbvoc:InhibitionAssay;
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sio:SIO_000300 repr:PositiveResult].
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bao:BAO_0000208 [^bao:BAO_0095000 [rdf:type mmdbvoc:InhibitionAssay;
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sio:SIO_000300 repr:PositiveResult]].
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?inhibitor rdf:type bao:BAO_0000076;
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rdfs:label ?label;
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sio:SIO_000008 [rdf:type sio:CHEMINF_000059;
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sio:SIO_000300 ?InChIKey];
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sio:SIO_000008 [rdf:type sio:CHEMINF_000018;
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sio:SIO_000300 ?SMILES].
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?ref bibo:pmid ?source_pmid
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OPTIONAL {?inhibitor sio:SIO_000008 [rdf:type sio:CHEMINF_000421;
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OPTIONAL {?ref bibo:doi ?source_doi}
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OPTIONAL {?inhibitor sio:SIO_000008 [rdf:type sio:CHEMINF_000412;
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sio:SIO_000300 ?chembl_id]}
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OPTIONAL {?inhibitor sio:SIO_000008 [rdf:type sio:CHEMINF_000407;
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sio:SIO_000300 ?chebi_id]}

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