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Import DrugBank-DrugCentral mappings #112
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Thanks @cthoyt ! |
Hi @cthoyt and @caufieldjh, thanks for working on this! Generally, Biomappings only includes mappings that aren't provided by any of the primary sources. I spot checked 10 entries from the new additions to
https://drugcentral.org/drugcard/2995 provides: Ideally, these existing mappings would be filtered out and only novel/missing mappings added. |
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@@ -2822,6 +2822,671 @@ doid DOID:8850 salivary gland cancer skos:exactMatch mesh D012468 Salivary Gland | |||
doid DOID:9335 scotoma skos:exactMatch mesh D012607 Scotoma manually_reviewed orcid:0000-0001-9439-5346 | |||
doid DOID:9383 iridocyclitis skos:exactMatch mesh D015863 Iridocyclitis manually_reviewed orcid:0000-0001-9439-5346 | |||
doid DOID:9675 pulmonary emphysema skos:exactMatch mesh D011656 Pulmonary Emphysema manually_reviewed orcid:0000-0001-9439-5346 | |||
drugbank DB00001 Lepirudin skos:exactMatch drugcentral 2995 lepirudin manually_reviewed orcid:0000-0001-5705-7831 |
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The above is definitely on the DrugCentral website, it's odd that it didn't get filtered out - same for a couple of others that I randomly checked below.
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I also ran into this for most (if not all?) that I checked. I am not sure what's going on/why they aren't in the database's xrefs table but they appear in the site
drugbank DB00013 Urokinase skos:exactMatch drugcentral 5109 urokinase manually_reviewed orcid:0000-0001-5705-7831 | ||
drugbank DB00014 Goserelin skos:exactMatch drugcentral 1327 goserelin manually_reviewed orcid:0000-0001-5705-7831 | ||
drugbank DB00016 Erythropoietin skos:exactMatch drugcentral 5160 epoetin beta manually_reviewed orcid:0000-0001-5705-7831 | ||
drugbank DB00016 Erythropoietin skos:exactMatch drugcentral 5170 epoetin zeta manually_reviewed orcid:0000-0001-5705-7831 |
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The above two rows could be problematic: here, we assign a skos:exactMatch to two separate entries - these mappings that are not one-to-one could either be removed or use a different relation type.
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Next step will be to identify one-many and many-one mappings and flag those for more curation (or just filter)
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Yep, those should probably be skos:narrowMatch
For these sources, here's the relationships for mapping availability:
where "Yes" means at least some mappings are available. |
This PR imports the 3,960 mappings between molecules in DrugBank and DrugCentral that were predicted through exact string matches, manually reviewed by @caufieldjh, and stored in http://kg-hub-public-data.s3.amazonaws.com/frozen_incoming_data/drug-id-maps-0.2.sssom.tsv. Some notes:
pyobo
to add in missing labelsUpdate this PR now filters out drugcentral-drugbank mappings that are already available by querying DrugCentral's postgres database