I can use some crowdsourcing help 2/
Step 2: lookup the "molNumber" from the URL, e.g. molNumber/10016819
Step 3: look for the wikidata link under "Additional information" and click it
Step 4: add the molNumber (e.g. 10016819) to Wikidata with the property P9405, e.g. as in https://wikidata.org/wiki/Q81986394#P9405
Just one or two is fine! But the more the merrier!
Thank! 2/2
I can use some crowdsourcing help from people (chemists particularly) interested in #wikidata:
Wikidata has an external ID for the NMRShiftDB but the database is not CCZero so that I cannot automate adding the NMRShiftDB molecule IDs to Wikidata... but we can do this by hand. DuckDuckGo has a nice list:
https://duckduckgo.com/?q=wikidata+site%3Anmrshiftdb.nmr.uni-koeln.de&t=brave&ia=web
Step 1: open one of the search hits 1/
@adafede outcome, https://scholia.toolforge.org/topic/Q18720369 is the true teixobactin (well, according to our validation against databases like CAS)
doing some stereochemistry curation with @adafede ... which is the stereoisomer matching the name ...
huge news for chemists interested in #wikdiata! "Wikidata now escapes SMILES and CXSMILES!" https://chem-bla-ics.blogspot.com/2022/08/wikidata-now-escapes-smiles-and-cxsmiles.html
Huge thankx to Nikki and Adriano to make this happen.
new: "Biology, ACPs, lipids, cheminformatics, and Dagstuhl" https://chem-bla-ics.blogspot.com/2022/08/biology-acps-lipids-cheminformatics-and.html
Brian Brettschneider:
' "... but the 1930s were warmer." A common refrain from climate change deniers. Here's a map showing where the 1930s (1930-1939) were warmer than the 2010s (2010-2019) using NASA GISTEMP data. Areas in orange were warmer in the 1930s.'
https://nitter.net/Climatologist49/status/1553464919562932224
new: "Extracting triples from HTML+RDFa pages" https://chem-bla-ics.blogspot.com/2022/07/extracting-triples-from-htmlrdfa-pages.html
@WikiPathways edit 123456 :) https://www.wikipathways.org/index.php?title=Pathway%3AWP4189&diff=123456&oldid=120000
wondering where these obsolete classes are coming from and how I can get rid of them... can Protégé tell me that? https://bioportal.bioontology.org/ontologies/CHEMINF/?p=classes&conceptid=http%3A%2F%2Fwww.geneontology.org%2Fformats%2FoboInOwl%23ObsoleteClass
we just passed the 1.3M InChIKeys in #wikidata https://scholia.toolforge.org/statistics
And stats from https://scholia.toolforge.org/chemical/:
45 thousand mass spectra
31 thousand melting points
22 thousand crystal structures
1015 boiling points
231 pKa values
29 NMR spectra
blog: "April 2022: #cdk20y", a short Chemistry Development Kit meeting report https://chem-bla-ics.blogspot.com/2022/07/april-2022-cdk20y.html
This has been around a while, but if you want to automatically check external IDs and URLs of a @wikidata@twitter.com item as potential references, and add them with a single click, try my Referee script:
after way too long debugging I pinpointed the #bioclipse bug (deleting distributed material is evil. Yes, looking at you Eclipse).
But it looks we're back in business. Now I only need to get pybacting working again too.
Fwd: "BridgeDb NWO grant update #4: Bioregistry.io and a BioSB workshop" https://chem-bla-ics.blogspot.com/2022/07/bridgedb-nwo-grant-update-4.html #openscience #bridgedb #wikidata
Chem/Bio/Stats/SemWeb, @the_cdk, @wikipathways, @bigcat_um, @MaastrichtU (these tweets are personal)