Egon Willighagen

Results 303 comments of Egon Willighagen

hi @stuchalk, yes, a PR is most welcome!

This may be solved by the patch from March 2: opening the ontology in Protege still shows obsolete classes, but no longer with subclasses (from the CHEMINF ontology). Final confirmation...

> It is possible to regenerate a structure from InChI, but this has some [limitations](https://www.inchi-trust.org/technical-faq-2/#16.9), as the InChI is an Identifier by design and not a structural representation such as...

Hi, can I help? Would a mapping file linking InChIKey to WikiPathways ID help? cc @DeniseSl22

> on a related note: I am currently working with two marine microalgae that are not extensively studied for their metabolic potential hence there is few information on them in...

> @egonw Thanks for this PR and the pointer to this interesting dataset. I have a couple of questions: Thanks for the quick reply! > 1. Why is the RDF...

The RELEASE info is actually in the VoID header file, and the latest version is always in this URL: https://data.wikipathways.org/current/rdf/wikipathways-rdf-void.ttl I just need to update this QLeverfile to extract the...

@AlasdairGray, I guess a good first step forward is to have that aggregator website you just showed crawl the MassBank website and extract the chemical structures and data record JSON-LD.

This is the CSV format I use now: ```csv PUBCHEM_EXT_DATASOURCE_REGID,PUBCHEM_SUBSTANCE_SYNONYM,PUBCHEM_EXT_SUBSTANCE_URL,PUBCHEM_EXT_DATASOURCE_SMILES Q127900,β-lactose,https://tools.wmflabs.org/scholia/Q127900,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O Q128381,harmine,https://tools.wmflabs.org/scholia/Q128381,CC1=NC=CC2=C1NC3=C2C=CC(=C3)OC Q128540,zirconyl chloride,https://tools.wmflabs.org/scholia/Q128540,[Cl-].[Cl-].[O].[Zr+2] Q129163,tin(IV) oxide,https://tools.wmflabs.org/scholia/Q129163,O=[Sn]=O Q130175,butane-1-selenol,https://tools.wmflabs.org/scholia/Q130175,CCCC[SeH] Q130336,phenol,https://tools.wmflabs.org/scholia/Q130336,C1=CC=C(C=C1)O Q130365,riboflavin,https://tools.wmflabs.org/scholia/Q130365,CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O Q131189,propane,https://tools.wmflabs.org/scholia/Q131189,CCC Q131994,veratrole,https://tools.wmflabs.org/scholia/Q131994,COC1=CC=CC=C1OC ```

> To me it seemed even if I pasted a link to a toot from server B, server A didn't show it as a toot, just a regular link. (I...