Egon Willighagen

icon indicating a website link https://chem-bla-ics.linkedchemistry.info/

icon company @BiGCAT-UM icon location Maastricht, The Netherlands icon location Open scientist teaching and doing research at Maastricht University.

Results 303 comments of Egon Willighagen

adopt the eNanoMapper Slimmer tool

or that new ROBOT tool?

The podcast-language aspect should be a language-podcast-index aspect

Thanks, yes, that makes sense! I'll make it so

External report: issues with conflicting stereochemistry in identifiers

I want to stress that this is not caused by our data import into Wikidata, not by MassBank. This examples is caused by an merger of two Wikidata items with...

[WIP] Use ConfigParser to allow configuration of the server details

Virtuoso just updated their Wikidata SPARQL endpoint. @fnielsen, can you give me an update please?

Add super linter 1264

> @egonw can you review this? no, I'm afraid not. This is really up to @fnielsen. this is outside my expertise

Upgrade Xerces to 2.12.2 to resolve CVE-2022-23437

@AngledLuffa, while I would personally also like to see an updated dependency, I can see that the https://github.com/elharo/xom/issues/175#issuecomment-1258125277 suggestion actually seems to work pretty well: ```xml xom xom 1.3.8 xerces...

How to generate GUPRIs for chemical compounds, starting from an InChIKey

Author: Egon

Generating InChIKeys for IUPAC names

Published: https://w3id.org/faircookbook/FCB080

Port recipe from BioHackathon Europe 2021 about SwissLipids identifiers into Wikidata

https://github.com/FAIRplus/the-fair-cookbook/pull/424 has been merged in.

Using Wikidata and Scholia to find literature related chemical compounds in a FAIR dataset

Abstract: Finding literature is an important aspect of doing research. While journal articles have keywords, the findability of literature depends on deep indexing (e.g. recording all chemical structure, proteins, genes...