Egon Willighagen

@egonw.social.edu.nl.ap.brid.gy

This account is used for tooting conferences and about the Dutch academic system. Sometimes Dutch. Toots are personal and searchable. he/him

🌉 bridged from ⁂ https://social.edu.nl/@egonw, follow @ap.brid.gy to interact

@beilsteininstitut.hessen.social.ap.brid.gy Oct 14, 2026, 2:04 PMReposted by @egonw.social.edu.nl.ap.brid.gy

No code needed: our open-source tool BChemXtract now has a web interface, BChemXtractWeb.

✅ Extracts structures from CDX/CDXML files
✅ Generates SMILES, InChI, InChIKey, and formula
✅ Links to PubChem
✅ Exports to SDF, Molfile V3000, and JSON

🔗 […]

[Original post on hessen.social]

@egonw.social.edu.nl.ap.brid.gy Oct 14, 2026, 5:41 AM

War is a choice. A choice of Putin of Trump. Of others. It is not inevitable, it is not human nature. It is a choice to let people in charge to do not mind to see their other people die

@wikipathways.fosstodon.org.ap.brid.gy Oct 11, 2026, 2:02 PMReposted by @egonw.social.edu.nl.ap.brid.gy

October 2026 WikiPathways update: 30 edits in 45 pathways by 5 contributors, including 12 new pathways and 2 new species (Bombyx mori and Apis cerana): https://www.wikipathways.org/index.php/Download_Pathways

#bioinformatics #openscience #opensource

More news at […]

@egonw.social.edu.nl.ap.brid.gy Oct 11, 2026, 9:21 AM

the possible risks of new scientific knowledge is not limited to natural sciences. Our knowledge about the human brain, our knowledge of society, very much too. Just think political ads. "Encouraging Americans to hate one another is an unfortunate side effect." -- Lieberman and Long

@egonw.social.edu.nl.ap.brid.gy Oct 11, 2026, 9:11 AM

SPARQL endpoints are probably the most dopaminergic API currently existing

@magnusmanske.wikis.world.ap.brid.gy Oct 10, 2026, 1:50 PMReposted by @egonw.social.edu.nl.ap.brid.gy

The QuickStatements database was by far the largest one on Toolforge, weighing 274GB in mostly one table. I have now archived all jobs older than 3 months, and will continue to do so. If you access an older job, it be transparently loaded back into the database, so nothing changes for you […]

@egonw.social.edu.nl.ap.brid.gy Oct 10, 2026, 7:33 AM

great example of where we are. After 20 years, we are finally landed: high quality data is essential, we provide an API on top of that, and then any view on top of that is easily made in whatever flavor of use is trivial

#bioinformatics #biology

@elizabethjacobs.bsky.social Oct 8, 2026, 12:51 PMReposted by @egonw.social.edu.nl.ap.brid.gy

It’s simply unimaginable that CDC Director Dr. Erica Schwartz has just bowed to RFK Jr. and approved funding for an utterly unethical clinical trial that will withhold the birth dose of HepB vaccine in Guinea Bissau. It is to be conducted by researchers accused of academic misconduct.

@egonw.social.edu.nl.ap.brid.gy Oct 8, 2026, 5:38 AM

For any sufficiently uneducated human, anything remotely magical must be super-intelligent.

@brembs.mastodon.social.ap.brid.gy Oct 6, 2026, 4:58 PMReposted by @egonw.social.edu.nl.ap.brid.gy

Wonderful new work from Tom Clandinin's lab on how an animal's internal neural activity decides whether to react to external stimuli or to ignore them: "Unique neural activity states predict action selection in response to visual threat" […]

@egonw.social.edu.nl.ap.brid.gy Oct 5, 2026, 8:33 AM

new blog post: "Open Science and Recognition & Rewards" https://chem-bla-ics.linkedchemistry.info/2026/10/05/open-science-recognition-and-rewards.html

#openscience #recognition #rewards

"Now, because open science and team science are used a lot in the Theme Bioinformatics of our Department of […]

@egonw.social.edu.nl.ap.brid.gy Oct 3, 2026, 8:40 AM

new blog: "New paper: "ToxTempAssistant: using large language models to standardise cell-based toxicological test method descriptions"" […]

[Original post on social.edu.nl]

Screenshot of the acceptance note of the article, as archived on Zenodo by the journal. It shows the publisher code of the submission ("TEBT-2025-0014") and below that a colored table with blue, yellow, and green rows, with various bits of information, including the submission title, handling editor, number of reviewers (3), preprint DOI, evaluation stage, and final recommentation ("Accept").

@egonw.social.edu.nl.ap.brid.gy Oct 3, 2026, 4:39 AM

just saw a book published two weeks ago with a chapter with this title: "Methods of Bioinofrmatics and Chemoinformatics in Drug Dvelopment" The chemoinformatics (with an o) is going strong!

@egonw.social.edu.nl.ap.brid.gy Oct 2, 2026, 12:09 PM

TIL I learned why I dislike competitions and winning. I hate the dopamine crash that follows.

@lipidmaps.bsky.social Oct 2, 2026, 9:15 AMReposted by @egonw.social.edu.nl.ap.brid.gy

😊 Want a reason to smile? Look no further than Anandamide (AEA) = the body's very own "bliss molecule"! This lipid neurotransmitter regulates mood, anxiety, and happiness. Wear a smile today and thank your endogenous lipid signaling! 🧠✨

lipidmaps.org/databases/lm...

#WorldSmileDay #LipidMAPS

@egonw.social.edu.nl.ap.brid.gy Oct 2, 2026, 7:25 AM

TIL about DrugRxiv, a new preprint service for drug repurposing: https://drugrepocentral.scienceopen.com/collection/DrugRxiv

#openscience #drugDiscovery #chemistry

First thoughts:
1. I think these preprints would fit well on ChemRxiv too.
2. nice to see @Science_Open is alive and kicking!
3 […]

@egonw.social.edu.nl.ap.brid.gy Oct 2, 2026, 5:46 AM

the Dutch Virtual Human Platform 4 Safety (VHP4Safety) project has a series of webinars upcoming. https://www.sciencrew.com/c/6594/a/335726953?title=Webinar_series_Discover_the_Virtual_Human_Platform

#toxicology #safety #nederlandseWetenschapsAgenda

"Save the date" infographics for the "VHP4Safety Webinar Series" showing three colored hexagons with the three date/times of the three webinars and next to that the three webinar titles. All on a light blue background. Full details:

Introduction to the VHP
14 October 2026, 13:00 to 14:30 CEST

The first webinar will introduce the VHP4Safety project and the Virtual Human Platform. Participants will see how the platform works, explore its tools and learn how it can support safety assessment workflows. The programme will include a live demonstration of the platform and an example of how it was used to address a regulatory question related to thyroid hormone-mediated brain development.

Deep dive into the Parkinson's case study
28 October 2026, 13:00 to 14:30 CET

The second webinar will focus on VHP4Safety’s Parkinson’s case study. Speakers will explain how the Virtual Human Platform brings together in vitro research, Adverse Outcome Pathways, experimental data and available methods to support risk assessment, as demonstrated through the Parkinson’s case study.

From innovation to implementation
18 November 2026, 13:00 to 14:30 CET

The final webinar of the VHP4Safety webinar series will focus on the social side of building the VHP, including user research supporting the development and implementation of the Virtual Human Platform. It will also examine the public acceptance of computational models and artificial intelligence in risk assessment. The webinar will show how stakeholder needs and perspectives can support the development of tools that are scientifically robust, transparent and fit for purpose.

@avogadro.cc Oct 1, 2026, 6:12 PMReposted by @egonw.social.edu.nl.ap.brid.gy

What's this? Avogadro2 in a web browser?!

#compchem #opensource #prototype

@supersciencegrl.co.uk Sep 30, 2026, 8:36 PMReposted by @egonw.social.edu.nl.ap.brid.gy

Sadly my Sichuan peppercorns (a little expired...) are no longer giving that lovely mala effect :( they still add some flavour but that's about it so I guess I need new spice.

Here's the compound allegedly responsible for the effect; I wonder what it's degraded to?
en.wikipedia.org/wiki/Hydroxy...

@supersciencegrl.co.uk Oct 1, 2026, 11:22 AMReposted by @egonw.social.edu.nl.ap.brid.gy

Yes ACS it's called writing a citation-dense section of a publication 🙄 I guess JOC is off-limits for hopefully just a few minutes...

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