Gerard JP van Westen
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gjpvwesten.bsky.social
Gerard JP van Westen
@gjpvwesten.bsky.social
KNCV Gold Medal 2023.
Exploring drug space with AI 💪,
Professor of AI & Med Chem in Leiden, Computational Drug Discovery, http://cddl.nl, Opinions are my own.
Reposted by Gerard JP van Westen
September 10, 2025 at 3:51 PM
Reposted by Gerard JP van Westen
New @chemrxiv.bsky.social preprint!

RoboChem-Flex is a powerful, low-cost (<5k EUR), modular self-driving lab for chemical synthesis

We showcase 6 studies (photochemistry, biocatalysis, cross coupling, ee ...), all optimized with different configurations & ML

🔗 chemrxiv.org/engage/chemr...
July 10, 2025 at 3:06 PM
Reposted by Gerard JP van Westen
we are very happy to relay that the CSA Trust has decided to award the Mike Lynch award to Prof. Val Gillet who will be giving a keynote lecture at our #iccs2025 opening session https://csa-trust.org/2025/05/23/mike-lynch-award-2025-val-gillet/
Mike Lynch Award 2025: Val Gillet
In recognition of her pioneering research in chemical structure analysis, visionary educational leadership, and enduring dedication to advancing scientific collaboration, Professor Val Gillet has been awarded the 2025 Mike Lynch Award by the Trustees of the CSA Trust. The Trustees are proud to honor Professor Gillet for her outstanding and innovative contributions to the field of Chemoinformatics. Her influential body of work – widely cited and highly regarded – has shaped the Chemoinformatics landscape and driven progress in pharmaceutical research and development. In parallel with her research achievements, Professor Gillet has played a central role in building and refining the Chemoinformatics educational program at the University of Sheffield. Under her supervision, the program has earned international recognition as a hub of excellence for research and training. She is also co-author of a foundational textbook that remains a key reference in the field. Beyond her academic accomplishments, Professor Gillet has been instrumental in fostering collaboration and visibility within Chemoinformatics. Her longstanding support of the Cheminformatics Conference in Sheffield and the International Conference on Chemical Structures in Noordwijkerhout has helped elevate them to the field’s most prominent international gatherings. Val Gillet is a Professor of Chemoinformatics at the University of Sheffield, where she leads the Chemoinformatics Research Group within School of Information, Journalism and Communication. https://www.linkedin.com/in/val-gillet-15a60429/ https://www.sheffield.ac.uk/ijc/people/val-gillet The CSA Trust is an internationally recognized, registered charity that promotes education, research, and development in fields related to chemical structures and cheminformatics. ### Share this: * Click to share on X (Opens in new window) X * Click to share on Facebook (Opens in new window) Facebook * Like Loading... ### _Related_
csa-trust.org
May 23, 2025 at 5:55 PM
Reposted by Gerard JP van Westen
the next International Conference on Chemical Structures, edition 14, will be held in the week of June 11-15 2028!

#iccs2025 #iccs2028
June 5, 2025 at 3:43 PM
Reposted by Gerard JP van Westen
Come and join us for an other exciting @led3hub.bsky.social Lecture by @jpoverington.bsky.social on March 27th.
We are looking forward to the LED3 Lecture of @jpoverington.bsky.social from @drughunter.com on March 27th at 4 p.m. He will talk about "Drug Discovery - the use of data and algorithms in discovery". If you are interested, please come by: www.universiteitleiden.nl/en/science/l...
March 14, 2025 at 6:13 AM
Looking forward to these talks!
Two amazing @led3hub.bsky.social Lectures are coming up:

On March 17th, Jeff Kelly will talk about tackling neurodegenerative diseases.

On March 27th, John Overington will talk about the power of data in Drug Discovery.

Come by, if you are interested!
www.universiteitleiden.nl/en/science/l...
March 12, 2025 at 8:46 AM
#NietDeSpeld… toch @speld.nl ?

“Bedrijven in de duurzame energiesector willen uitzondering stikstofregels”

nos.nl/artikel/2559...
Bedrijven in de duurzame energiesector willen uitzondering stikstofregels
Het kabinet zou bij de bouw van duurzame energieprojecten een uitzondering moeten maken op de stikstofregels, vinden betrokken bedrijven.
nos.nl
March 12, 2025 at 7:30 AM
The latest from CDD Leiden!

Towards assay-aware bioactivity model(er)s: getting a grip on biological context

We show how including assay descriptors in PCM models improves performance.

chemrxiv.org/engage/chemr...
March 11, 2025 at 5:10 PM
It is time…
March 5, 2025 at 3:45 PM
Reposted by Gerard JP van Westen
We are very happy to inform you all that we received > 160 abstracts for the upcoming ICCS! From the submissions the program committee and the scientific advisory board will select around 30 papers for the plenary sessions. All submissions that cannot be included in the plenary sessions will be […]
Original post on social.edu.nl
social.edu.nl
March 1, 2025 at 11:02 AM
The ICCS has currently close to 100 submitted abstracts and already over a 100 registrations. There is 1 day left to submit an abstract after which the SAB will review them for an exciting program. #ICCS2025

See you there? iccs-nl.org
ICCS – International Conference on Chemical Structures
iccs-nl.org
February 27, 2025 at 11:25 AM
NIH peer review percentile scores are poorly predictive of grant productivity.
"...observations suggest that despite the ability of reviewers to discriminate between strong grant applications and the remainder, they have limited ability to predict future productivity..."
doi.org/10.7554/eLif...
February 17, 2025 at 2:25 PM
The ICCS website is updated with the preliminary program. Have a look!

Registration (via conftool) is also opened. Remember the abstract deadline is Feb 28th ..!

iccs-nl.org/general-info...
February 15, 2025 at 3:18 PM
We're starting to have a conference! Very much looking forward to this event...

CC: @led3hub.bsky.social
We are very happy to confirm sponship of the ICCS by:

- Chemical Computing Group (Premier sponsor)
- Chemaxon (Platinum sponsor)
- Cresset (Silver sponsor)

Thank you very much for the support of our great conference!

We are currently talking to other […]

[Original post on social.edu.nl]
February 15, 2025 at 3:17 PM
Now viewing the talk of Kelly Chibale part of the #LED3LUCID symposium in honor of the @unileiden.bsky.social 450 year dies natalis.
February 6, 2025 at 1:20 PM
Reposted by Gerard JP van Westen
Insightful talk by Miquel Duran-Frigola at the #LED3LUCID Symposium. He talked about making powerful computational tools available to researchers in the Global South through the Ersilia Open Source Initiative. (1/3)
www.nature.com/articles/s41...
February 6, 2025 at 10:51 AM
Reposted by Gerard JP van Westen
How do the structure and the dynamics of proteins dictate their molecular function?

In her @led3hub.bsky.social Keynote Lecture at the #LED3LUCID Symposium, Paola Picotti gave insights into her group's amazing research in this field. Great insights into the use of LiP-MS-based proteomics. (1/6)
February 6, 2025 at 11:42 AM
Reposted by Gerard JP van Westen
How can we efficiently explore the vast chemical space for drug discovery?

In his talk at the #LED3LUCID Symposium, @gjpvwesten.bsky.social of the @led3hub.bsky.social talked about how his group uses the power of AI to contribute to the solution of this challenge. (1/4)
February 6, 2025 at 10:26 AM
Dit is toch de kip met de gouden eieren slachten? Deze promovendi vormen bij mijn weten geen netto kosten post maar een baten post over de hele looptijd…

www.mareonline.nl/nieuws/uni-w...
Universiteit wil vaste tarieven voor beurs- en buitenpromovendi
Het college van bestuur wil dat beurs- en buitenpromovendi een vast bedrag gaan betalen. Ook worden PhD’s die te weinig geld meebrengen geweerd. ‘Wordt dit gebruikt om de gehate bezuinigingen op te va...
www.mareonline.nl
February 1, 2025 at 6:15 PM
Can someone tell me why I can only update @microsoft.com office software on my mac if I allow autoupdate to launch at startup? why not enabling is called a problem? why I can only get rid of this prompt by killing autoupdate in system monitor?

Very bad behavior but typical ...
January 30, 2025 at 3:22 PM
We have set-up and tested an integrated coding environment for students at LACDR. Using the noteable platform, integrated with Brightspace, teach them coding in R and Python via Jupyter notebooks (including docking and 3D!)

Reach out we want to share!
www.staff.universiteitleiden.nl/news/2025/01...
LACDR introduces ‘Digital Labcoat’ for Biopharmaceutical Sciences students - Leiden University
Learn to program, gain knowledge of AI methods, or use it in a research project at the LACDR. With the introduction of the innovative digital learning environment ‘Digital Labcoat’, Biopharmaceutical ...
www.staff.universiteitleiden.nl
January 30, 2025 at 9:43 AM
Looking forard to this event next week!
LSBP The Future of Health Congress

leidenbiosciencepark.nl/events/the-f...
The Future of Health Congress
leidenbiosciencepark.nl
January 29, 2025 at 2:52 PM
The ICCS website is updated with the preliminary program. Have a look!

Registration (via conftool) is also already opened. Remember the abstract deadline is valentine's day (Feb 14th) ..!

iccs-nl.org/general-info...
January 28, 2025 at 3:08 PM
Reposted by Gerard JP van Westen
Some mistakenly believe AI can easily create magic solutions, without understanding the need for high-quality data.

The success of AlphaFold was made possible by 50 years of prior work gathering protein structures into a rich database (Protein Data Bank launched in 1971) 3/
January 24, 2025 at 10:25 PM