Gerard JP van Westen
@gjpvwesten.bsky.social
1.5K followers 68 following 51 posts
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.
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Reposted by Gerard JP van Westen
noelgroupuva.bsky.social
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...
Reposted by Gerard JP van Westen
intconfchemstr.social.edu.nl.ap.brid.gy
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
Reposted by Gerard JP van Westen
intconfchemstr.social.edu.nl.ap.brid.gy
the next International Conference on Chemical Structures, edition 14, will be held in the week of June 11-15 2028!

#iccs2025 #iccs2028
Photo of Gerard van Westen on stage and the "Save the Date!" slide announcing ICCS 2028, from June 11th to June 15th and the hashtag for that meeting: #ICCS2028
gjpvwesten.bsky.social
Ik volg dit niet helemaal, de genoemde stemming is 29 jaar geleden en het gedeelde NRC artikel is bijna 8 jaar oud. Heeft Rutte hier recent iets over gezegd dat je dit nu opbrengt?
Reposted by Gerard JP van Westen
stephanhacker2.bsky.social
Come and join us for an other exciting @led3hub.bsky.social Lecture by @jpoverington.bsky.social on March 27th.
led3hub.bsky.social
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...
gjpvwesten.bsky.social
True, but my reasoning was usage of an open system (owncloud) that allows also web based editing based on an open protocol (webdav).

And indeed, not having the AI system is great. Note that there is an extensive collection of plugins and added functionality.
gjpvwesten.bsky.social
Looking forward to these talks!
stephanhacker2.bsky.social
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...
gjpvwesten.bsky.social
Go for it! Changed to obsidian connected to a webdav host 2 years ago. No regrets, cross platform and offline access.
gjpvwesten.bsky.social
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...
Reposted by Gerard JP van Westen
intconfchemstr.social.edu.nl.ap.brid.gy
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
gjpvwesten.bsky.social
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
gjpvwesten.bsky.social
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...
gjpvwesten.bsky.social
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...
gjpvwesten.bsky.social
We're starting to have a conference! Very much looking forward to this event...

CC: @led3hub.bsky.social
intconfchemstr.social.edu.nl.ap.brid.gy
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]
Logo of the sponsor Cresset. Logo of the sponsor Chemaxon. Logo of the sponsor Chemical Computing Group.
gjpvwesten.bsky.social
Now viewing the talk of Kelly Chibale part of the #LED3LUCID symposium in honor of the @unileiden.bsky.social 450 year dies natalis.
Reposted by Gerard JP van Westen
stephanhacker2.bsky.social
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...
Reposted by Gerard JP van Westen
stephanhacker2.bsky.social
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)
Reposted by Gerard JP van Westen
stephanhacker2.bsky.social
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)