*** Cambridge Cheminformatics Meeting *** 3 Sep 2025, Hybrid Mode! Free/open to all - join us and circulate further! Registration via c-inf.net Generously hosted again by the @ccdc.cam.ac.uk and live on Zoom Please join, circulate & hope to see you there! Andreas @macinchem.bsky.social

Closing the loop on #GenAI for #GPCR #SBDD www.nature.com/articles/s41... tinyurl.com/yeyhfr7j

Identification of nanomolar adenosine A2A receptor ligands using reinforcement learning and structure-based drug design - Nature Communications

Here the authors combine a deep generative model with structure-based drug design and prospectively validate functionally active, nanomolar, A2A adenosine receptor ligands and solve their crystal stru...

nature.com

UAE Drug Discovery and Biotech Network – Inaugural Meeting! 4 June 2025, 1-4.30pm GST, on Zoom – free & open to all We wish to create a network of translationally interested scientists to advance drug discovery & biotech, from research to applications More info: genetic.ae - join in & circulate!

*** COMING NEXT WEEK *** Cambridge Cheminformatics Meeting - 23 Apr 2025, Hybrid Mode! Free and open to all - join in & circulate! *** Life as a Chief Data Science Officer *** Flagging High Risk Chemicals Using ML *** Improving ML Scoring Functions via Augmented Data Hope to see you there! Andreas

I'm speaking at Abu Dhabi Global Health Week (ADGHW) 2025, taking place from 15 - 17 April at ADNEC Centre Abu Dhabi. Please join in, and let me know if you wish to meet up in person during the event! Link for registration in first comment below - hope to see you at ADGHW! Best wishes, Andreas

The 'Google Co-Scientist' claims to be 'Accelerating scientific breakthroughs with an AI co-scientist' But does it? A closer look at its scientific validation as currently reported Please share and let me know if you have any comments, cheers! Andreas www.drugdiscovery.net/2025/02/20/t...

Cambridge Cheminformatics Meeting - 19 Feb 2025, Hybrid! *** Nanomolar A2A Ligands by Reinforcement Learning *** Reversible Simulation for Training Classical and ML Force Fields *** A Whirlwind Tour of Gaussian Processes for Chemistry cam-ac-uk.zoom.us/meeting/regi... Join us & circulate!

The next Cambridge Cheminformatics Newsletter, December 2024 Edition is out! Containing upcoming related events, news jobs and resources For details please see: www.drugdiscovery.net/2024/12/22/c... Have a good Christmas/Holiday period everyone! All the best and see you in 2025, Andreas

I am speaking at CPHI Middle East in Riyadh this week, on "Artificial Intelligence Across Modalities - Small Molecules, Antibodies/Proteins, and Cell and Gene Therapy" Please don't hesitate to get in touch if you are interested in AI & drug discovery! Cheers, Andreas www.cphi.com/middle-east/...

This clearly illustrates the value of thorough editorial processes and peer-review... a must-read, brought to you by ... Elsevier 🙂!

Thorn-Seshold Lab@thornsesholdlab.bsky.social · 2y ago

Wishing the Elsevier editors who desk-accepted this all the best for their next career moves. doi.org/10.1016/j.ij...

I just joined Bluesky as well... let's rebuild the same nice community in the cheminformatics/comp chem/bioinformatics/drug discovery etc. areas that 'the other place' was in the good old days 😊! Looking forward to reconnecting with people here, Andreas