Thomas Coudrat
tomsilico.bsky.social
Thomas Coudrat
@tomsilico.bsky.social
Computational chemistry and AI for drug design in biotech #compchem | CSIRO, Melbourne AU
Here's a new one with an interesting overlap bsky.app/profile/yiec...
I made a MD starter pack! Dm or reply to be added ☺️☺️

go.bsky.app/QQjPjbL
November 23, 2024 at 2:40 AM
You might find some of these of interest, cheers bsky.app/profile/ckel...
November 20, 2024 at 12:06 PM
Also note this alternative federated learning approach talk at the RDKit UGM: www.youtube.com/watch?v=Y1mj...
paper: pubs.acs.org/doi/10.1021/...
Andrea Andrews-Morger: Federated learning in computational toxicology
YouTube video by RDKit
www.youtube.com
November 19, 2024 at 1:51 AM
Interesting thread! I'll add Novartis' recent approach of releasing "surrogate datasets", which are publicly available molecules for which they ran their internal model's predictions: 16K on 4 CYP inhibition assays, 274K on 25 ADME end points. See this talk: youtu.be/LPYk1Jy2E1c?...
November 19, 2024 at 1:48 AM
Thank you! And yes I'm following Andreas' YouTube channel, cheers
November 18, 2024 at 3:44 PM
I'm surprised I didn't know about this before, seems like a great series. Are seminars recorded by any chance? And thanks for posting cheminformatics course content too, I might use this for future students!
November 18, 2024 at 3:22 PM
Could you please add me? Thanks for starting this one!
November 18, 2024 at 3:01 PM
You could add @farzanejp.bsky.social too
November 17, 2024 at 5:47 PM