We already have some exciting speakers lined up for the 7th @RSC_CICAG / @RSC_BMCS Artificial Intelligence in Chemistry Symposium this September 16-18, 2024, including: • John Jumper, Google DeepMind, UK • Heather Kulik, MIT, USA … https://t.co/C39j4RdhjU #AIChem24 1/n

"it's just a tool though, isn't it?" "no it's not, no - it's an alien life form" David Bowie's insights on the internet from 1999 sound exactly like he's talking about AI today

Congratulations to @isakvals on winning the prestigious People’s Poster Prize at the RSC’s 7th "AI in Chemistry" symposium! 🔎Ísak’s research is on developing the AEV-PLIG method within @gmm's group 🔗: https://t.co/vTnJAqIuRc #AIChem24

Posebusters, work by Martin @Buttenschoen, Garrett Morris (@gmm) & Charlotte Deane that identifies physically implausible molecular binding predictions, was featured by @nathanbenaich and @airstreet Capital in this year's State of AI Report. Full report:

Congratulations to @isakvals on winning the RSC’s 7th AI in Chemistry People’s Poster Prize today! :-) Very proud of Ísak and his hard work developing AEV-PLIG in my group: https://t.co/KqpVFsg3vg Great collab w/ @philbiggin @matthewthwarren & @aniket_magarkar #AIChem24 #AI

@arun_raja007 Finally, Yael Ziv gave a talk on her recent work MolSnapper, which demonstrates how diffusion models can be effectively conditioned for structure-based drug design. Check out the preprint here:  https://t.co/QXqOLx9dQ6

Finally, @arun_raja007 has explored the effectiveness of quantum chemistry pre-training GNNs for pharmacological property prediction https://t.co/imEbO9SEG1

@LucyVost tells us how we can improve chemical plausibility in 3D molecule generation via conditional training with distorted molecules (preprint coming soon!)

First the posters! @isakvals is presenting his recent work on AEV-PLIG, a machine learning scoring function for binding affinity prediction https://t.co/7E81j7BTpc

OPIGlets are out in force at #AIChem24, organised by our very own @gmm DPhil students @LucyVost, @arun_raja007 and @isakvals are presenting posters, and Yael is giving a talk about her recent work MolSnapper on Wednesday! Please come and chat to them!

we made this:

We also have RSC bursaries for students and unwaged attendees. Thank you to our early sponsors, @AstraZeneca, and exhibitors, @BioAscent. If you're interested in sponsoring or exhibiting or want to learn more: https://t.co/C39j4RdhjU #AIChem24 6/n

Registration is now open: https://t.co/C39j4RdhjU You can also submit your abstracts for oral presentations and/or flash talks and poster presentations; deadlines: • Oral: Midnight (BST), Friday, 12 April 2024; • Posters: Midnight (BST), Friday, 3 May, 2024. #AIChem24 5/n

The AI in Chemistry Workshop is designed to bring both scientists new to the field and current practitioners up-to-date with the latest developments and best practices in AI in Chemistry. It will be led by Pat Walters @wpwalters & Andrea Volkamer. #AIChem24 4/n

• Francesca Grisoni, Eindhoven University of Technology, Netherlands We’re returning to the great venue of Churchill College, Cambridge—but this year our meeting has expanded to 3 days and will begin with a Workshop… #AIChem24 3/n

• Pat Walters, Relay Therapeutics, USA • Andrea Volkamer, University of Saarland, Germany • Emma King-Smith, University of Cambridge, UK • Alexis Molina, Nostrum Biodiscovery, Spain • Eva Nittinger, AstraZeneca, Sweden … https://t.co/C39j4RdhjU #AIChem24 2/n

We're delighted to be hosting @dr_greg_landrum on Mon Nov 20th at Comp Chem Kitchen CCK-20 — 5 pm GMT in @OxfordStats 24-29 St Giles', OX1 3LB; register for Zoom. Refreshments at 4:30 pm. https://t.co/tcOmfBkCph @CompChemKitchen @philbiggin @coopallographer @fjduarteg @bobbypaton

We are excited - and proud - report that, over the last 9 months, BDB curated and shared103K open-access, machine-readable protein-ligand binding data, melding it with the 74K new binding data curated by ChEMBL, for a total 177K increase in our holdings.

Talk: "John Mayfield: Managing and Searching One Trillion Compounds" presented at UCSF DOCK Meeting. #cheminformatics #Arthor #SmallWorld https://t.co/kEH64OluMq

The new PoseBusters paper does some super neat docking experiments! https://t.co/oxZIoWP5cP E.g. how DL methods generalize to different levels of seq similarity. And impact of relaxing DL structures on steric clashes etc. captured in the PoseBusters score.