Robert Paton

Niko did an amazing job this summer! So glad to host his visit

🧪📅 The ACS COMP agenda for #ACSSpring2025 is here! Get ready for cutting-edge sessions in computational chemistry.

Scan the QR code to explore the full schedule 🔍👇
#ACSCOMP #CompChem #Cheminformatics #DrugDiscovery @chemsky.bsky.social

🚨 PLEASE RT 🚨

Are you a comp chem trainee attending Spring ACS in San Diego? Would you like to expand your network with mentors in industry & academia at the COMP Mentor Lunch?

Fill out this form if you are interested in attending!

forms.gle/Sq79TJihHnFW...

Enantioconvergent nucleophilic substitution via synergistic phase-transfer catalysis Nature Catalysis - The catalytic enantioconvergent nucleophilic fluorination of alkyl halides using inexpensive alkali metal fluorides is a persistent challenge. Now this has been achieved by...

Now online @naturecatalysis.bsky.social - fun collab with the @lloydjonesgroup.bsky.social (Edinburgh) & Gouverneur (Oxford) groups
rdcu.be/d9IEQ

Looking forward to training the next generation of data chemists again this Fall - consider applying if you are graduate student interested in #compchem and #cheminformatics

Awesome - I was going to try LLM translation ...

PFAS: Chemische Reaktion mit Licht zerstört die "Ewigkeits-Chemikalien"

www.deutschlandfunk.de/pfas-chemisc...

for o-chem q's such as "how many product isomers formed from the following synthetic sequence" - the numerical answer will be correct, but then the actual predicted structures (SMILES etc) will be absolute gibberish.

... been looking at some of the organic chemistry questions, not convinced by this dataset at all

Learning to Reason with LLMs We are introducing OpenAI o1, a new large language model trained with reinforcement learning to perform complex reasoning. o1 thinks before it answers—it can produce a long internal chain of thought b...

Been hearing a lot about the performance of OpenAI o1
on PhD-level science questions - which is based on the GPQA diamond set of "google-proof" questions (openai.com/index/learni...)

Open access full text link: rdcu.be/d0T3L

‘Forever’ chemicals can be destroyed with clever chemistry — now test these techniques outside the lab Chemistry that can break carbon–fluorine bonds in persistent molecules called PFAS could help to clean up the environment. Testing in real-world settings must come next.

Congrats to our fearless postdoc Mihai Popescu, and thanks to collaborators in the Miyake and Damrauer laboratories, we report a new method to break down #PFAS with visible light in @natureportfolio.bsky.social today:

www.nature.com/articles/d41...