AI chemist improves a challenging reaction in medicinal chemistry

(openai.com)

23 points by ilreb2 hours ago

3 comments

malchow1 hour ago
Well-run autolabs recursively training discipline-specific models are becoming very valuable assets. I write more about this here:<a href="https://x.com/jmalchow/status/2067298271647904061" rel="nofollow">https://x.com/jmalchow/status/2067298271647904061</a>
- wasabi9910111 hour ago
 Is there a way to read this without a Twitter account?
 - WithinReason11 minutes ago
 <a href="https://xcancel.com/OpenAI/status/2067293746556027376" rel="nofollow">https://xcancel.com/OpenAI/status/2067293746556027376</a>GPT-5.4 reviewed scientific literature, generated and ranked research proposals, helped design experiments, analyzed results, and proposed follow-up studies.Human chemists steered the work, selected proposals for testing, and validated the final result.Maria [AI] tested the idea across 10,080 reactions, and human chemists later validated representative results by hand.Under the optimized conditions, yields improved for 88% of the boronic acids and 83% of the sulfonamides tested.Human chemists then repeated 14 representative reactions by hand: 11 showed higher yields, including 8 with a more than twofold improvement.The full process took about 2.5 months, plus another half month for human chemists to write up the results.
 - malchow11 minutes ago
 <a href="https://www.linkedin.com/pulse/bicycle-joseph-malchow-liv9c/" rel="nofollow">https://www.linkedin.com/pulse/bicycle-joseph-malchow-liv9c/</a>
 - FigurativeVoid38 minutes ago
 It looks like xcancel doesn't support articles yet. There may be another service?
gnabgib24 minutes ago
No such thing as an AI chemist (a chemist being someone who has a degree in chemistry or related), oh that's not even the title. Near-autonomous AI chemist improves challenging reaction in medicinal chemistry
- cml12319 minutes ago
 I also had a strong reaction to the title from their research blog; too anthropomorphic. Model, agent, or system don't have the same personification.
- readthenotes118 minutes ago
 I noticed the Wikipedia article so that it was a "graduated scientist" (outside of UK).It made me wonder what other professions require an associate's degree or better to be able to claim the profession without some sort of modifier, such as licensed physician, or Master plumber...
- Xmd5a20 minutes ago
 are you a chemist?
 - IAmBroom7 minutes ago
 That has no bearing. I am not a Medical Doctor, but I know that AI cannot be an MD.
refurb15 minutes ago
As a former chemist, what's old is new again!It's basically high through put screening plus an AI engine to map out the "variable space".Back in 1990 when robotics became more reliable we did the same thing. The only difference is a trained chemist would determine what variables would be altered.It's not that hard to do, it doesn't take that much brain power, just an understanding of what variables may impact the yield. Claiming AI can now do this isn't all that impressive.