ChefNMR2: generative AI agents elucidate molecular structures from NMR spectra
ZhongingAlong · x · 2026-11-03
The team behind ChefNMR2 shares a new approach using modern generative AI and scientific agents for structure elucidation from NMR spectra, aiming to discover previously unknown small molecules; the paper is available. Quoted author zanehkoch, who worked on the Edison side, notes LLMs currently lose on cost and speed for this task — but Claude in particular is improving quickly at it.
Related event: Princeton's ChefNMR2 Decodes Molecular Structures from 1D NMR Spectra(10 posts)→
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