NMR elucidation treated as an agentic search problem; an autonomous agent using a frozen LLM matches graduate-level chemistry students in structure determination
Read the original at arxiv.org→arXiv:2607.19406v1 Announce Type: new Abstract: Structural elucidation from Nuclear Magnetic Resonance (NMR) data remains a fundamental bottleneck across chemistry, materials science, and biology. We demonstrate...
Original headline: "NMR Elucidation as an Agentic Search Problem, Not a Modeling Problem"
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- Jul 23, 04:00 UTC arXiv cs.LG lead source NMR Elucidation as an Agentic Search Problem, Not a Modeling Problem