Author

Denis Chusov

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#small language model Sep 2026

Can AI Help Chemists To Solve NMR?

Chemists read 1 H and 13 C NMR daily, and it is tempting to paste the peak lists into a large language model. Given only those two peak lists for 105 molecules balanced by molecular complexity and compound classes, six frontier LLMs (Claude Opus 4.8, DeepSeek V4 Pro, Gemini 3.1 Pro, GPT-5.5, Grok 4.3, Qwen3.7-Max) and...

Fedor Kliuev, Ivan Smirnov, Mikhail A. Losev et al. · ChemRxiv · 0 citations