Making Claude a chemist
ID: 9761bf7f-87f7-52e6-837a-05fd1c926ed3
STIX ID: report--9761bf7f-87f7-52e6-837a-05fd1c926ed3
Feed Name: Anthropic Research
This white paper evaluates Claude (Opus 4.7, Opus 4.6, Sonnet 4.6) on 1D NMR forward-prediction (20 compounds) and inverse structure elucidation (15 problems), comparing performance to ChemDraw and MestReNova; Opus 4.7 matched or exceeded classical tools on many metrics and could propose structures from 1D spectra, while authors note limitations in dataset size, scaffold and solvent coverage, and lack of 2D NMR/stereochemistry handling.
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