Making Claude a Chemist (anthropic.com) AI

Anthropic says its Claude models are increasingly useful for chemistry by testing them on NMR spectroscopy tasks, comparing predictions from multiple Claude versions (Opus 4.7/4.6, Sonnet 4.6) against dedicated NMR tools using data from 20 recently published compounds. The company reports Opus 4.7 produced notably accurate 1D NMR peak positions and splitting patterns, and also performed “inverse” structure elucidation from NMR peak lists plus formula (and, for harder cases, an added starting-material hint), reaching correct structures in all simpler cases and in most harder ones.