Atomic Diffusion Models for Small Molecule Structure Elucidation from NMR Spectra

arXiv — cs.LGThursday, December 4, 2025 at 5:00:00 AM
  • A new framework named ChefNMR has been introduced to predict the structures of small molecules directly from 1D NMR spectra and chemical formulas, achieving over 65% accuracy in elucidating complex natural products. This advancement addresses the traditionally manual and expertise
  • The development of ChefNMR is significant as it streamlines the structure elucidation process, potentially accelerating the discovery of novel natural products and clinical therapeutics, which are crucial in various scientific and medical fields.
  • This innovation reflects a broader trend in artificial intelligence applications within chemistry, paralleling advancements in related areas such as protein
— via World Pulse Now AI Editorial System

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