Aug 2026
PINS: A Physics-Informed Generative Framework for De Novo Structure Elucidation from 1D NMR Spectra.
PINS (Physics-Informed NMR Structure elucidation model), a generative framework that explicitly bridges the gap between spectral data and molecular topology by enforcing multiphysical priors, provides a trustworthy, automated strategy for decoding novel chemical structures in data-scarce regimes.
Pengfei Liu, Cuimei Liu, Laiqun Xia et al.
· Analytical Chemistry · 0 citations