Laiqun Xia

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.