UltraNMR is a large foundation model pre-trained on 158M simulated NMR spectra that transfers to experimental data, achieving SOTA on structure analysis tasks and enabling a 94M-molecule spectral library plus real-world natural product elucidation.
Artificialintelligenceinspectroscopy: advancingchemistry from prediction to generation and beyond
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
physics.chem-ph 1years
2026 1verdicts
UNVERDICTED 1representative citing papers
citing papers explorer
-
A large-scale foundation model enables simulation-to-real adaptation for nuclear magnetic resonance-based molecular structure analysis
UltraNMR is a large foundation model pre-trained on 158M simulated NMR spectra that transfers to experimental data, achieving SOTA on structure analysis tasks and enabling a 94M-molecule spectral library plus real-world natural product elucidation.