Structure Elucidation from NMR Spectra on USPTO
81.57Top-1 AccuracyCHEFNMR-L
Evaluation results
| Method | Links | ||||||
|---|---|---|---|---|---|---|---|
| CHEFNMR-LParameters=462M2025.12 | 81.57 | 0.912 | 91.09 | 0.965 | 93.01 | 0.973 | |
| CHEFNMR-SParameters=134M2025.12 | 81.16 | 0.902 | 91.03 | 0.964 | 92.9 | 0.973 | |
| Alberts et al.reported_results=true2025.12 | 73.38 | — | 87.94 | — | 89.98 | — | |
| Hu et al.2025.12 | 38.02 | 0.674 | 55.85 | 0.81 | 61.76 | 0.845 | |
| NMR-DiGressBackbone=NMR-ConvFormer2025.12 | 22.51 | 0.504 | 41.26 | 0.708 | 48.87 | 0.761 |