Spectral prediction on NIST positive mode Scaffold 2020
0.787Cosine SimilarityGLACIER
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| GLACIERChemical Formula (CF)=without2026.06 | 0.787 | 0.731 | 87.2 | |
| GLACIERChemical Formula (CF)=with2026.06 | 0.758 | 0.689 | 83.2 | |
| ICEBERG 2.02026.06 | 0.734 | 0.707 | 84.2 | |
| ICEBERG 1.02026.06 | 0.698 | 0.633 | 77 | |
| MassFormer2026.06 | 0.532 | 0.515 | 74 | |
| GrAFF-MS2026.06 | 0.477 | 0.452 | 70.1 |