MS/MS spectrum simulation (bonus chemical formulae) 벤치마크
MS/MS spectrum simulation (bonus chemical formulae) on MassSpecGym
Hit Rate @ 1
- 2024-10-30 — FraGNNet: Hit Rate @ 1 31.93
| Rank | Model | Hit Rate @ 1 | Hit Rate @ 5 | Hit Rate @ 20 | Paper | Code | Year |
|---|---|---|---|---|---|---|---|
| 1 | FraGNNet | 31.93 | 63.20 | 82.70 | MassSpecGym: A benchmark for the discovery and identification of molecules | pluskal-lab/massspecgym | 2024 |
| 2 | FFN Fingerprint | 7.62 | 22.70 | 44.12 | MassSpecGym: A benchmark for the discovery and identification of molecules | pluskal-lab/massspecgym | 2024 |
| 3 | GNN | 3.63 | 13.55 | 33.77 | MassSpecGym: A benchmark for the discovery and identification of molecules | pluskal-lab/massspecgym | 2024 |
| 4 | Precursor m/z | 2.09 | 8.52 | 22.65 | MassSpecGym: A benchmark for the discovery and identification of molecules | pluskal-lab/massspecgym | 2024 |