MIST + MSNovelist

Reported on 6 benchmarks across 1 task

Note: results are matched by exact model name. Different papers may use the same name for different model variants.

Miscellaneous6 results

De novo molecule generation from MS/MS spectrum (bonus chemical formulae)onMassSpecGym
Top-1 Accuracy· uses extra data
0
best: 2.3 (DiffMS)
De novo molecule generation from MS/MS spectrum (bonus chemical formulae)onMassSpecGym
Top-1 MCES· uses extra data
45.55
best: 79.39 (SMILES Transformer)
De novo molecule generation from MS/MS spectrum (bonus chemical formulae)onMassSpecGym
Top-1 Tanimoto· uses extra data
0.06
best: 0.28 (DiffMS)
De novo molecule generation from MS/MS spectrum (bonus chemical formulae)onMassSpecGym
Top-10 Accuracy· uses extra data
0
best: 4.25 (DiffMS)
De novo molecule generation from MS/MS spectrum (bonus chemical formulae)onMassSpecGym
Top-10 MCES· uses extra data
30.13
best: 52.13 (SMILES Transformer)
De novo molecule generation from MS/MS spectrum (bonus chemical formulae)onMassSpecGym
Top-10 Tanimoto· uses extra data
0.15
best: 0.39 (DiffMS)