De Novo Molecule Generation From Ms Ms 1
المقاييس
Top-1 Accuracy
Top-1 MCES
Top-1 Tanimoto
Top-10 Accuracy
Top-10 MCES
Top-10 Tanimoto
النتائج
نتائج أداء النماذج المختلفة على هذا المعيار القياسي
جدول المقارنة
| اسم النموذج | Top-1 Accuracy | Top-1 MCES | Top-1 Tanimoto | Top-10 Accuracy | Top-10 MCES | Top-10 Tanimoto |
|---|---|---|---|---|---|---|
| massspecgym-a-benchmark-for-the-discovery-and | 0.00 | 79.39 | 0.03 | 0.00 | 52.13 | 0.10 |
| diffms-diffusion-generation-of-molecules | 0.00 | 37.76 | 0.12 | 0.00 | 29.40 | 0.16 |
| النموذج 3 | 0.00 | 33.19 | 0.14 | 0.00 | 31.89 | 0.16 |
| madgen-mass-spec-attends-to-de-novo-molecular | 1.31 | 27.47 | 0.20 | 1.54 | 16.84 | 0.26 |
| النموذج 5 | 0.00 | 45.55 | 0.06 | 0.00 | 30.13 | 0.15 |
| diffms-diffusion-generation-of-molecules | 2.3 | 18.45 | 0.28 | 4.25 | 14.73 | 0.39 |
| massspecgym-a-benchmark-for-the-discovery-and | 0.00 | 21.11 | 0.08 | 0.00 | 18.25 | 0.11 |
| massspecgym-a-benchmark-for-the-discovery-and | 0.00 | 38.88 | 0.08 | 0.00 | 26.87 | 0.13 |
| madgen-mass-spec-attends-to-de-novo-molecular | 0.00 | 45.89 | 0.19 | 0 | 32.6 | 0.28 |