Table 1.
Multiclass multilabel performance metrics for the reaction subclass-specific models calculated using stratified random sampling
| Reaction class | Accuracy (%) | Sensitivity (%) | Precision (%) | F1 score (%) | Hamming loss |
|---|---|---|---|---|---|
| Oxidoreductases | 73.9 | 77.7 | 88.6 | 76.5 | 0.019 |
| Transferases | 61.0 | 63.7 | 83.3 | 63.9 | 0.072 |
| Hydrolases | 72.4 | 76.8 | 79.2 | 74.8 | 0.04 |
| Lyases | 74.4 | 76.7 | 85.6 | 76.2 | 0.058 |
| Isomerases | 72.2 | 73.6 | 91.4 | 73.1 | 0.06 |
| Ligases | 72.0 | 72.0 | 75.0 | 72.0 | 0.093 |
All the parameters mentioned above were calculated using multilabel evaluation methodology (see Tables S9–S14).