Table 4.
Class-wise performance of the model based on ten selected bioactivity descriptors on the test set.
| Error Significance ε | Class | Validity | Efficiency |
|---|---|---|---|
| 0.05 | Non-sensitizer | 0.95 | 0.38 |
| Sensitizer | 0.93 | 0.41 | |
| 0.10 | Non-sensitizer | 0.87 | 0.55 |
| Sensitizer | 0.92 | 0.58 | |
| 0.20 | Non-sensitizer | 0.79 | 0.82 |
| Sensitizer | 0.83 | 0.82 | |
| 0.30 | Non-sensitizer | 0.67 | 0.94 |
| Sensitizer | 0.75 | 0.95 |