Table 1. Performance of RLS-KP by 10-fold cross validation with S d = S chem .
| Fold Id | Original algorithm | Algorithm with eigenvalue transformation applied | p | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
|
Training set |
Test set |
Training set |
Test set |
α | ||||||
| AUC | AUPR | AUC | AUPR | AUC | AUPR | AUC | AUPR | |||
| 1 | 93.0 | 42.9 | 92.8 | 51.2 | 93.5 | 56.7 | 94.3 | 68.9 | 0.5 | 0 |
| 2 | 92.5 | 42.2 | 92.7 | 52.9 | 93.7 | 56.8 | 93.7 | 66.5 | 0.6 | 0 |
| 3 | 92.8 | 42.9 | 92.7 | 50.0 | 93.5 | 57.4 | 93.3 | 65.9 | 0.5 | 0 |
| 4 | 92.3 | 43.3 | 93.3 | 44.9 | 93.6 | 58.0 | 93.9 | 63.7 | 0.5 | 0 |
| 5 | 92.6 | 43.0 | 92.8 | 49.5 | 93.4 | 57.5 | 94.8 | 68.6 | 0.5 | 0 |
| 6 | 92.4 | 43.0 | 93.0 | 44.0 | 93.4 | 57.6 | 94.0 | 60.1 | 0.6 | 0 |
| 7 | 92.7 | 44.0 | 92.9 | 42.4 | 93.6 | 58.6 | 94.1 | 62.9 | 0.5 | 0 |
| 8 | 92.4 | 43.6 | 91.9 | 44.5 | 93.5 | 58.9 | 93.6 | 59.4 | 0.5 | 0 |
| 9 | 92.5 | 42.9 | 93.8 | 50.2 | 93.7 | 57.3 | 94.5 | 65.3 | 0.5 | 0 |
| 10 | 92.2 | 43.1 | 94.3 | 51.9 | 93.4 | 57.0 | 94.4 | 68.1 | 0.5 | 0 |
| average | 92.5 | 43.1 | 93.0 | 48.1 | 93.5 | 57.6 | 94.1 | 65.0 | 0 | |
The AUC scores and AUPR scores are normalized to 100. The p indicates p-value of bootstrapping.