Table 2.
Comparison of Predicted Migrations of the Seven Additional Inhibitors for Both KiDNN and KiR on FOCUS
| Kinase Inhibitor | Measured | Linear Regression Predictions | KiDNN Predictions | KiDNN LOOCV Predictions |
|---|---|---|---|---|
| Aminopurvalanol A | 66.8 | 60.3 | 64.2 | 66.3 |
| AMPK compound C | 64.8 | 54.5 | 57.1 | 56.6 |
| Cdk2 inhibitor IV, NU6140 | 70 | 52.7 | 66.3 | 63.8 |
| Dovitinib | 32.3 | 33.6 | 51.3 | 50.1 |
| GSK-3 inhibitor XIII | 59.5 | 53.7 | 59.9 | 62.0 |
| Staurosporine, N-benzoyl- | 37.9 | 30.9 | 55.3 | 48.0 |
| SU11652 | 47.0 | 20.7 | 49.4 | 50.9 |
| Mean squared error | 175.1 | 106.5 | 78.2 |
In the KiDNN Predictions column, KiDNN was trained with the 32 kinase inhibitors and applied to the 7 additional inhibitors, whereas in the KiDNN LOOCV Predictions column, each time 6 of the 7 additional inhibitors were added to the training set and the remaining inhibitor's migration was predicted for each of the 7 inhibitors. The MSE of the models' predictions are indicated.