Table 3. Metrics for a Rationally Designed Set.
| R2 | ρ | RMSE | F1 | ROC-AUC | accuracy | recall | specificity | TP | TN | FP | FN | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| SCF + DSP | 0.46 | 0.60 | 0.40 | 0.40 | 0.63 | 0.91 | 0.27 | 0.99 | 2073 | 60,490 | 561 | 5566 |
| CIS + DSP | 0.71 | 0.85 | 0.20 | 0.27 | 0.58 | 0.90 | 0.16 | 0.99 | 1227 | 60,736 | 315 | 6412 |
| CIS + DSP + LC | 0.71 | 0.85 | 0.11 | 0.55 | 0.73 | 0.91 | 0.51 | 0.96 | 3867 | 58,592 | 2459 | 3772 |