Model and validation | Training | Sensitivity | Specificity | PPV | NPV | MCC |
---|---|---|---|---|---|---|
QSAR (EV) | PD + IH | 0.76 | 0.86 | 0.42 | 0.96 | 0.48 |
Public PCM (CV) | PD | 0.01 ± 0.01 | 0.98 ± 0.00 | 0.03 ± 0.06 | 0.91 ± 0.01 | − 0.03 ± 0.03 |
In-house PCM (CV) | IH | 0.69 ± 0.07 | 0.89 ± 0.02 | 0.38 ± 0.06 | 0.97 ± 0.01 | 0.45 ± 0.05 |
Combined PCM (CV) | PD + IH | 0.64 ± 0.06 | 0.93 ± 0.01 | 0.47 ± 0.07 | 0.96 ± 0.01 | 0.49 ± 0.05 |