Table 2 Qualified performance of models using an independent test set
| Â | Â | 3017 m/z | ANN 1 | ANN 67 | ANN 67 | ANN 53 | CANN-Vote |
|---|---|---|---|---|---|---|---|
| Â | Normalization | TIC | TIC | TIC | TIC | Glu-Fib | Glu-Fib |
| Â | AuROC | 0.7538 | 0.9412 | 0.9412 | 0.9412 | 0.9428 | na |
| Â | Threshold a | minMC | OpT | OpT | minMC | OpT | > 50 votes |
Test Set | sensitivity | 0.20 | 1.00 | 0.40 | 0.70 | 0.30 | 0.30 |
| Â | specificity | 1.00 | 0.60 | 0.90 | 0.90 | 1.00 | 1.00 |
| Â | PPV | 1.00 | 0.71 | 0.80 | 0.88 | 1.00 | 1.00 |
| Â | NPV | 0.56 | 1.00 | 0.60 | 0.75 | 0.59 | 0.59 |
Training Set | sensitivity | 0.35 | 0.91 | 0.88 | 0.91 | 0.94 | 1.00 |
| Â | specificity | 0.93 | 0.95 | 1.00 | 0.99 | 0.96 | 0.99 |
| Â | PPV | 0.71 | 0.89 | 1.00 | 0.97 | 0.91 | 0.97 |
| Â | NPV | 0.76 | 0.96 | 0.95 | 0.96 | 0.97 | 1.00 |