Pred | Acc | Prec | Rec | F1 | AUROC | AUPRC |
|---|
Ext test | 0.96 | 0.98 | 0.967 | 0.974 | 0.991 | 0.997 |
Ext test FL | 1 | 1 | 1 | 1 | NA | 1 |
Ext test noFL | 0.877 | 0.797 | 0.702 | 0.747 | 0.921 | 0.833 |
Ext test stand | 0.938 | 0.899 | 0.851 | 0.874 | NA | 0.916 |
- The statistics accuracy (acc), precision (prec), recall (rec), and F1 (F1), area under the receiving operator characteristic curve (AUROC), and area under the precision-recall curve (AUPRC) are provided for different predictions:, complete external test (ext test); external test for only the “FL” molecules (ext test (FL)); external test for the rest of the fold (ext test (noFL)); and standardized external test (averaging over the two above, ext test stand). Since the “FL” subset comprises only “Gut Lingerer” molecules, it was not possible to obtain an AUROC for it
