The results page provides the predicted binding score for each residue. In order to classify residues as either binding sites or non-binding sites, a threshold can be applied to the binding score.
The thresholds listed below have been meticulously chosen to maximize the F1 score on the validation dataset, and the evaluation metrics below are evaluated on the test dataset.
Ligand | Threshold | Recall | Precision | F1-score |
DNA | 0.275 | 0.652 | 0.509 | 0.535 |
RNA | 0.226 | 0.714 | 0.460 | 0.559 |
ATP | 0.234 | 0.734 | 0.546 | 0.626 |
HEM | 0.339 | 0.787 | 0.669 | 0.723 |
CA | 0.431 | 0.342 | 0.696 | 0.459 |
MG | 0.346 | 0.203 | 0.520 | 0.292 |
MN | 0.363 | 0.592 | 0.618 | 0.605 |