Ligand | Threshold | Average | Crystallographic | Ensemble | |||
---|---|---|---|---|---|---|---|
Precision | Recall | Precision | Recall | Precision | Recall | ||
Epinephrine | 0.59 | 0.55 | 0.97 | 0.53 | 1.00 | 0.53 | 1.00 |
0.65 | 0.70 | 0.62 | 0.63 | 1.00 | 0.56 | 1.00 | |
0.70 | 0.84 | 0.30 | 0.86 | 1.00 | 0.63 | 0.89 | |
1.00 | – | 0.00 | – | 0.00 | – | 0.00 | |
HBI | 0.59 | 0.53 | 1.00 | 0.53 | 1.00 | 0.53 | 1.00 |
0.65 | 0.60 | 0.99 | 0.59 | 1.00 | 0.53 | 1.00 | |
0.70 | 0.67 | 0.98 | 0.68 | 1.00 | 0.53 | 1.00 | |
1.00 | 1.00 | 0.10 | – | 0.00 | 1.00 | 0.37 | |
BI167107 active | 0.59 | 0.53 | 1.00 | 0.53 | 1.00 | 0.53 | 1.00 |
0.65 | 0.58 | 1.00 | 0.59 | 1.00 | 0.53 | 1.00 | |
0.70 | 0.64 | 0.99 | 0.68 | 1.00 | 0.58 | 1.00 | |
1.00 | 1.00 | 0.10 | 1.00 | 0.47 | 1.00 | 0.26 | |
BI167107 inactive | 0.59 | 0.53 | 1.00 | 0.53 | 1.00 | ||
0.65 | 0.61 | 0.94 | 0.58 | 1.00 | |||
0.70 | 0.69 | 0.84 | 0.70 | 1.00 | |||
1.00 | 1.00 | 0.02 | 1.00 | 0.05 |