ddE cut-off value (kcal/moll) | 10 | 7.5 | 5 | 2.5 | 0 | -2.5 | -5 | -7.5 | -10 |
---|---|---|---|---|---|---|---|---|---|
Sensitivity (%) | 93.0 | 90.6 | 88.2 | 85.9 | 83.7 | 79.1 | 74.1 | 64.5 | 57.6 |
Specificity (%) | 30.9 | 36.7 | 43.0 | 49.4 | 55.9 | 62.6 | 69.1 | 72.6 | 76.5 |
Positive prediction value (%) | 48.1 | 49.7 | 51.6 | 53.9 | 56.7 | 59.4 | 62.3 | 61.8 | 62.8 |
Negative prediction value (%) | 86.6 | 85.1 | 84.1 | 83.5 | 83.3 | 81.3 | 79.5 | 74.8 | 72.3 |
Accuracy (%) | 56.3 | 58.7 | 61.4 | 64.3 | 67.2 | 69.4 | 71.1 | 69.3 | 68.8 |
Balanced accuracy (%) | 62.0 | 63.7 | 65.6 | 67.6 | 69.8 | 70.9 | 71.6 | 68.5 | 67.0 |
Mathews correlation coefficient | 0.34 | 0.35 | 0.36 | 0.37 | 0.38 | 0.37 | 0.35 | 0.29 | 0.26 |
Positive likelihood ratio | 1.35 | 1.43 | 1.55 | 1.70 | 1.90 | 2.11 | 2.40 | 2.35 | 2.45 |
Negative likelihood ratio | 0.23 | 0.26 | 0.27 | 0.29 | 0.29 | 0.33 | 0.37 | 0.49 | 0.55 |
Coveragea (%) | 86.8 |