Table 1. Performances of the optimized RF models with MOE and IE descriptors on the training set (cross-validation CV) and the external validation set.
| Descriptors | Validation | Accuracy % | Sensitivity % | Specificity % | MCC % |
|---|---|---|---|---|---|
| 15 MOE+7 IE | Training CV External set |
82.81 84.82 |
88.44 89.17 |
74.67 78.07 |
64.17 67.92 |
| 20 MOE+7 IE | Training CV External set |
83.25 84.45 |
88.57 89.57 |
75.55 76.52 |
65.10 67.08 |
| 36 MOE+7 IE | Training CV External set |
83.66 85.55 |
89.13 89.97 |
75.76 78.69 |
65.96 69.45 |
| 170 MOE+7 IE | Training CV External set |
84.12 85.55 |
90.02 90.57 |
75.58 77.76 |
66.90 69.41 |