Table 8 Performance analysis of varying degrees of Imbalanced Datasets.
Dataset | Balancing | Class 0 / No | Class 1 / Yes | Accuracy | Precision | Sensitivity | Specificity | F1score | Threshold |
|---|---|---|---|---|---|---|---|---|---|
BindingDB_Kd | Extreme Imbalanced | 37385 | 4851 | 93.69 | 93.24 | 93.69 | 98.08 | 93.27 | 30 |
Moderate Imbalanced | 38910 | 3326 | 94.64 | 94.1 | 94.64 | 98.63 | 94.12 | 10 | |
Balanced | 38910 | 38910 | 97.46 | 97.49 | 97.46 | 98.82 | 97.46 | 10+GAN | |
BindingDB_Ki | Extreme Imbalanced | 197572 | 99113 | 84.87 | 84.77 | 84.87 | 89.45 | 84.81 | 30 |
Moderate Imbalanced | 227658 | 69027 | 87.22 | 86.86 | 87.22 | 93.2 | 86.97 | 10 | |
Balanced | 227658 | 227658 | 91.69 | 91.74 | 91.69 | 93.40 | 91.69 | 10+GAN | |
BindingDB_IC50 | Extreme Imbalanced | 597037 | 169867 | 88.76 | 88.47 | 88.76 | 94.01 | 88.57 | 30 |
Moderate Imbalanced | 664750 | 102154 | 91.99 | 91.57 | 91.99 | 96.54 | 91.71 | 10 | |
Balanced | 664750 | 664750 | 95.40 | 95.41 | 95.40 | 96.42 | 95.39 | 10+GAN |
