Table 4 Performance analysis of ML and DL models on BindingDB-Kd.
Dataset | Threshold | Model | Accuracy | Precision | Sensitivity | Specificity | F1score | Kappa | MCC | ROC-AUC | MAE | MSE | RMSE |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
BindingDB_Kd | 10 | DTC | 96.47 | 96.47 | 96.47 | 96.45 | 96.47 | 92.93 | 92.93 | 96.66 | 3.53 | 3.53 | 18.80 |
MLP | 97.13 | 97.14 | 97.13 | 97.91 | 97.13 | 94.26 | 94.27 | 99.15 | 2.87 | 2.87 | 16.95 | ||
RFC | 97.46 | 97.49 | 97.46 | 98.82 | 97.46 | 94.91 | 94.95 | 99.42 | 2.54 | 2.54 | 15.95 | ||
FCNN | 97.14 | 97.20 | 97.14 | 98.84 | 97.14 | 94.28 | 94.34 | 99.28 | 2.86 | 2.86 | 16.91 | ||
MHA-FCNN | 97.21 | 97.25 | 97.21 | 98.70 | 97.21 | 94.42 | 94.46 | 99.29 | 2.79 | 2.79 | 16.70 | ||
DeepLPI | 97.03 | 97.04 | 97.03 | 97.88 | 97.02 | 94.05 | 94.06 | 99.34 | 2.97 | 2.97 | 17.25 | ||
BarlowDTI | 97.16 | 97.17 | 97.16 | 97.96 | 97.16 | 94.32 | 94.33 | 99.28 | 2.84 | 2.84 | 16.85 | ||
Komet | 97.40 | 97.43 | 97.40 | 98.59 | 97.40 | 94.81 | 94.83 | 99.39 | 2.60 | 2.60 | 16.11 | ||
20 | DTC | 95.26 | 95.26 | 95.26 | 95.15 | 95.26 | 90.52 | 90.52 | 95.50 | 4.74 | 4.74 | 21.77 | |
MLP | 95.98 | 96.00 | 95.98 | 97.04 | 95.98 | 91.96 | 91.98 | 98.79 | 4.02 | 4.02 | 20.06 | ||
RFC | 96.56 | 96.62 | 96.56 | 98.39 | 96.56 | 93.12 | 93.18 | 99.20 | 3.44 | 3.44 | 18.55 | ||
FCNN | 96.08 | 96.15 | 96.08 | 98.00 | 96.08 | 92.16 | 92.22 | 99.02 | 3.92 | 3.92 | 19.81 | ||
MHA-FCNN | 96.10 | 96.21 | 96.10 | 98.47 | 96.10 | 92.21 | 92.31 | 98.92 | 3.90 | 3.90 | 19.74 | ||
DeepLPI | 96.27 | 96.31 | 96.27 | 97.82 | 96.27 | 92.54 | 92.58 | 99.12 | 3.73 | 3.73 | 19.32 | ||
BarlowDTI | 96.33 | 96.37 | 96.33 | 97.82 | 96.33 | 92.66 | 92.70 | 99.08 | 3.67 | 3.67 | 19.16 | ||
Komet | 96.28 | 96.35 | 96.28 | 98.14 | 96.28 | 92.56 | 92.63 | 99.07 | 3.72 | 3.72 | 19.28 | ||
30 | DTC | 94.92 | 94.92 | 94.92 | 95.04 | 94.92 | 89.85 | 89.85 | 95.18 | 5.08 | 5.08 | 22.53 | |
MLP | 95.92 | 95.95 | 95.92 | 97.18 | 95.92 | 91.84 | 91.87 | 98.77 | 4.08 | 4.08 | 20.20 | ||
RFC | 96.27 | 96.33 | 96.27 | 98.18 | 96.27 | 92.53 | 92.60 | 99.12 | 3.73 | 3.73 | 19.32 | ||
FCNN | 95.55 | 95.69 | 95.55 | 98.34 | 95.54 | 91.09 | 91.23 | 98.88 | 4.45 | 4.45 | 21.10 | ||
MHA-FCNN | 95.60 | 95.66 | 95.60 | 97.39 | 95.60 | 91.20 | 91.25 | 98.79 | 4.40 | 4.40 | 20.98 | ||
DeepLPI | 96.00 | 96.08 | 96.00 | 98.13 | 96.00 | 92.00 | 92.08 | 98.95 | 4.00 | 4.00 | 20.00 | ||
BarlowDTI | 95.93 | 95.95 | 95.93 | 96.99 | 95.93 | 91.87 | 91.89 | 98.84 | 4.07 | 4.07 | 20.16 | ||
Komet | 95.97 | 96.06 | 95.97 | 98.22 | 95.97 | 91.94 | 92.04 | 98.92 | 4.03 | 4.03 | 20.06 |
