Table 5. External Validation Results Reinforcing the Effectiveness of the Proposed Modelsa.
| external
validation set |
||||||
|---|---|---|---|---|---|---|
| Davis Anastasiadis | Davis Metz | |||||
| method | accuracy | precision | F1-score | accuracy | precision | F1-score |
| sequence-based | 0.69 | 0.60 | 0.64 | 0.66 | 0.56 | 0.60 |
| CTD | 0.19 | 0.03 | 0.06 | 0.22 | 0.05 | 0.08 |
| dNNDRa | 0.47 | 0.67 | 0.51 | 0.53 | 0.51 | 0.52 |
| dNNDRb | 0.76 | 0.58 | 0.66 | 0.70 | 0.59 | 0.58 |
| DeepDTA | 0.70 | 0.56 | 0.68 | 0.64 | 0.55 | 0.57 |
| DeepConv-DTI | 0.72 | 0.61 | 0.64 | 0.68 | 0.56 | 0.61 |
The best-performing method has been marked in bold. 2. dNNDRa: Att-biLSTM, dNNDRb: Att-biLSTM + descriptors, dNNDRc: biLSTM + gCNN.