Table 6.
The prediction accuracy of another five prediction methods and the accuracy comparison with XGBoost.
| Prediction methods | ADMET properties | Prediction accuracy (%) | Accuracy improvement (%) |
|---|---|---|---|
| SVM | Caco-2 | 86.8 | 7.2 |
| CYP3A4 | 87.6 | 7.8 | |
| hERG | 86.3 | 3.1 | |
| HOB | 87.3 | 1.6 | |
| MN | 85.8 | 10.4 | |
|
| |||
| RF | Caco-2 | 93.2 | 0.8 |
| CYP3A4 | 94.2 | 1.5 | |
| hERG | 88.1 | 1.3 | |
| HOB | 88.4 | 0.5 | |
| MN | 94.9 | 1.3 | |
|
| |||
| LDA | Caco-2 | 88.5 | 5.5 |
| CYP3A4 | 93.2 | 2.5 | |
| hERG | 86.1 | 3.3 | |
| HOB | 85.3 | 3.6 | |
| MN | 87.6 | 8.6 | |
|
| |||
| KNN | Caco-2 | 85.6 | 8.4 |
| CYP3A4 | 87.9 | 7.8 | |
| hERG | 80.5 | 8.9 | |
| HOB | 74.2 | 14.7 | |
| MN | 81.0 | 15.2 | |
|
| |||
| NB | Caco2 | 82.5 | 11.5 |
| CYP34 | 85.6 | 10.1 | |
| hERG | 744 | 15 | |
| HOB | 56.5 | 32.4 | |
| MN | 72.4 | 23.8 | |