Table 3 Comparison of relation mapping models.
From: Application of multi-objective optimization in the study of anti-breast cancer candidate drugs
Algorithm | Index evaluation | ||||||
|---|---|---|---|---|---|---|---|
\(PIC_{50}\) | Caco-2 | \(CYP_{3}A_{4}\) | hERG | HOB | MN | AVG | |
SVM | 0.48 | 89.43 | 91.47 | 90.07 | 85.21 | 92.46 | 89.73 |
AdaBoost | 0.72 | 87.46 | 91.97 | 89.71 | 83.45 | 90.70 | 88.66 |
GBDT | 0.53 | 90.42 | 92.88 | 90.77 | 85.84 | 93.09 | 90.60 |
XGBoost | 0.53 | 89.36 | 92.39 | 89.50 | 83.94 | 91.90 | 89.42 |
RandomForest | 0.50 | 90.35 | 93.02 | 90.91 | 86.69 | 94.50 | 91.09 |
PsoBpSvm | 0.53 | 89.37 | 94.06 | 84.14 | 79.09 | 84.49 | 86.23 |
CatBoost | 0.44 | 91.12 | 93.52 | 91.33 | 86.83 | 94.85 | 91.53 |
