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. 2026 Sep 9;16(43):53776–53805. doi: 10.1039/d6ra05786a

Table 3. Hyperparameters optimization search space for the tested ML models.

ML algorithm Hyperparameters Search space [lower, upper values]; step
J48 (grid search) Maximum depth [2, 10]; 1
Minimum sample split [5, 20]; 2
XGBoost (genetic algorithm) Maximum tree depth [3, 15]; 2
Learning rate (eta) [0.10, 0.30]; 0.05
Alpha [0, 5]; 1
Lambda [0, 5]; 1
Gamma [0, 5]; 1
Minimum child weight [1,10]; 2
Subsampling rate [0.5, 1.0]; 0.1
kNN (grid search) Number of neighbours (k) [3, 20]; 1