Table 13 Model performance on test set and 10-fold cross-validation.

From: Predictive modeling of asthma drug properties using machine learning and topological indices in a MATLAB based QSPR study

Model

MAE (Test)

RMSE (Test)

\(R^2\) (Test)

\(R^2\) (CV)

Linear Regression

12.89

14.22

0.726

0.705

Random Forest

5.48

6.13

0.922

0.903

XGBoost

4.92

5.67

0.941

0.917

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