Fig. 5

Regression plots showing the effective versus predicted dose for several ML regression models. The blue line represents the ordinary least squares (OLS) regression line whose equation is reported in the upper part of each plot, together with the R2 determination coefficient. The models tested were Support Vector Machine (SVM), Random Forests (RF), eXtreme Gradient Boosting (XGBoost), k-Nearest Neighbors (k-NN), Partial Least Squares-Regression (PLS-R), Multivariate Linear Regression (MLR), Principal Components Regression (PCR), Artificial Neuronal Network (ANN).