fig5

Figure 5. The experimental and predictive log P using the ARD regression model with the best random state. (A) This image showcases the prediction performance on the SAMPL6 dataset. The error range was 0.30; (B) This image showcases the prediction performance on the SAMPL9 dataset. The error range was 1.00. The MAE, RMSE, and R² are provided. The model was trained on the M-dataset using the coefficient set s_L = 0.5 and N_s = 500. ARD: Automatic relevance determination; MAE: mean absolute error; RMSE: root mean square error; R²: coefficients of determination.