fig4

Figure 4. The experimental log P values and the ML predicted log P values. (A) The ARD regression model with the best (A) and the worst (B) performance in 20 simulations with different random states; The Bayesian Ridge regression model with the best (C) and the worst (D) performance in 20 simulations with different random states. The Ridge regression model with the best (E) and the worst (F) performance in 20 simulations with different random states. All models used the coefficient set s_L = 0.5 and N_s = 500. The test set was 0.25. ML: machine learning; ARD: automatic relevance determination.