To unravel the relationship between these features and the target diffusion coefficient, partial dependence plots (PDPs) were examined for these features shown in Figure . The PLD has a contribution similar to that described in Figure . A linear contribution was observed when the PLD values were below 6 Å, followed by a constant contribution for PLD values above this threshold. The activation energy showed a negative correlation with the log of the diffusion coefficient, which explained the linear contribution observed in the dependence plot.