(i) Feature importance: In Figure we plot the importance scores for the two data fragments based on median molecular weight applying our proposed nonparametric additive model. The importance score plot calculated applying LOCO-method as described in Section 3.3. As shown in Figure (a) for the fraction of molecules below the median molecular weight, exhibits a higher importance score for the chemical descriptors as compared to the graphical descriptors. However, among molecules with molecular weights in greater than median weight (> median MolWt) fraction, there is an increased significance placed on descriptors containing graphical information, reflecting the importance of atom connectivity of individual atoms in the molecules. (ii) Graphical vs chemical contribution to solubility: As a post-hoc analysis, we define