We performed a feature importance analysis of the 100 trials with the Shapely values method. The results obtained for the best and worst trials are shown in Figure . The analysis shows that the most important descriptor is ϕ ij , see Eq. 7, which is related to the available volume in a pocket, see Figures and. The importance of the other parameters changes across trials, in Figure and in the remaining 98 trials (not reported), so while the combined effect of the other descriptors is necessary to obtain a reasonable data regression, no other descriptor stands out as ϕ ij does.