We next gauged the accuracy of our GAT model. Through message passing, information from atoms up to 7 bonds can be given to the ionization center when applying 7 GAT layers. Alternatively, we could use a mask on the graph to conceal the atoms beyond the 7 bond limits. One could also envision a combination of 3 GAT layers and a mask for any atoms more than four bonds away, as the atoms at the edge will encompass some information from the atoms in proximity to the edge (Section S-III). The influence of the local environment and number of layers on the accuracy of the model was first tested. The training was carried out providing the acidic/basic center associated with the pKa value.