Contextual explanations and sparsity. The example in Figure illustrates the defining characteristic of our approach. The attribution heat map consists of both atomic and structural features. Specifically, the model assigns positive contributions (green overlay) to the outmost Cl atom and methyl group, while it assigns negative contributions (pink overlay) to the central N atom and the triazine ring. These assignments are in alignment with a medicinal chemist's intuition about logD contributions.