Invariance with respect to molecule's symmetries. An important property for interpretability is that the explanations respect the symmetries of the input molecule. Among the CDDD-based methods, those based on SMILES will fail to produce invariant explanations, as the SMILES string representations explicitly break the molecule's symmetries. In what follows, we provide evidence that our contextual explanations, instead, tend to be invariant under such symmetries. Explicitly, let T be the symmetry group of a molecule's graphical depiction, that is, the group of image transformations that leave the chemical content invariant: given a molecule image x and a transformation T ∈ T , then x = T (x) corresponds to the same molecule. To quantify the invariance of our contextual explanations with respect to a symmetry group T , we define the symmetry score for the transformation T ∈ T as