The first set of simulations studied involve self-assembled monolayers (SAMs); here, we use the EC to predict the hydration free energy of the 2D SAM surface. The second set of simulations aims to predict the reactivity of a molecule based on the topology of a solvent environment composed of water and a cosolvent. These examples were specifically chosen because they were previously studied using advanced CNNs and thus have a frame of reference. We also highlight that these molecular systems are solventdominated; as such, their emergent properties are known to be influenced by the spatial structure and correlations of the solvent environment. This information will be quantified directly using the EC of graph and manifold representations of such environments.