where t is a given, fixed descriptor for the target molecule and (c 1 , c 2 , ..., c k ) is a collection of descriptors for sampled conformers of the candidate molecule. We employ the stochastic conformer generator provided by RDKit (ETKDG.v3) to sample and generate the necessary conformers for the candidate molecules. Throughout this paper, we will sample 15 conformers for each candidate molecule. This approach results in a set of similarity measures which were explicitly designed to follow the overall trends (but not the numerical values) of fingerprint-based Tanimoto similarities.