Use case 3: Comparing the latent space of a trained model to a fingerprint representation Protein kinases feature prominently in the human genome , and kinase inhibitors are of particular interest in drug discovery . Recently, Sydow et al. have developed a fragment-library approach to generating novel kinase inhibitors. In this approach, known kinase inhibitors are split into smaller molecular fragments, and those fragments are then virtually recombined. While theoretically the number of potential new kinase inhibitors is limited only by the number of possible fragment combinations, in practice some of these "recombined" compounds will be more desirable than others, for instance, because of their physicochemical properties or synthetic feasibility. It is thus of interest to explore the large set of virtually generated candidates to find subsets of promising candidate kinase inhibitors.