Regardless of the specifics surrounding its formulation, the choice to use HDBSCAN for clustering in Dedenser was due to two major aspects. First, the extraction of clusters is a datadependent process, often eliminating the need for users to fine tune parameters and the number of clusters. Second, datapoints not belonging to clusters are considered 'noise', allowing for our Dedenser algorithm to retain singletons in chemical space. The retention of chemical singletons is of particular interest when the aim of downsampling is to retain chemical diversity in part.