As described in the Methods section, we compared the diversity of the de novo-designed libraries and the DNMT1 inhibitor dataset in terms of fingerprints, molecular scaffolds, and properties of pharmaceutical interest employing CDP . Figure shows a CDP comparing the overall (global) structural diversity of all three data sets, considering four parameters described in Table . Every point in this plot corresponds to a single dataset. The median corresponding to each data set, computed with MACCS Keys/Tanimoto, is plotted on the X-axis. The area under the curve (AUC) for the scaffold recovery curves is plotted on the Y-axis. The size of the data points represents the relative sizes of each data set, and the color of each data point represents the diversity of molecular properties. According to Figure , the compounds designed by the alvaBuilder software are the most diverse as measured by fingerprints, which assess diversity based on complete structures. Regarding scaffold diversity, compounds designed by the alvaBuilder program are also the most diverse, followed by the DNMT1 inhibitors and compounds generated by LigBuilder. Furthermore, compounds designed with LigBuilder are also the most diverse in terms of molecular properties, only behind the DNMT1 inhibitors. in the Supplementary Material includes summary statistics for all models.