Figure shows the cumulative distribution function and summary statistics of the pairwise Tanimoto similarity using Morgan2 (1024-bit) and MACCS keys (166-bit) fingerprints for the fragment libraries. The data sets are distinguished by different colors: COCONUT (cyan), LANaPDB (green), CRAFT (yellow), Enamine (black), ChemDiv (blue), Maybridge (purple), and Life Chemicals (red). Due to the large number of fragments obtained from COCONUT, LANaPDB, ChemDiv, and Life Chemicals (more than 65,248 fragments, Figure ), ten subsets of 5,000 structures randomly selected from each data set to compute