MOESM2 of Comparative analyses of structural features and scaffold diversity for purchasable compound libraries

Additional file 2: Fig. S1. Tree Maps for the studied datasets; Figure S2. The most frequent scaffolds served as the representatives of the clusters; Figure S3. Cluster centers served as the representatives of the clusters; Figure S4. Maximum Common Substructures (MCS) for 39 out of the 40 representative molecules; Table S1. Potential targets of the 39 similar molecules found in BindingDB for the 40 representative molecules.