Table 3. SSE Computed Using the Most Populated Scaffolds for the Chemical Libraries Analyzed in This Study^a.

chemical library	SSE5	SSE10	SSE20	SSE30	SSE40	SSE50	SSE60	SSE70
MeFSAT	0.979	0.956	0.929	0.913	0.899	0.888	0.882	0.876
Approved drugs	0.675	0.618	0.626	0.64	0.654	0.663	0.672	0.68
TCM-Mesh	0.812	0.782	0.787	0.794	0.799	0.803	0.805	0.807
IMPPAT 2.0	0.671	0.649	0.663	0.669	0.678	0.685	0.688	0.691
CMAUP	0.785	0.766	0.781	0.781	0.784	0.788	0.792	0.796
NPATLAS-Bacteria	0.79	0.778	0.784	0.795	0.805	0.813	0.82	0.827
NPATLAS-Fungi	0.849	0.856	0.863	0.866	0.867	0.867	0.867	0.867
MEGx	0.868	0.857	0.851	0.855	0.857	0.859	0.859	0.859
NATx	0.994	0.991	0.986	0.985	0.985	0.985	0.984	0.984
MACROx	0.94	0.95	0.952	0.953	0.955	0.956	0.957	0.957

^aThe table provides the computed SSE values for the 5 most populated scaffolds (SSE5) to the computed SSE values for the 70 most populated scaffolds (SSE70) for different chemical libraries.