Table 2. Comparative Analysis of the Scaffold Diversity of the Secondary Metabolites in MeFSAT with Other Chemical Libraries^a.

chemical library	M	N	Nsing	N/M	Nsing/M	Nsing/N	AUC	P50
MeFSAT	1829	618	370	0.338	0.202	0.599	0.786	7.443
Approved drugs	2466	1270	1026	0.515	0.416	0.808	0.729	11.102
TCM-Mesh	10,127	3949	2629	0.39	0.26	0.666	0.77	8.787
IMPPAT 2.0	17,915	5184	3344	0.289	0.187	0.645	0.824	3.492
CMAUP	47,187	11,118	6181	0.236	0.131	0.556	0.837	3.913
NPATLAS-Bacteria	12,505	4234	2463	0.339	0.197	0.582	0.78	9.258
NPATLAS-Fungi	19,966	6414	3779	0.321	0.189	0.589	0.794	7.141
MEGx	6458	2566	1723	0.397	0.267	0.671	0.767	9.08
NATx	33,000	11,445	6370	0.347	0.193	0.557	0.764	11.769
MACROx	4306	2039	1329	0.474	0.309	0.652	0.719	16.037

^aHere, M is the size of the library, N is the total number of scaffolds (including the pseudo-scaffold for acyclic chemicals) in the library, N_sing is the total number of singleton scaffolds in the library, AUC is the area under the curve for the corresponding CSR curve, and P₅₀ is the percentage of scaffolds required to retrieve 50% of chemicals in the library.