Consensus Diversity Plots: a global diversity analysis of chemical libraries

Table 2 Summary of scaffold diversity analysis

Data set	N	N/M	N_sing	N_sing/N	N_sing/M	AUC	F₅₀
MEGx	935	0.374	642	0.687	0.257	0.781	0.072
NATx	799	0.320	400	0.501	0.160	0.768	0.116
GRAS	238	0.106	150	0.630	0.067	0.926	0.004
GRAS subset	237	0.198	150	0.633	0.126	0.867	0.021
Carcinogenic	262	0.355	195	0.744	0.264	0.800	0.031
Carcinogenic subset	261	0.480	195	0.747	0.450	0.737	0.107
Anticancer drugs	70	0.921	65	0.929	0.855	0.537	0.457
Non-anticancer drugs	844	0.572	686	0.813	0.465	0.699	0.157
Clinical	603	0.846	565	0.937	0.792	0.576	0.409
Epigenetic focused	727	0.855	666	0.916	0.784	0.569	0.415

N number of chemotypes, M number of molecules, N _sing number of singletons, AUC area under the curve, F ₅₀ fraction of chemotypes that contains 50% of the data set

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