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. 2017 Apr 3;8:180. doi: 10.3389/fphar.2017.00180

Table 2.

Results of different chemotypes diversity analyses on the data sets.

Database N N/M Nsing Nsing/N Nsing/M AUC F50
Fungal metabolites 131 0.587 87 0.664 0.390 0.664 0.244
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
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

N, number of chemotypes; M, number of molecules; Nsing, number of singletons; AUC, area under the curve; F50, fraction of chemotypes that contains 50% of the data set.