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. Author manuscript; available in PMC: 2021 Jun 22.
Published in final edited form as: J Chem Inf Model. 2020 Jun 9;60(6):2838–2847. doi: 10.1021/acs.jcim.0c00352

Table 2:

Average percent enrichment at a ranking of 10% for classifiers. We consider both the performance of classifiers trained on the fragments selected in a single run (〈ϵ(10%)〉sing) and the performance of classifiers trained on the top nine fragments returned in at least 5 runs of the algorithm (〈ϵ(10%)〉top9). We report the average performance as the mean of the 28 means of the 5 classifiers along with the standard error in the mean.

Class ϵ(10%)〉sing (%) ϵ(10%)〉top9 (%)
0 65 ± 1 82.0 ± 0.5
1 32 ± 8 154 ± 2
2 134 ± 4 133 ± 2
3 126 ± 3 173 ± 3
4 107 ± 3 141 ± 2