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Fig. 5 | Journal of Cheminformatics

Fig. 5

From: A probabilistic molecular fingerprint for big data settings

Fig. 5

Performance comparison between MHFP6 2048-D and ECFP4 2048-D. Colors highlighting the difference in the AUC, EF1 and BEDROC20 values for 88 targets between MHFP6 2048-D (orange) and ECFP4 2048-D (green). MHFP6 significantly outperforms MHECFP4 in the AUC and EF1 metrics (see pairwise post hoc Friedman tests of the average rank results in Additional file 1: Fig. S6a). Comparisons to EF5, BEDROC100, RIE20 and RIE100 can be found in Additional file 1: Fig. S2, comparisons of all metrics between MHFP6 and MHECFP4 (both 2048-D) in Additional file 1: Fig. S3

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