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Fig. 2 | Journal of Cheminformatics

Fig. 2

From: Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set

Fig. 2

Performance of the different methods in the random split validation, grouped by underlying algorithm and colored by metric used. On the left y-axis, and in blue the MCC is shown, while on the right y-axis and in red the BEDROC (α = 20) score is shown. Default, single class algorithms are shown, and for several algorithms the performance of PCM and multi-class implementations is shown. Error bars indicate SEM. Mean MCC is 0.49 (±0.04) and mean BEDROC is 0.85 (±0.03)

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