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Fig. 4 | Journal of Cheminformatics

Fig. 4

From: Mapping the 3D structures of small molecule binding sites

Fig. 4

ROC curves assessing the ability of fpocket descriptors Score, Volume and Druggability Score to identify the 3446 ligand-bound binding sites derived from the PDBbind refined set (2014) over other detected cavities. Curves shown for fpocket a default parameters, and b modified parameters; the threshold corresponding to 95% recall is shown on each plot. c Mean number of cavities detected per protein structure before and after the 95% recall filter was applied for both default and modified fpocket parameters

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