Fig. 4: Comparison with other tools.
From: Identifying small-molecules binding sites in RNA conformational ensembles with SHAMAN
From left to right, boxplots reporting the predictive quality of different binding site prediction tools evaluated by four statistical metrics for binary classifiers (Methods). A Binding site prediction on the holo-like systems (Tab. S1, red column, sample size n = 7) validated against the single corresponding experimental structure. B, C Binding site prediction on holo-like (B) and apo (C) systems (Tab. S1, red and cyan columns) against all the validation structures (Tab. S3 and S4, Methods, sample size n = 69). Each box represents the interquartile range between the first and third quartiles, with the median indicated by a horizontal black line. Outliers are marked as black diamonds.
