A benchmark driven guide to binding site comparison: An exhaustive evaluation using tailor-made data sets (ProSPECCTs)
Table 5
Sensitivity (se) and specificity (sp) values for data set 7 using different score cut-offs.
The score thresholds to discriminate similar and dissimilar site pairs were determined using the ROC-based Youden’s J statistic[85] based on data set 1 and data set 7. Both thresholds were applied for sensitivity and specificity calculations. The rank column gives the rank of the respective method within all methods for the corresponding sensitivity. Sensitivity and specificity values for thresholds that were assigned by the methods’ developers are given in brackets. For SiteAlign, Shaper, VolSite/Shaper, and TIFP, the corresponding scoring measure is different from the one used in our study.