Binary Classification Performance of Several Propensity Scores and Tertiary Structure-derived Residue Measures.

aThe values of these measures are all presented here with the format: mean ± standard deviation. A plus (+) after an abbreviation for certain measures indicates that hydrogen atoms were restored/added before those measures were calculated. See Figures 2 and 3 for the meaning of abbreviations used for these measures.bFor convenience, the optimal decision threshold of a score was determined as the score value corresponding to the point nearest to point (0,1) on the ROC curve [98]. The sensitivity, specificity and MCC were obtained at the listed decision thresholds.