Figure 9.

Performance of 18 scoring functions on the PDBbind benchmark as measured by Pearson’s correlation coefficient (Rp), Spearman’s correlation coefficient (Rs), and standard deviation of the difference between predicted and measured binding affinity (SD). The three plots on the right visually show the relative predictive power of RF-Score (“x” signs) against that of the other 17 scoring functions (“+” signs). NHA is the performance of a linear regression model with the number of heavy atoms of the ligand as only variable (this baseline is shown as a horizontal discontinuous line in the plots).