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The cumulative experimental rank (vertical axis) is plotted as a function of the calculated (horizontal axis). The top five ligands from the computations are: 40, 27, 10, 47, 8 ; the experimental top five are: 10, 1, 27, 11, 38. The worse ten ligands from the computations are: 9, 43, 51, 6, 5, 21, 23, 56, 31, 17; the experimental worst ten are: 51, 4, 5, 6, 17, 23, 29, 30, 36, 43.
