A similar plot of the Tanimoto similarity to the best scoring molecule for each target vs docking score (Figure ) also shows no correlation. The minimum and maximum similarity to the best scoring molecules are in the range of about 0.2 -0.6 and indicting a great deal of structural diversity among the 100 best scoring molecules for each target. The GA+Filters+SA docking methodology is thus effective in generating a large and diverse set of synthetically accessible molecules with high docking scores for a particular target. Inspection of the top scoring molecules obtained with both filters and a score modifier (Figures 1 (final column) and S2) reveal fairly ordinary looking organic molecules except that the charged states for CM and BCD (Figures and) are not reasonable for a pH of 7. Future studies using this approach will need to correct this by, for example, including additional filters or adding a term to the score that penalizes large deviations from empirically estimated pK a values.