GA +Filter +SA +Filter+SA <-9.0 <-10.0 ZINC <-9.0 <-10.0 (there are a few duplicates for some targets). Column 2 in Table shows the number of molecules that have better (more negative) scores than known binders to the four targets (Table ). Virtually all the molecules in the final populations have better scores than the known binders using the simpler HTVS scoring methodology. The average scores shown in Table show that the scores are not only better, but considerably better, than for the known binders, except for CM where the decrease is more modest (0.8 compared to 3.1-4.7). When using the more complex SP scoring function for CM the number of molecule with better scores drops to 4638 compared to 7963, indicating that any conclusions drawn below is likely to depend on the scoring function. However, given the computational expense of the SP scoring function and the relatively large number of docking simulations performed in this study we continue using the HTVS scoring function below.