In Figure , we show that ROSHAMBO retrieves an average of 8 hits per target when screening just the top-scoring 1% of molecules, and an average of 16 hits per target when screening just the top-scoring 5% of molecules. This corresponds to hit rates of 27% and 10%, respectively. This shows marked enrichment in terms of active compounds, as the overall ratio of active compounds for these datasets is only 2%. The number of hits increases as more molecules are screened, while hit rates decrease. Of course, there are cases where shape does not serve as an effective classifier of ligand activity (e.g. FA10, FGFR1, KIT, and PTN1), but these limitations applied for both shape similarity tools we evaluated.