Then, to investigate the effect of score filtering, we analyzed the top scored of the generated compounds. Although the absolute value of aSNN was higher when we using top 500 (with the average aSNN across projects for low/middle/high/ultra-high activity being to those in the middle stage when performing the same analysis (Fig. , c and Fig. ). We can conclude that score filtering in the late stage is more difficult compared to the middle stage, and this might be derived from the greater time elapsed (and hence chemical space evolving)