To investigate the low performance on rediscovery, we evaluated RL thoroughly. Here, we compared the rediscovery and aSNN in FL and RL across all of targets and projects to investigate the effect of RL (Fig. , Table , Figure , Figure ). On the one hand, regarding the rediscovery, we could not reach a distinctive conclusion; the values in FL for all of 5,000/top 500/top 100 generated compounds were 0.13/0.80/3.00 (public dataset), 0.01/0.10/0.00 (in-house dataset), and those in RL were 0.21/0.64/1.60 (public dataset), 0.04/0.03/0.00 (in-house dataset) (Table ). The absolute values of the rediscovery were too low to compare and lead to a conclusion.