To select candidates for synthesis and testing, the de novo proposals were filtered down. First the top 1,000 unique molecules from each experiment, based on the multi-objective desirability score, were visually inspected. From this, 427 molecules of interest were selected based on the predicted binding pose. Analysis of these 427 compounds revealed that 6 were already known ligands (i.e. 98.6% were novel with respect to known ligands) and 8 were available for purchase in vendor libraries (i.e. 98.1% were novel with respect to commercial libraries). The majority (75.6%) contained known A 2A chemotypes providing confidence that the chemistry was novel yet relevant. To estimate synthetic feasibility, AiZynthFinder , which has a reported accuracy of up to 80% , was used to predict synthetic routes. 71% of the 427 molecules were predicted to be synthesisable via a proposed synthetic route.