Virtual SAR Enrichment and Diverse Scaffold Generation. After completing the two filtering steps, the dataset is now ready for virtual SAR enrichment analysis. Firstly, the molecules that passed the SAscore, QED score, and GBVI/WSA ΔG score filters were defined as virtual hits. Taking into account the variation in binding pockets across different protein families, the workflow facilitated incremental exploration of virtual SAR enrichment analysis by employing a range of GBVI/WSA ΔG score cutoffs, starting from GBVI/WSA ΔG score of -6 and incrementing in intervals of -0.1. This ensured the generation of 100 to 200 top diverse hit SAR scaffolds.