Antiviral drugs commonly exhibit diverse structural scaffolds, including adenine derivatives and privileged frameworks that facilitate interactions with multiple viral mechanisms. These compounds frequently feature key atoms such as nitrogen, oxygen, and carbon, which play critical roles in their biological activity and contribute to their structural diversity. As presented in the Supporting information, Fig. shows the most frequent ring systems in the training data sets, while Figs. S4 and S5 depict the predominant scaffolds and ring systems in the VS data set, respectively. Not surprisingly, the benzene ring was the most frequent scaffold and ring system, reflecting its ubiquitous presence across the chemical data set. Notably, the top ring systems in the VS data set has a high prevalence of nitrogen-containing rings, a feature that holds significant promise for enhancing antiviral activity due to their well-established role in molecular recognition and binding to viral targets. 76,77