Target selection for predictive model development was guided by the criteria established by Sánchez-Cruz and Medina-Franco. According to these guidelines, a target was deemed suitable for predictive modeling if it included at least 30 active and 30 inactive compounds, and if it had a MODI score of 0.7 or higher for at least one molecular representation. Based on these criteria, we selected the seven targets listed in Table for the construction of predictive models.