Three class of inhibitors Class 1: Class 1 for 𝐩𝐈𝐂 𝟓𝟎 cell lines In Set-1, Set-2, Set-3, and Set-4, a total of 47, 111, 53, and 52 compounds related to anti-TB infected cells, encompassing pIC50, pKi, H37Rv, human, and ribosome values, along with regression details, are presented in Table . The models for these sets, employing 7, 10, 6, and 6 descriptors, are highlighted, demonstrating the optimal models identified. To validate these Quantitative Structure-Activity Relationship (QSAR) models, a division into training and test sets was implemented. Test sets comprised 5, 9, 7, and 5 randomly selected inhibitors, while the remaining 47, 102, 46, and 47 inhibitors were allocated to training sets. Statistical parameters for both models, with and without test set division, are detailed in Table . The combination of 7, 10, 6, and 6 descriptors exhibited notable R2 (0.70) and R2cv (0.52) for Set-1, R2 (0.63) and R2cv (0.55) for Set-2, R2 (0.81) and R2cv (0.76) for Set-3, and R2 (0.70) and R2cv (0.56) for Set-4. The correlation between experimental and predicted values is depicted in Figure for Set-2, Set-6, and Set-7, with test set inhibitors highlighted in red. These plots affirm the validity of predicting test set inhibitors, indicating the utility of these models for predicting unknown compounds. ). Figure further displays the plots between experimental and predicted pMIC50 values for Sets 5 to 8. . For Sets 9-14, the plot between experimental and predicted values is shown in Figure .