All the 1000 anti-TB compounds were gathered and categorized into three sets based on cell lines, specifically pIC50, pMIC50, and pMIC90 values. For pIC50, five cell lines were chosen, four cell lines were selected for pMIC50, and nine cell lines were picked for pIC90, as outlined in Table . The values of selected descriptors and predicted activities, derived from Multi Linear Regression (MLR) and cross-validation of regression coefficient (CV) methods on the training set and test set, are presented in