Preparation of the Dataset Approximately 1000 anti-TB compounds were gathered, along with their experimental biological activity measured by minimum inhibitor concentration (MIC50) and inhibitor concentration (IC50) values, sourced from literature references . Subsequently, we conducted a QSAR study to analyze both the biological activity data and structural diversity. The original IC50 and MIC50 values were transformed into their corresponding pIC50 and pMIC50 values, as presented in Table and Table . The datasets encompass anti-TB compounds exhibiting inhibitory potency against 13 distinct cell lines, detailed in Table . All pMIC50 and pIC50 values were denoted in micro-molar (µM) units and were calculated by applying the formula pMIC = -log MIC.