Objective:To study the pharmacological properties of Tougu Xiaotong Granule(透骨消痛颗粒, TGXTG) in preventing and treating knee osteoarthritis(KOA) at the molecular level.Methods:The computational methods,including principal component analysis,molecular docking,target-ligand space distribution,and the predictions of absorption,distribution,metabolism,excretion and toxicity(ADMET),were introduced to characterize the molecules in TGXTG.Results:The structural properties of molecules in TGXTG were more diverse th...