The present in vitro study was designed to explore antiperoxidative potential of 28 structurally diverse classes of antioxidants on docetaxel-induced lipid peroxidation (LPO). Both experimental and in silico approaches were adopted to explore the potential of antioxidants. Goat liver tissue homogenate was used as source of lipid. Estimation of malondialdehyde in liver tissue homogenate was used as model marker for docetaxel-induced LPO. The computational part of the present study was confined to QSAR analysis of 28 structurally diverse classes of antioxidants having LPO-inhibition potency induced by docetaxel for better understanding of structural features necessary for their LPO-inhibition properties. The study was performed with freely available online 2D descriptor on PaDEL-Descriptors (open source). Stepwise regression analysis was used as chemometric tool. The study showed the LPO induction capacity of docetaxel. Butylated hydroxyl toluene demonstrated highest potential (−21.3 %) and hesperidin the lowest potential (14.36 %) to suppress the docetaxel-induced LPO. The computational study indicates the importance of topological distances among atoms with in a molecule, specific branching pattern relative to molecular size presents in a molecule required for the LPO-inhibition activity. The developed model was validated both internally and externally by using several parameters.