Abstract Quantitative structure-activity relationship (QSAR) methods are important for prediction of biological effect of chemical compounds based on mathematical and statistical relations. Quantitative structure-property relationship (QSPR) approaches determine the physiochemical properties based on the molecular features of various compounds. These ligand-based computational screening approaches are a great alternative to cost and labor-intensive screening experiments carried out in laboratories. Here, we first describe the rationale behind QSAR, different types of QSAR, the major steps involved in the construction and validation of QSAR models. We then move to review the advancements in QSAR strategy to find solutions for accurate property prediction. We conclude by discussing some examples in which QSAR approaches were able to provide reliable predictions on the biological activity of target molecules.