Abstract: Computer-based quantitative structure-activity relationship (QSAR) model has been becoming a powerful tool in drug design in this study, the basic principle of Quantitative structure-activity relationships (QSAR) is introudced;and the paper summarized emphatically the main principle and the steps of an establishing QSAR model if Quasi-atomistic receptor models that is one of QSAR methods, as well as some research and application progress of this method in medicine design.The obtained result can provide a feasible and practical tool for the drug design.