**Abstract**

Radiopharmaceuticals contain radionuclides and pharmaceuticals. Research on radiopharmaceuticals has been increasing in recent years by increasing the importance of early diagnosis in diseases. It is generally accepted that investigation and development of new radiopharmaceuticals are time and resource consuming. Computational methods have provided exciting contributions to pharmaceutical research and development. The need for designing new radiopharmaceutical drugs enhances the importance of computational programs. At this point, the structure, chemical, physical and physicochemical properties of molecules should be predicted/evaluated by using computational methods. While these methods obtain useful estimates, they make it easier for researchers and clinicians to make the right choices. Also, by providing accurate and effective results, they contribute to reduce the cost of research and can be used to simulate complex biochemical situations before research helping us to avoid harmful effects of drugs. In this study, authors emphasis about radiopharmaceuticals and the computational tools related to the development of new radiopharmaceuticals.

**Keywords:** computational method, radiopharmaceutical
