Methods: The present systematic and meta-analytical review study was conducted in 2020. Chemoinformatics includes logical design, creation, organization, management, retrieval, analysis, dissemination of information, visualization and use of chemical information. This science is not only successful in the discovery and development of chemical drugs, but correspondingly in the development of biological products (vaccines, antibodies). The four main well-developed methods in drug informatics design include; High-yield virtual screening is based on molecular docking, quantitative correlation of activity structure, pharmacophore search, and fragment-based design. Therefore, the methods were reviewed and the advantages and disadvantages were introduced based on the evaluation of the results of studies and related articles.

Results: The results and high quality of analysis of small molecules and biomolecules and evaluations of their interactions and behavior can lead to the cost of time and manpower in achieving the ideal drugs for various diseases. Therefore, it can be of great help not only in the field of treatment and prevention but also in the diagnosis and tracking of infectious and non-infectious agents.

Conclusion: In the present study, effort has been made to clarify new parts of the drug design and engineering with the help of bioinformatics science for its use for Iranian researchers in the field of research and production. This can lead to innovative solutions in accessing better-performing drugs.