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The book entitled "Computational studies among the Metallopharmaceuticals compound" include field of science that combines mathematics with chemistry is called computational chemistry. It is responsible for obtaining a relationship called quantitative structure-property relationship (QSPR) or structural work relationship (QSAR). QSAR, the most widely used terminology based on a network communication (SAR) method. QSAR is the study of how the physicochemical properties of a series of compounds affect their biological activity. Physiochemical features or theoretical definitions of chemical or drug molecules are measured or calculated and these are related to biological functions using mathematical calculations. There are many software programs that help to obtain statistics, but it is up to the medical chemist to decide which data to enter. Obviously, the biological function of each compound should be included, but the pharmacist should determine which physical features may be mostimportant for biological activity.