Computational simulation of energy-based molecular characteristics and their statistical evaluation for anti-blood medicines

Abstract

Cancer is a medical condition characterized by the abnormal growth and reproduction of cells in a specific region of the body. Blood cancer is a form of malignancy that originates in the bone marrow, the vital site where blood cells are produced. In this article, QSPR analysis on anti-cancer drugs was made with the implication of various energies. The results highlight the immense potential of energies as a valuable tool for drug discovery and design within the realm of cancer treatment. This study showcases the significant role that graph theory and energies play in advancing the development of anti-cancer drugs. Furthermore, the findings underscore the importance of employing quantitative structure-property relationship (QSPR) analysis in this domain. Certain energies exhibit a very high correlation with physical and chemical characteristics of drugs. Although the values of p are significant for almost all pharmacological properties. This analysis revealed that the graphical energies determined in this article could assist chemists and other pharmaceutical professionals in developing novel medications. This technique aims to offer a low-cost way to identify the physicochemical characteristics of medications.