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Chemical graph theory makes a connection between the sub-atomic structure of chemical compounds and mathematical models. Topological indices predict the physical properties of chemical compounds. The study of chemical structures using topological indices is a useful method for discovering their hidden topology. This approach has been widely applied in the fields of cheminformatics, biomedicine and bioinformatics. Many physical and chemical characteristics such as melting point, entropy, enthalpy of formation, and enthalpy of vaporization of chemical compounds can be predicted through these topological indices. Non-regular structures are typically characterized using irregularity measures. In this article, we have calculated the irregularity indices of certain chemical structures, namely, Camptothecin-Polymer Conjugate IT-101, Hyaluronic Acid-Curcumin conjugates and Hydroxychloroquine, having applications as anti-tumor and anti-Covid drugs, which may serve in predicting the certain physical properties such as the standard enthalphy vaporization and enthalpy of formation.

Irregularity Indices for Certain Anti-Tumor and Anti-Covid Drugs