On entropy measures for molecular structure of remdesivir system and their applications
Caicai Feng, Mehwish Hussain Muhammad, Muhammad Kamran Siddiqui, Syed Ajaz K. Kirmani, Shazia Manzoor, Muhammad Farhan Hanif · International Journal of Quantum Chemistry · 2022
Abstract In medical sciences, the molecular structure is discussed under the consideration of the topological index, and related biological, pharmaceutical, medical and chemical properties of various drugs are examined by computing topological indices. Many scientific experiments are ongoing for the medication of COVID‐19 by using redeliver. In this paper, our objective is to calculate the degree‐based temperature indices and their respective temperature entropies for the molecular graph of remdesivir R. In this study, we derived some degree‐based temperature descriptors. Also, we computed temperature entropies of molecular structure by constructing the relation of degree‐based temperature descriptors with the help of specific information functions. Moreover, we analyzed and provided a graphical comparison of the calculated outcomes. These computed results maybe lead to the discovery of more effective drugs and modified vaccines for the overcome with COVID‐19.