QSPR analysis of drugs for anti-hypertension using degree based topological indices through M-polynomial and NM-polynomial

Abstract

Abstract There are several uses for chemical graph theory in experimental science, medicine, drug development, and clinical studies. The statistical characteristics of medications have been developed and determined by topological descriptors. To extract a quantitative structural property/activity relationship (QSPR/QSAR), these indices can be employed alone or in conjunction with other numeric descriptors. Scientists are interested in investigating the chemical network's topology through QSPR investigations, employing specific mathematical constants and parameters derived from the molecular structures of networks. This paper focuses on using the M-polynomials and NM-polynomials of nine anti-hypertensive drugs to compute several degree-based topological indices. It is further shown that these topological descriptors have an excellent correlation with the physicochemical properties of considered anti-hypertensive drugs. Different statistical parameters are analyzed based on the collected results and conclusions are made for each parameter. Researchers exploring drug science in the pharmaceutical sector can utilize the findings to acquire a better understanding of the physical characteristics of newly discovered drugs that are used to treat various diseases. Mathematics Subject classification (2020): 92E10; 05C09; 05C31; 05C90; 05C92