Topological Indices of Novel Drugs Used in Diabetes Treatment and Their QSPR Modeling
Saima Parveen, Nadeem Ul Hassan Awan, Mogtaba Mohammed, Fozia Bashir Farooq, Nisha Iqbal
Abstract
A topological index is a real number obtained from the chemical graph structure. It is helpful to calculate the physicochemical and biological properties of numerous drugs. This is done through degree‐based topological indices. In this paper, acarbose, tolazamide, miglitol, prandin, metformin, and so on used to treat diabetes are discussed, and the purpose of the QSPR study is to determine the mathematical relation between the properties under investigation (e.g., boiling point and flash point) and different descriptors related to the molecular structure of the drugs. In this study, it is observed that topological indices (TIs) applied to said drugs have a good correlation with physicochemical properties in this course.