QSPR analysis of anti‐asthmatic drugs using some new distance‐based topological indices: A comparative study
Deepa Balasubramaniyan, C. Natarajan, Vignesh Ravi, Muhammad Kamran Siddiqui
Abstract
Abstract Asthma is a widespread disease that has affected more than 300 million people worldwide. There is no efficient or preventive treatment for this disease yet. Drug scientists are striving hard to discover a variety of medicines that can treat asthma effectively. Quantitative structure‐property relationship (QSPR) analysis of drugs used in the treatment of a specific disease through topological descriptors is one of the best techniques adopted by drug scientists to cut down unnecessary laboratory expenses. In this article, we have done a QSPR analysis to identify the best predictor for the six properties namely, boiling point, enthalpy, flash point, log P, molar volume, and molar refractivity of 19 different anti‐asthmatic drugs using a set of 16 distance‐based topological indices. Also, we compare our results with QSPR analysis done by using certain degree‐based indices for the chosen drugs and obtain new directions.