QSPR analysis of anti‐asthmatic drugs using some new distance‐based topological indices: A comparative study

Author:

Balasubramaniyan Deepa1ORCID,Chidambaram Natarajan1ORCID,Ravi Vignesh2ORCID,Siddiqui Muhammad Kamran3ORCID

Affiliation:

1. Department of Mathematics, Srinivasa Ramanujan Centre SASTRA Deemed to be University Kumbakonam Tamil Nadu India

2. Department of Mathematics Vellore Institute of Technology Chennai Tamil Nadu India

3. Department of Mathematics COMSATS University, Islamabad, Lahore Campus Lahore Pakistan

Abstract

AbstractAsthma 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.

Publisher

Wiley

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