On QSPR Analysis of Molecular Descriptor and Thermodynamic Features of Narcotic Drugs

Abstract

The use of chemical graph theory has been increased in almost every field of science in the last two decades. The graph invariants called topological descriptor are the numbers used to understand the physical and chemical properties of compounds. The use of narcotics causes many health and social issues in society. Narcotic drug addiction results in decreased pain perception, euphoria, dizziness, physical dependence, decreased breathing, and sleepiness in people. The overuse of narcotics may cause death. For the care and treatment of drug addictions, special health institutes provide proper medicines. The structures of narcotic drugs are explored with the help of degree-based graph invariants. In this article, we used degree-based topological indices to estimate the properties of narcotic drugs. Moreover, we have obtained that the topological indices utilize the antinarcotics drugs have a very strong correlation with the physicochemical properties mentioned in this manuscript.

Keywords:

• Topological indices
• narcotics drugs
• molecular graphs
• vertex degree
• correlation
• physicochemical properties

Acknowledgment

This research received no funding.

Disclosure statement

No potential conflict of interest was reported by the author(s).

Data availability statement

In this article, no data were utilized.