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

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 is...

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Published inPolycyclic aromatic compounds Vol. 44; no. 5; pp. 3079 - 3099
Main Authors Zhou, Hao, Mahboob, Abid, Rasheed, Muhammad Waheed, Ovais, Ali, Siddiqui, Muhammad Kamran, Cheema, Imran Zulfiqar
Format Journal Article
LanguageEnglish
Published Philadelphia Taylor & Francis 27.05.2024
Taylor & Francis Ltd
Subjects
Chemical compounds
Chemical properties
correlation
Drug addiction
Graph theory
Invariants
molecular graphs
Narcotics
narcotics drugs
Pain perception
Physicochemical properties
Sleep and wakefulness
Topological indices
Topology
vertex degree
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Summary: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.
ISSN:1040-6638
1563-5333
DOI:10.1080/10406638.2023.2230336