Open AccessTopological indices of novel drugs used in blood cancer treatment and its QSPR modeling
Author(s) -
Sumiya Nasir,
Nadeem Ul Hassan Awan,
Fozia Bashir Farooq,
Saima Parveen
Publication year - 2022
Publication title -
aims mathematics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.329
H-Index - 15
ISSN - 2473-6988
DOI - 10.3934/math.2022660
Subject(s) - quantitative structure–activity relationship , context (archaeology) , topological index , mathematics , medicine , pharmacology , topology (electrical circuits) , chemistry , stereochemistry , biology , combinatorics , paleontology
A topological index is a real number obtained from the chemical graph structure. It can predict the physicochemical and biological properties of many anticancer medicines like blood, breast and skin cancer. This can be done through degree-based topological indices.. In this article, the drugs, azacitidine, buslfan, mercaptopurine, tioguanine, nelarabine, etc. which are used in order to cure blood cancer are discussed and the purpose of the QSPR study is to determine the mathematical relation between the properties under investigation (eg, boiling point, flash point etc.) and different descriptors related to molecular structure of the drugs. It is found that topological indices (TIs) applied on said drugs have a good correlation with physicochemical properties in this context.