Topological indices of novel drugs used in blood cancer treatment and its QSPR modeling

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, azaci...

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Published inAIMS mathematics Vol. 7; no. 7; pp. 11829 - 11850
Main Authors Nasir, Sumiya, ul Hassan Awan, Nadeem, Farooq, Fozia Bashir, Parveen, Saima
Format Journal Article
LanguageEnglish
Published AIMS Press 01.01.2022
Subjects
blood cancer
degree-based topological indices
drugs
linear qspr model
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ISSN2473-6988
2473-6988
DOI10.3934/math.2022660

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Abstract 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.
AbstractList 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.
Author Farooq, Fozia Bashir
Nasir, Sumiya
Parveen, Saima
ul Hassan Awan, Nadeem
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  fullname: Parveen, Saima
  organization: Department of Mathematics, Government College University Faisalabad, Pakistan
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SubjectTerms blood cancer
degree-based topological indices
drugs
linear qspr model
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Title Topological indices of novel drugs used in blood cancer treatment and its QSPR modeling
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