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

Sumiya Nasir; Nadeem ul Hassan Awan; Fozia Bashir Farooq; Saima Parveen; Sumiya Nasir; Nadeem ul Hassan Awan; Fozia Bashir Farooq; Saima Parveen

doi:10.3934/math.2022660

AIMS Mathematics

2022, Volume 7, Issue 7: 11829-11850. doi: 10.3934/math.2022660

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Research article Special Issues

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

1.
Department of Mathematics and Natural Sciences, College of sciences and Human Studies, Prince Mohammad Bin Fahd University, Khobar 31952, Saudi Arabia
2.
Department of Mathematics, Government College University Faisalabad, Pakistan
3.
Department of Mathematics and statistics, Imam Mohammad Ibn Saud Islamic University, Riyadh 11564, Saudi Arabia

Received: 05 December 2021 Revised: 20 February 2022 Accepted: 02 March 2022 Published: 19 April 2022
MSC : 05C09, 05C12, 05C31, 05C07, 05C92, 92E10

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.
- Drugs,
- blood cancer,
- linear QSPR model,
- degree-based topological indices
Citation: Sumiya Nasir, Nadeem ul Hassan Awan, Fozia Bashir Farooq, Saima Parveen. Topological indices of novel drugs used in blood cancer treatment and its QSPR modeling[J]. AIMS Mathematics, 2022, 7(7): 11829-11850. doi: 10.3934/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.

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