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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| Format: | Article |
| Language: | English |
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AIMS Press
2022-04-01
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| Series: | AIMS Mathematics |
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| Online Access: | https://www.aimspress.com/article/doi/10.3934/math.2022660?viewType=HTML |
| _version_ | 1811307899248443392 |
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| author | Sumiya Nasir Nadeem ul Hassan Awan Fozia Bashir Farooq Saima Parveen |
| author_facet | Sumiya Nasir Nadeem ul Hassan Awan Fozia Bashir Farooq Saima Parveen |
| author_sort | Sumiya Nasir |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-04-13T09:13:42Z |
| format | Article |
| id | doaj.art-9fc68897a6d2420892d78fcfdcc1be6f |
| institution | Directory Open Access Journal |
| issn | 2473-6988 |
| language | English |
| last_indexed | 2024-04-13T09:13:42Z |
| publishDate | 2022-04-01 |
| publisher | AIMS Press |
| record_format | Article |
| series | AIMS Mathematics |
| spelling | doaj.art-9fc68897a6d2420892d78fcfdcc1be6f2022-12-22T02:52:49ZengAIMS PressAIMS Mathematics2473-69882022-04-0177118291185010.3934/math.2022660Topological indices of novel drugs used in blood cancer treatment and its QSPR modelingSumiya Nasir0Nadeem ul Hassan Awan1Fozia Bashir Farooq2Saima Parveen 31. Department of Mathematics and Natural Sciences, College of sciences and Human Studies, Prince Mohammad Bin Fahd University, Khobar 31952, Saudi Arabia2. Department of Mathematics, Government College University Faisalabad, Pakistan3. Department of Mathematics and statistics, Imam Mohammad Ibn Saud Islamic University, Riyadh 11564, Saudi Arabia2. Department of Mathematics, Government College University Faisalabad, PakistanA 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.https://www.aimspress.com/article/doi/10.3934/math.2022660?viewType=HTMLdrugsblood cancerlinear qspr modeldegree-based topological indices |
| spellingShingle | 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 AIMS Mathematics drugs blood cancer linear qspr model degree-based topological indices |
| title | Topological indices of novel drugs used in blood cancer treatment and its QSPR modeling |
| title_full | Topological indices of novel drugs used in blood cancer treatment and its QSPR modeling |
| title_fullStr | Topological indices of novel drugs used in blood cancer treatment and its QSPR modeling |
| title_full_unstemmed | Topological indices of novel drugs used in blood cancer treatment and its QSPR modeling |
| title_short | Topological indices of novel drugs used in blood cancer treatment and its QSPR modeling |
| title_sort | topological indices of novel drugs used in blood cancer treatment and its qspr modeling |
| topic | drugs blood cancer linear qspr model degree-based topological indices |
| url | https://www.aimspress.com/article/doi/10.3934/math.2022660?viewType=HTML |
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