Chemical Application of Topological Indices in Infertility Treatment Drugs and QSPR Analysis
The main challenges faced by medical researchers while producing novel drugs are time commitment, amplified costs, creating a safety profile for the medications, reduced solubility, and a lack of experimental data. Chemical graph theory makes an important theoretical contribution to drug development...
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| Format: | Article |
| Language: | English |
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Wiley
2023-01-01
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| Series: | International Journal of Analytical Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2023/6928167 |
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| _version_ | 1832546820444651520 |
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| author | Sobia Sultana |
| author_facet | Sobia Sultana |
| author_sort | Sobia Sultana |
| collection | DOAJ |
| description | The main challenges faced by medical researchers while producing novel drugs are time commitment, amplified costs, creating a safety profile for the medications, reduced solubility, and a lack of experimental data. Chemical graph theory makes an important theoretical contribution to drug development and design by investigating the structural properties of molecules. To improve drug research and assess the effectiveness of treatments, topological indices aim to provide a mathematical representation of molecular structures. In this study, the author examined a number of recently used drugs, including tamoxifen, mesterolone, anastrozole, and letrozole which are used to treat infertility. We compute the topological descriptors with the limiting behaviors associated with these pharmaceutical drugs and offer degree-based topological parameters for them. We conducted a QSPR investigation on the prospective degree-based topological descriptors using quadratic, cubic, exponential, and logarithmic regression models. |
| format | Article |
| id | doaj-art-92312f1b14a04b749327b900420a2d9c |
| institution | Kabale University |
| issn | 1687-8779 |
| language | English |
| publishDate | 2023-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | International Journal of Analytical Chemistry |
| spelling | doaj-art-92312f1b14a04b749327b900420a2d9c2025-02-03T06:47:12ZengWileyInternational Journal of Analytical Chemistry1687-87792023-01-01202310.1155/2023/6928167Chemical Application of Topological Indices in Infertility Treatment Drugs and QSPR AnalysisSobia Sultana0Department of Mathematics and StatisticsThe main challenges faced by medical researchers while producing novel drugs are time commitment, amplified costs, creating a safety profile for the medications, reduced solubility, and a lack of experimental data. Chemical graph theory makes an important theoretical contribution to drug development and design by investigating the structural properties of molecules. To improve drug research and assess the effectiveness of treatments, topological indices aim to provide a mathematical representation of molecular structures. In this study, the author examined a number of recently used drugs, including tamoxifen, mesterolone, anastrozole, and letrozole which are used to treat infertility. We compute the topological descriptors with the limiting behaviors associated with these pharmaceutical drugs and offer degree-based topological parameters for them. We conducted a QSPR investigation on the prospective degree-based topological descriptors using quadratic, cubic, exponential, and logarithmic regression models.http://dx.doi.org/10.1155/2023/6928167 |
| spellingShingle | Sobia Sultana Chemical Application of Topological Indices in Infertility Treatment Drugs and QSPR Analysis International Journal of Analytical Chemistry |
| title | Chemical Application of Topological Indices in Infertility Treatment Drugs and QSPR Analysis |
| title_full | Chemical Application of Topological Indices in Infertility Treatment Drugs and QSPR Analysis |
| title_fullStr | Chemical Application of Topological Indices in Infertility Treatment Drugs and QSPR Analysis |
| title_full_unstemmed | Chemical Application of Topological Indices in Infertility Treatment Drugs and QSPR Analysis |
| title_short | Chemical Application of Topological Indices in Infertility Treatment Drugs and QSPR Analysis |
| title_sort | chemical application of topological indices in infertility treatment drugs and qspr analysis |
| url | http://dx.doi.org/10.1155/2023/6928167 |
| work_keys_str_mv | AT sobiasultana chemicalapplicationoftopologicalindicesininfertilitytreatmentdrugsandqspranalysis |