 QSPR Modeling with Topological Indices of Some Potential Drug Candidates against COVID-19Özge Çolakoğlu and M. T. Rahim Journal of Mathematics, 2022, vol. 2022, 1-9 Abstract: COVID-19, which has spread all over the world and was declared as a pandemic, is a new disease caused by the coronavirus family. There is no medicine yet to prevent or end this pandemic. Even if existing drugs are used to alleviate the pandemic, this is not enough. Therefore, combinations of existing drugs and their analogs are being studied. Vaccines produced for COVID-19 may not be effective for new variants of this virus. Therefore, it is necessary to find the drugs for this disease as soon as possible. Topological indices are the numerical descriptors of a molecular structure obtained by the molecular graph. Topological indices can provide information about the physicochemical properties and biological properties of molecules in the quantitative structure-property relationship (QSPR) and quantitative structure-activity relationship (QSAR) studies. In this paper, some analogs of lopinavir, favipiravir, and ritonavir drugs that have the property of being potential drugs against COVID-19 are studied. QSPR models are studied using linear and quadratic regression analysis with topological indices for enthalpy of vaporization, flash point, molar refractivity, polarizability, surface tension, and molar volume properties of these analogs. Date: 2022 Downloads: (external link) Related works: Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text Persistent link: https://EconPapers.repec.org/RePEc:hin:jjmath:3785932 DOI: 10.1155/2022/3785932 Access Statistics for this article More articles in Journal of Mathematics from Hindawi |
Is your work missing from RePEc? Here is how to contribute.
Questions or problems? Check the EconPapers FAQ or send mail to .
EconPapers is hosted by the
School of Business at Örebro University.