Topological Indices of Drugs Used in Rheumatoid Arthritis Treatment and Its QSPR Modeling

Saima Parveen, Fozia Bashir Farooq, Nadeem Ul Hassan Awan, Rakotondrajao Fanja, Muhammad Farooq Choudhary and Muhammad Kamran Jamil

Journal of Mathematics, 2022, vol. 2022, 1-11

Abstract: A topological index is a molecular descriptor derived from the molecular structure of a chemical substance. These indices can be used to analyze mathematical values and predict various physical properties of drugs. This article discusses tofacitinib, leflunomide, upadacinib, baricitinib, filgotinib, methotrexate, and other drugs used to treat rheumatoid arthritis, and the goal of the QSPR study is to calculate the relationship between the properties under investigation (e.g., boiling point, polarity, and molar volume) and molecular descriptors. Topological indices (TIs) were imposed on said drugs to calculate the correlation with physicochemical properties in this course.

Date: 2022
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Persistent link: https://EconPapers.repec.org/RePEc:hin:jjmath:1562125

DOI: 10.1155/2022/1562125

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