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

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Listed:
  • Saima Parveen
  • Fozia Bashir Farooq
  • Nadeem Ul Hassan Awan
  • Rakotondrajao Fanja
  • Muhammad Farooq Choudhary

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.

Suggested Citation

  • Saima Parveen & Fozia Bashir Farooq & Nadeem Ul Hassan Awan & Rakotondrajao Fanja & Muhammad Farooq Choudhary, 2022. "Topological Indices of Drugs Used in Rheumatoid Arthritis Treatment and Its QSPR Modeling," Journal of Mathematics, John Wiley & Sons, vol. 2022(1).
    • Handle: RePEc:wly:jjmath:v:2022:y:2022:i:1:n:1562125
    DOI: 10.1155/2022/1562125
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    References listed on IDEAS

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    1. Saima Parveen & Fozia Bashir Farooq & Nadeem Ul Hassan Awan & Rakotondrajao Fanja & Muhammad Farooq Choudhary & Muhammad Kamran Jamil, 2022. "Topological Indices of Drugs Used in Rheumatoid Arthritis Treatment and Its QSPR Modeling," Journal of Mathematics, Hindawi, vol. 2022, pages 1-11, August.
    2. Eshrag A. Refaee & Ali Ahmad & Muhammad Javaid, 2021. "A Study of Hexagon Star Network with Vertex-Edge-Based Topological Descriptors," Complexity, Hindawi, vol. 2021, pages 1-7, April.
    3. Saima Parveen & Nadeem Ul Hassan Awan & Mogtaba Mohammed & Fozia Bashir Farooq & Nisha Iqbal, 2022. "Topological Indices of Novel Drugs Used in Diabetes Treatment and Their QSPR Modeling," Journal of Mathematics, John Wiley & Sons, vol. 2022(1).
    4. Saima Parveen & Nadeem Ul Hassan Awan & Mogtaba Mohammed & Fozia Bashir Farooq & Nisha Iqbal & Gohar Ali, 2022. "Topological Indices of Novel Drugs Used in Diabetes Treatment and Their QSPR Modeling," Journal of Mathematics, Hindawi, vol. 2022, pages 1-17, May.
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