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

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,...

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Published in:Journal of mathematics (Hidawi) 2022-01, Vol.2022 (1)
Main Authors: Parveen, Saima, Farooq, Fozia Bashir, Awan, Nadeem Ul Hassan, Fanja, Rakotondrajao, Choudhary, Muhammad Farooq
Format: Article
Language:English
Subjects:
Arthritis
Biological activity
Boiling points
Drugs
Mathematics
Methotrexate
Molar volume
Molecular structure
Physical properties
Regression analysis
Rheumatoid arthritis
Topology
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description 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.
doi_str_mv 10.1155/2022/1562125
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subjects Arthritis
Biological activity
Boiling points
Drugs
Mathematics
Methotrexate
Molar volume
Molecular structure
Physical properties
Regression analysis
Rheumatoid arthritis
Topology
title Topological Indices of Drugs Used in Rheumatoid Arthritis Treatment and Its QSPR Modeling
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