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      Multicriteria decision making attributes and estimation of physicochemical properties of kidney cancer drugs via topological descriptors

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          Abstract

          Based on topological descriptors, QSPR analysis is an incredibly helpful statistical method for examining many physical and chemical properties of compounds without demanding costly and time-consuming laboratory tests. Firstly, we discuss and provide research on kidney cancer drugs using topological indices and done partition of the edges of kidney cancer drugs which are based on the degree. Secondly, we examine the attributes of nineteen drugs casodex, eligard, mitoxanrone, rubraca, and zoladex, etc and among others, using linear QSPR model. The study in the article not only demonstrates a good correlation between TIs and physical characteristics with the QSPR model being the most suitable for predicting complexity, enthalpy, molar refractivity, and other factors and a best-fit model is attained in this study. This theoretical approach might benefit chemists and professionals in the pharmaceutical industry to forecast the characteristics of kidney cancer therapies. This leads towards new opportunities to paved the way for drug discovery and the formation of efficient and suitable treatment options in therapeutic targeting. We also employed multicriteria decision making techniques like COPRAS and PROMETHEE-II for ranking of said disease treatment drugs and physicochemical characteristics.

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          Most cited references38

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          Topological index based on the ratios of geometrical and arithmetical means of end-vertex degrees of edges

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            Degree-Based Topological Indices

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              Kidney cancer: The next decade

              Chris Boshoff, Senior Vice President of Immuno-Oncology, Translational and Early Development at Pfizer, and colleagues Samra Turajlic and Charles Swanton from the Francis Crick Institute and University College London give us their personal point of view on new insights and future therapeutic approaches for renal cancer.
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                Author and article information

                Contributors
                Role: ConceptualizationRole: Formal analysisRole: InvestigationRole: MethodologyRole: SoftwareRole: ValidationRole: VisualizationRole: Writing – review & editing
                Role: ConceptualizationRole: Data curationRole: Formal analysisRole: InvestigationRole: MethodologyRole: Project administrationRole: ValidationRole: VisualizationRole: Writing – review & editing
                Role: ConceptualizationRole: Data curationRole: Formal analysisRole: InvestigationRole: MethodologyRole: SoftwareRole: ValidationRole: VisualizationRole: Writing – original draft
                Role: ConceptualizationRole: Formal analysisRole: InvestigationRole: MethodologyRole: SoftwareRole: SupervisionRole: ValidationRole: VisualizationRole: Writing – review & editing
                Role: ConceptualizationRole: Formal analysisRole: InvestigationRole: MethodologyRole: ResourcesRole: SoftwareRole: ValidationRole: VisualizationRole: Writing – review & editing
                Role: ConceptualizationRole: Formal analysisRole: InvestigationRole: MethodologyRole: SoftwareRole: ValidationRole: Writing – review & editing
                Role: Editor
                Journal
                PLoS One
                PLoS One
                plos
                PLOS ONE
                Public Library of Science (San Francisco, CA USA )
                1932-6203
                7 May 2024
                2024
                : 19
                : 5
                : e0302276
                Affiliations
                [1 ] Special Interest Group on Modeling and Data Analytics, Faculty of Computer Science and Mathematics, Universiti Malaysia Terengganu, Nerus, Terengganu, Malaysia
                [2 ] Department of Mathematics, Faculty of Sciences, Ghazi University, Dera Ghazi Khan, Pakistan
                [3 ] Department of Mathematics and Statistics, De La Salle University, Malate Manila, Metro Manila, Philippines
                [4 ] Mathematics Department, College of Science, King Saud University, Riyadh, Saudi Arabia
                [5 ] Energy Engineering Division, Department of Engineering Science and Mathematics, Lulea University of Technology, Lulea, Sweden
                Industrial University of Ho Chi Minh City, VIET NAM
                Author notes

                Competing Interests: The authors have declared that no competing interests exist.

                Author information
                https://orcid.org/0000-0002-4709-3860
                https://orcid.org/0000-0002-3973-703X
                https://orcid.org/0000-0002-6037-6769
                https://orcid.org/0000-0001-7855-508X
                Article
                PONE-D-24-04539
                10.1371/journal.pone.0302276
                11075897
                38713692
                c8d38e24-ebb7-4fe1-b810-710462d37bec
                © 2024 Husin et al

                This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.

                History
                : 2 February 2024
                : 29 March 2024
                Page count
                Figures: 6, Tables: 15, Pages: 19
                Funding
                The author(s) received no specific funding for this work.
                Categories
                Research Article
                Medicine and Health Sciences
                Nephrology
                Renal Cancer
                Medicine and Health Sciences
                Oncology
                Cancer Treatment
                Biology and Life Sciences
                Anatomy
                Renal System
                Kidneys
                Medicine and Health Sciences
                Anatomy
                Renal System
                Kidneys
                Medicine and Health Sciences
                Pharmaceutics
                Drug Therapy
                Computer and Information Sciences
                Data Management
                Data Visualization
                Infographics
                Graphs
                Medicine and Health Sciences
                Oncology
                Medicine and Health Sciences
                Pharmacology
                Drug Research and Development
                Drug Discovery
                Physical Sciences
                Mathematics
                Topology
                Custom metadata
                All available data is presented in this article.

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