Regression Analysis of Topological Indices and Physicochemical Properties of Polymer-Based Anticancer Drugs

Year : 2026 | Volume : 14 | Special Issue 01 | Page : 255 267
    By

    Senbagamalar J.,

  • V. Gomathi,

  • N. Kumaran,

  • Hossein Rashmanlou,

  1. Associate Professor, Department of Mathematics, Vel Tech Rangarajan Dr. Sagunthala R&D Institute of Science and Technology, Morai, Tamil Nadu, India
  2. Research Scholar, Department of Mathematics, Vel Tech Rangarajan Dr. Sagunthala R&D Institute of Science and Technology, Morai, Tamil Nadu, India
  3. Associate Professor, Department of Mathematics, Vel Tech Rangarajan Dr. Sagunthala R&D Institute of Science and Technology, Morai, Tamil Nadu, India
  4. Researcher, School of Physics, Damghan University, Damghan, Iran

Abstract

The research analyzed the quantitative correlation between topological indices and the physicochemical properties of selected anticancer compounds using regression analysis. Various topological descriptors—such as the First Zagreb Index, Second Zagreb Index, and Forgotten Index were calculated and regressed against key molecular features, including polar surface area, melting point, and molar refractivity. The regression analysis revealed linear correlations between these topological indices and the properties of anticancer drugs, with particularly strong associations observed for degree-based indices. The study demonstrates that graph-theoretical indices can effectively predict molecular behavior, offering valuable insights for evaluating the structure of anticancer agents. Overall, the research presents a computational tool that is both useful and cost-effective for drug discovery and development, providing a practical method for estimating relevant molecular properties without the need for time-consuming experimental procedures. This computational strategy enhances the efficiency of drug design by allowing researchers to forecast properties early in the development process, thereby accelerating the discovery of new therapeutic agents. This work underscores the significance of topological indices in pharmaceutical engineering, particularly in the design and development of anticancer drugs. Use of such indices not only simplifies the drug development process but also deepens the understanding of molecular structures and their efficacy. The findings support the use of topological indices as a foundational element in pharmaceutical research and drug design. Incorporating these indices into the drug design pipeline can substantially improve the predictive accuracy for molecular behavior, leading to more effective and targeted cancer therapies and, ultimately, better patient outcomes in the context of personalized medicine.

Keywords: Anticancer drugs, degree, regression analysis, correlation.

[This article belongs to Special Issue under section in Journal of Polymer & Composites (jopc)]

How to cite this article:
Senbagamalar J., V. Gomathi, N. Kumaran, Hossein Rashmanlou. Regression Analysis of Topological Indices and Physicochemical Properties of Polymer-Based Anticancer Drugs. Journal of Polymer & Composites. 2026; 14(01):255-267.
How to cite this URL:
Senbagamalar J., V. Gomathi, N. Kumaran, Hossein Rashmanlou. Regression Analysis of Topological Indices and Physicochemical Properties of Polymer-Based Anticancer Drugs. Journal of Polymer & Composites. 2026; 14(01):255-267. Available from: https://journals.stmjournals.com/jopc/article=2026/view=235503


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Special Issue Subscription Review Article
Volume 14
Special Issue 01
Received 17/06/2025
Accepted 07/07/2025
Published 01/01/2026
Publication Time 198 Days
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