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The study of curve fitting models to analyze some degree-based topological indices of certain anti-cancer treatment

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Abstract

Topological indices are obtained from molecular graphs and are real numbers that can forecast the biological and physicochemical properties of several anti-cancer treatments, including skin cancer, breast cancer, and blood cancer. This article focuses on the application of topological indices in predicting the effectiveness of several drugs used to cure blood cancer, such as Pamidronic acid, Alpelisib, Prednisone, Olaparib, Ribociclib, Tucatinib, dexamethasone, docetaxel, Midostaurin, paclitaxel, toremifene, and venetoclax. The article investigates the mathematical relationships between physical and chemical qualities and data encoded in chemical structures under characteristics such as molecular weight, molar volume, and complexity. Several topological indices are used in this context to forecast the physicochemical characteristics of the drugs.

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Funding

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Authors and Affiliations

  1. School of Computer Science, Chengdu University, Chengdu, China

    Xiujun Zhang

  2. Department of Mathematics, University of Sialkot, Sialkot, 51310, Pakistan

    Zainab Saeed Bajwa & Shahid Zaman

  3. Department of Chemistry, University of Punjab, Lahore, Pakistan

    Sidra Munawar

  4. Division of Laboratory and Equipment Management, Chengdu University, Chengdu, China

    Dan Li

Authors
  1. Xiujun Zhang
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  2. Zainab Saeed Bajwa
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  3. Shahid Zaman
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  4. Sidra Munawar
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  5. Dan Li
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All authors have equally contributed to this manuscript in all stages, from conceptualization to the write up of final draft.

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Correspondence to Shahid Zaman.

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Zhang, X., Bajwa, Z.S., Zaman, S. et al. The study of curve fitting models to analyze some degree-based topological indices of certain anti-cancer treatment. Chem. Pap. 78, 1055–1068 (2024). https://doi.org/10.1007/s11696-023-03143-1

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  • DOI: https://doi.org/10.1007/s11696-023-03143-1

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