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

Xiujun Zhang, Zainab Saeed Bajwa, Shahid Zaman, Sidra Munawar, and Dan Li

School of Computer Science, Chengdu University, Chengdu, China



Received: 14 July 2023  Accepted: 5 October 2023


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.

Keywords: Curve fitting model; Degree-based topological indices; Drugs; Blood cancer; 05C31; 05C07; 92E10; 05C12; 05C09; 05C92

Full paper is available at

DOI: 10.1007/s11696-023-03143-1


Chemical Papers 78 (2) 1055–1068 (2024)

Monday, May 27, 2024

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