Journal
CHEMICAL PAPERS
Volume -, Issue -, Pages -Publisher
SPRINGER INT PUBL AG
DOI: 10.1007/s11696-023-03143-1
Keywords
Curve fitting model; Degree-based topological indices; Drugs; Blood cancer
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This article discusses the application of topological indices in predicting the effectiveness of anti-cancer drugs, focusing on the mathematical relationships between these indices and physicochemical characteristics.
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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