On Topological Indices and QSPR Analysis of Drugs Used for the Treatment of Breast Cancer
POLYCYCLIC AROMATIC COMPOUNDS(2022)
Abstract
A topological index of graph G is a numerical quantity which describes its topology. If it is applied to molecular structure of a chemical compounds then it reflects the theoretical properties of the chemical compounds. In this article, well-known degree based topological indices are applied on chemical structures of medicine used for treatment of breast cancer. Chemical structure is considered as graph, where elements are taken as vertices and bounds between them are taken as edges. Further, QSPR analysis of said topological indices are discussed and it is shown that these topological indices are highly correlated with the physical properties of chemical compounds used for the treatment of breast cancer.
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Key words
Degree based topological indices, regression model and QSPR analysis
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