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1.
Article in English | MEDLINE | ID: mdl-37653626

ABSTRACT

BACKGROUND: Dominating David-derived networks are widely studied due to their fractal nature, with applications in topology, chemistry, and computer sciences. The use of molecular structure descriptors is a standard procedure that is used to correlate the biological activity of molecules with their chemical structures, which can be useful in the field of pharmacology. OBJECTIVE: This article's goal is to develop analytically closed computing formulas for eccentricity-based descriptors of the second type of dominating David-derived derived network. Thermodynamic characteristics, physicochemical properties, and chemical and biological activities of chemical graphs are just a few of the many properties that may be determined using these computation formulas. METHODS: Vertex sets were initially divided according to their degrees, eccentricities, and cardinalities of occurrence. The eccentricity-based indices are then computed using some combinatorics and these partitions. RESULTS: Total eccentricity, average eccentricity, and the Zagreb index are distance-based topological indices utilized in this study for the second type of dominating David-derived network, denoted as D_2 (m). CONCLUSION: These calculations will assist the readers in estimating the fractal and difficult-to-handle thermodynamic and physicochemical aspects of chemical structure. Apart from configuration and impact resistance, the D_2 (m) design has been used for fundamental reasons in a variety of technical and scientific advancements.

2.
Math Biosci Eng ; 20(2): 3838-3853, 2023 01.
Article in English | MEDLINE | ID: mdl-36899607

ABSTRACT

Cancer is a disease that causes abnormal cell formation and spreads throughout the body, causing harm to other organs. Breast cancer is the most common kind among many of cancers worldwide. Breast cancer affects women due to hormonal changes or genetic mutations in DNA. Breast cancer is one of the primary causes of cancer worldwide and the second biggest cause of cancer-related deaths in women. Metastasis development is primarily linked to mortality. Therefore, it is crucial for public health that the mechanisms involved in metastasis formation are identified. Pollution and the chemical environment are among the risk factors that are being indicated as impacting the signaling pathways involved in the construction and growth of metastatic tumor cells. Due to the high risk of mortality of breast cancer, breast cancer is potentially fatal, more research is required to tackle the deadliest disease. We considered different drug structures as chemical graphs in this research and computed the partition dimension. This can help to understand the chemical structure of various cancer drugs and develop formulation more efficiently.


Subject(s)
Antineoplastic Agents , Breast Neoplasms , Female , Humans , Breast Neoplasms/genetics , Antineoplastic Agents/therapeutic use , Signal Transduction , Risk Factors
3.
Molecules ; 28(2)2023 Jan 05.
Article in English | MEDLINE | ID: mdl-36677612

ABSTRACT

A branch of graph theory that makes use of a molecular graph is called chemical graph theory. Chemical graph theory is used to depict a chemical molecule. A graph is connected if there is an edge between every pair of vertices. A topological index is a numerical value related to the chemical structure that claims to show a relationship between chemical structure and various physicochemical attributes, chemical reactivity, or, you could say, biological activity. In this article, we examined the topological properties of a planar octahedron network of m dimensions and computed the total eccentricity, average eccentricity, Zagreb eccentricity, geometric arithmetic eccentricity, and atom bond connectivity eccentricity indices, which are used to determine the distance between the vertices of a planar octahedron network.

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