Results 31 to 40 of about 446,524 (307)
On Irregularity Measures of Some Dendrimers Structures
Mathematics, 2019 A graph is said to be a regular graph if all its vertices have the same degree, otherwise, it is irregular. Irregularity indices are usually used for quantitative characterization of the topological structure of non-regular graphs.
Wei Gao +4 more
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Eccentricity Based Topological Indices of an Oxide Network
Mathematics, 2018 Graph theory has much great advances in the field of mathematical chemistry. Chemical graph theory has become very popular among researchers because of its wide applications in mathematical chemistry.
Muhammad Imran +5 more
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Computing Edge Metric Dimension of One-Pentagonal Carbon Nanocone
Frontiers in Physics, 2021 Minimum resolving sets (edge or vertex) have become an integral part of molecular topology and combinatorial chemistry. Resolving sets for a specific network provide crucial information required for the identification of each item contained in the ...
Sunny Kumar Sharma +2 more
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Comparing energy and Randic energy
Macedonian Journal of Chemistry and Chemical Engineering, 2013 The recently conceived Randić energy (RE) is examined, and its relation to the (earlier much studied) total π-electron energy (E) is investigated. Within classes of molecular graphs, there exists a relatively good (increasing) linear correlation between ...
Boris Furtula, Ivan Gutman
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Computing entire Zagreb indices of some dendrimer structures
Main Group Metal Chemistry, 2020 Topological indices are numerical numbers associated to molecular graphs and are invariant of a graph. In QSAR/QSPR study, Zagreb indices are used to explain the different properties of chemical compounds at the molecular level mathematically.
Gao Wei +5 more
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On Computation of Edge Degree-Based Banhatti Indices of a Certain Molecular Network
Journal of Mathematics, 2021 Chemical graph theory deals with the basic properties of a molecular graph. In graph theory, we correlate molecular descriptors to the properties of molecular structures.
Jiang-Hua Tang +6 more
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Computing the Ediz eccentric connectivity index of discrete dynamic structures
Open Physics, 2017 From the earlier studies in physical and chemical sciences, it is found that the physico-chemical characteristics of chemical compounds are internally connected with their molecular structures. As a theoretical basis, it provides a new way of thinking by
Wu Hualong +4 more
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The measure of irregularities of nanosheets
Open Physics, 2020 Nanosheets are two-dimensional polymeric materials, which are among the most active areas of investigation of chemistry and physics. Many diverse physicochemical properties of compounds are closely related to their underlying molecular topological ...
Iqbal Zahid +4 more
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Multicenter Wiener indices and their applications [PDF]
Journal of the Serbian Chemical Society, 2015 The Wiener index W can be viewed as a molecular structure descriptor composed of increments representing interactions between pairs of atoms. A generalization of the W are the Steiner-Wiener indices kW, k=3,4,....
Gutman Ivan, Furtula Boris, Li Xueliang
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Molecular graph contrastive learning with line graph
Pattern RecognitionTrapped by the label scarcity in molecular property prediction and drug design, graph contrastive learning (GCL) came forward. Leading contrastive learning works show two kinds of view generators, that is, random or learnable data corruption and domain knowledge incorporation.
Xueyuan Chen +6 more
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