Entire Harary index of graphs

Alqesmah, Akram; Alloush, Khaled A. A.; Alwardi, Anwar; Deepak, G.

doi:10.1080/09720529.2021.1888435

Cited by 2 publications

(2 citation statements)

References 15 publications

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“…The index in Equation 7 is also known as the Harary index (20). In endeavoring to relate graphic structures with the chemical structure, Parikh word representable graphs (PWRGs) were developed (21).…”

Section: Molecular Descriptor Using Distance Indexesmentioning

confidence: 99%

Supervised Machine Learning-Graph Theory Approach For Analyzing the Electronic Properties of Alkanes

MOHAMED ZABİDİ,

ZAKARİA,

NAZİB ALİAS

2024

Journal of the Turkish Chemical Society Section A: Chemistry

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The combination of advanced scientific computing and quantum chemistry improves the existing approach in all chemistry and material science fields. Machine learning has revolutionized numerous disciplines within chemistry and material science. In this study, we present a supervised learning model for predicting the HOMO and LUMO energies of alkanes, which is trained on a database of molecular topological indices. We introduce a new moment topology approach has been introduced as molecular descriptors. Supervised learning utilizes artificial neural networks and support vector machines, taking advantage of the correlation between the molecular descriptors. The result demonstrate that this supervised learning model outperforms other models in predicting the HOMO and LUMO energies of alkanes. Additionally, we emphasize the importance of selecting appropriate descriptors and learning systems, as they play crucial role in accurately modeling molecules with topological orbitals.

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Section: Molecular Descriptor Using Distance Indexesmentioning

confidence: 99%

Supervised Machine Learning-Graph Theory Approach For Analyzing the Electronic Properties of Alkanes

MOHAMED ZABİDİ,

ZAKARİA,

NAZİB ALİAS

2024

Journal of the Turkish Chemical Society Section A: Chemistry

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“…See [29][30][31][32][33] for more insight on Harary index. Inspired by electrical networks, Klein and Randić introduced a novel idea.…”

Section: Introductionmentioning

confidence: 99%

Resistance distance and sharp bounds of two-mode electrical networks

Ullah,

Salman,

Zaman

2024

Phys. Scr.

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Electrical networks are ubiquitous in our daily lives, ranging from small integrated circuits to large-scale power systems. These networks can be easily represented as graphs, where edges represent connections and vertices represent electric nodes. The concept of resistance distance originates from electrical networks, with this term used because of its physical interpretation, where every edge in a graph G is assumed to have a unit resistor. The applications of resistance distance extend to various fields such as electrical engineering, physics, and computer science. It is particularly useful in investigating the flow of electrical current in a network and determining the shortest path between two vertices. In this work, we have investigated seven different resistance distance-based indices of bipartite networks and derived general formulae for them; the sharp bounds with respect to these resistance distance indices are also identified. Additionally, we introduced a novel resistance distance topological index, the Multiplicative Eccentric Resistance Harary Index, and derived general formula for it. The sharp bounds with respect to this newly introduced index are also identified for bipartite networks.

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Entire Harary index of graphs

Cited by 2 publications

References 15 publications

Supervised Machine Learning-Graph Theory Approach For Analyzing the Electronic Properties of Alkanes

Supervised Machine Learning-Graph Theory Approach For Analyzing the Electronic Properties of Alkanes

Resistance distance and sharp bounds of two-mode electrical networks

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