On the Sanskruti index of graphs

Mondal, Sourav; Das, Kinkar Ch.

doi:10.1007/s12190-022-01789-w

Cited by 14 publications

(7 citation statements)

References 31 publications

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“…They suggested that an index would be meaningful if it could accurately describe at least one property. For some recent works on this concept, readers are referred to [28][29][30][31][32][33][34][35][36][37][38][39][40][41][42][43]. Initially, octane isomers are used as a reference dataset for such investigation.…”

Section: Chemical Relevancementioning

confidence: 99%

The minimal chemical tree for the difference between geometric–arithmetic and Randić indices

Mondal,

Das,

Huh

2024

Int J of Quantum Chemistry

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Topological indices are numerical parameters derived from the structural information of chemical compounds. By providing a quantitative description of molecular structures, topological indices enable researchers to predict various properties and behaviors of molecules. The Randić index () and the geometric–arithmetic index () are widely recognized topological indices. It is observed that, for any given graph . We aim to investigate the gap between and for chemical tree. The complete characterization of minimal chemical tree for is carried out here. This article offers an interesting finding that, whereas and provide same minimal chemical trees, yields minimal tree structures that are totally different from and . Moreover is observed to correlate well with physico‐chemical properties of octanes.

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Section: Chemical Relevancementioning

confidence: 99%

The minimal chemical tree for the difference between geometric–arithmetic and Randić indices

Mondal,

Das,

Huh

2024

Int J of Quantum Chemistry

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“…Vignesh et al [44] performed a QSPR study of some COVID-19 drugs using a set of new distance-based topological descriptors in 2022. Mondal et al [45] analysed anticancer drugs and found some interesting upper bounds for Zagreb connection indices in structure-property modeling in 2023. Natarajan et al [46] investigated leap Zagreb indices of bridges and chain graphs and discussed some special cases related to molecular graphs.…”

Section: Introductionmentioning

confidence: 99%

QSPR analysis of anti‐asthmatic drugs using some new distance‐based topological indices: A comparative study

Balasubramaniyan,

Chidambaram,

Ravi

et al. 2024

Int J of Quantum Chemistry

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Asthma is a widespread disease that has affected more than 300 million people worldwide. There is no efficient or preventive treatment for this disease yet. Drug scientists are striving hard to discover a variety of medicines that can treat asthma effectively. Quantitative structure‐property relationship (QSPR) analysis of drugs used in the treatment of a specific disease through topological descriptors is one of the best techniques adopted by drug scientists to cut down unnecessary laboratory expenses. In this article, we have done a QSPR analysis to identify the best predictor for the six properties namely, boiling point, enthalpy, flash point, log P, molar volume, and molar refractivity of 19 different anti‐asthmatic drugs using a set of 16 distance‐based topological indices. Also, we compare our results with QSPR analysis done by using certain degree‐based indices for the chosen drugs and obtain new directions.

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“…Topological indices plays an important role in establishing structure property relationship of molecule. For some recent works on this analysis, readers are referred to [18][19][20][21]. The ultimate goal of the present work is to investigate the role of second-degree-based graph entropy I d,2 in structure-property modeling of molecules.…”

Section: Introductionmentioning

confidence: 99%

Degree-Based Graph Entropy in Structure–Property Modeling

Mondal

Das

2023

Entropy

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Graph entropy plays an essential role in interpreting the structural information and complexity measure of a network. Let G be a graph of order n. Suppose dG(vi) is degree of the vertex vi for each i=1,2,…,n. Now, the k-th degree-based graph entropy for G is defined as Id,k(G)=−∑i=1ndG(vi)k∑j=1ndG(vj)klogdG(vi)k∑j=1ndG(vj)k, where k is real number. The first-degree-based entropy is generated for k=1, which has been well nurtured in last few years. As ∑j=1ndG(vj)k yields the well-known graph invariant first Zagreb index, the Id,k for k=2 is worthy of investigation. We call this graph entropy as the second-degree-based entropy. The present work aims to investigate the role of Id,2 in structure property modeling of molecules.

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On the Sanskruti index of graphs

Cited by 14 publications

References 31 publications

The minimal chemical tree for the difference between geometric–arithmetic and Randić indices

The minimal chemical tree for the difference between geometric–arithmetic and Randić indices

QSPR analysis of anti‐asthmatic drugs using some new distance‐based topological indices: A comparative study

Degree-Based Graph Entropy in Structure–Property Modeling

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