A generalized ISI index of some chemical structures

Buragohain, Jibonjyoti; Deka, Bhargab; Bharali, A.

doi:10.1016/j.molstruc.2020.127843

Cited by 14 publications

(10 citation statements)

References 21 publications

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“…Bond-additive indices of a graph G are defined as [67] uv∈E(G) β(u, v), where β is a real-valued function satisfying the property β(u, v) = β(v, u); note that β may take negative values as well. Several examples of bond-additive indices can be found in [10,15,50,53,57,58,66]; most of these can be considered as variants of the first and second Zagreb index (see the review [24]).…”

Section: On Bond-additive Indicesmentioning

confidence: 99%

“…Remark 7.1. In the above formula, equality hold if d u + e u = n for any vertex u of G. There are infinitely many connected graphs for which equality holds in (15). Graphs of such type are the path P 4 , cycle C 4 , complete graph K 4 , the 6-vertex 4-regular octahedron graph, and the infinite sequence of bidegreed graphs J n ∼ = K n − e for n ≥ 4.…”

Section: Relations Between Weighted Topological Indicesmentioning

confidence: 99%

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On Bond-Additive and Atoms-Pair-Additive Indices of Graphs

2021

Electronic Journal of Mathematics

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For a graph G, its bond-additive indices are defined as uv∈E(G) β (u, v), where E(G) is the edge set of G and β is a realvalued function satisfying the property β(u, v) = β(v, u). By atoms-pair-additive indices of a graph G, we mean graph invariants of the form u,v∈V (G) α(u, v)/2 , where V (G) is the vertex set of G and α is a real-valued function satisfying α(u, v) = α(v, u). This paper considers some mathematical aspects of several particular bond-additive indices and atomspair-additive indices.

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Section: On Bond-additive Indicesmentioning

confidence: 99%

Section: Relations Between Weighted Topological Indicesmentioning

confidence: 99%

On Bond-Additive and Atoms-Pair-Additive Indices of Graphs

2021

Electronic Journal of Mathematics

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“…For such as molecular structure, from mathematical perspective. Recently many articles has investigates degree based topological indices and its polynomial of HA and HA-based conjugates see [2,3,4,5,6,8,9,15,17,18,20,25]. Graph polynomials have many applications and is an important source of structural descriptors see [32].…”

Section: Introductionmentioning

confidence: 99%

Calculating PI Related Indices and Its Polynomial of Hyaluronic Acid and Conjugates

P.KANDAN¹,

SUBRAMANIAN²,

RAJESH³

2022

JIMS

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A large number of medical experiments have confirmed that the features of drugs have a close correlation with their molecular structure. Drug properties can be obtained by studying the molecular structure of corresponding drugs. The calculation of the topological index of a chemical graph enables scientists to have a better understanding of the physical chemistry and biological characteristics of drugs. In this paper, we focus on Hyaluronic Acid-Curcumin/Paclitaxel conjugate which are widely used in the manufacture of anticancer drugs. Therefore in this paper we have computed the Padmakar-Ivan related indices and its polynomial of the Hyaluronic Acid-curcumin/paclitaxel conjugate by using edge partitioning technique.

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“…Recently, Buragohain et al [59] proposed the general inverse sum indeg index, denoted by ISI (α,β) (G) and defined as…”

Section: Introductionmentioning

confidence: 99%

On Ve-Degree and Ev-Degree Topological Properties of Hyaluronic Acid‐Anticancer Drug Conjugates with QSPR

Kirmani

Ali

Azam

et al. 2021

Journal of Chemistry

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The design of the quantitative structure-property/activity relationships for drug-related compounds using theoretical methods relies on appropriate molecular structure representations. The molecular structure of a compound comprises all the information required to determine its chemical, biological, and physical properties. These properties can be assessed by employing a graph theoretical descriptor tool widely known as topological indices. Generalization of descriptors may reduce not only the number of molecular graph-based descriptors but also improve existing results and provide a better correlation to several molecular properties. Recently introduced ve-degree and ev-degree topological indices have been successfully employed for development of models for the prediction of various biological activities/properties. In this article, we propose the general ve-inverse sum indeg index ISI α , β ve G and general ve-Zagreb index M α ve G of graph G and compute ISI α , β ve G , M α ve G , and M α ev G (general ev-degree index) of hyaluronic acid-curcumin/paclitaxel conjugates, renowned for its potential anti-inflammatory, antioxidant, and anticancer properties, by using molecular structure analysis and edge partitioning technique. Several ve-degree- and ev-degree-based topological indices are obtained as a special case of ISI α , β ve G , M α ve G , and M α ev G . Furthermore, QSPR analysis of ISI α , β ve G , M α ve G , and M α ev G for particular values of α and β is performed, which reveals their predicting power. These results allow researchers to better understand the physicochemical properties and pharmacological characteristics of these conjugates.

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A generalized ISI index of some chemical structures

Cited by 14 publications

References 21 publications

On Bond-Additive and Atoms-Pair-Additive Indices of Graphs

On Bond-Additive and Atoms-Pair-Additive Indices of Graphs

Calculating PI Related Indices and Its Polynomial of Hyaluronic Acid and Conjugates

On Ve-Degree and Ev-Degree Topological Properties of Hyaluronic Acid‐Anticancer Drug Conjugates with QSPR

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