M-polynomial and neighborhood M-polynomial of some concise drug structures: Azacitidine, Decitabine and Guadecitabine

Chamua, Monjit; Moran, Rubul; Pegu, Aditya; Bharali, A.

doi:10.1016/j.molstruc.2022.133197

Cited by 18 publications

(14 citation statements)

References 30 publications

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“…To know more about neighborhood degree based topological indices and its applications reader can refer [27][28][29][30][31][32][33][34][35][36][37][38][39][40][41].…”

Section: Preliminariesmentioning

confidence: 99%

Computing Neighborhood Degree based TI's of Supercoronene and Triangle-shaped Discotic Graphene through NM-polynomial

Govardhan

Santiago

Prabhu³

et al. 2022

Preprint

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For a long time, the structure and characteristics of benzene and other arenes have piqued researchers curiosity in quantum chemistry. The structural features of polycyclic aromatic compounds, like the fundamental molecular topology, have a strong influence on their chemical and biological properties. Quantitative structure-activity and property relationship (QSAR/QSPR) techniques for predicting characteristics of polycyclic aromatic compounds (PAC) and related graphs from chemical structures have been developed in this approach. To obtain degree-based topological indices, we have many polynomials. The neighbourhood M-polynomial is one of these polynomials, which is used to produce a number of topological indices based on neighborhood degree sum. In this study, we offer the exact analytical expressions of neighborhood M-polynomial and their corresponding topological indices for supercoronene (SC), cove-hexabenzocoronene (cHBC), and triangular-shaped discotic graphene (TDG) with hexabenzocorenene (HBC) as the base molecule. The findings could help with the development of physicochemical characteristic prediction.

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“…To know more about neighborhood degree based topological indices and its applications reader can refer [27][28][29][30][31][32][33][34][35][36][37][38][39][40][41].…”

Section: Preliminariesmentioning

confidence: 99%

Computing Neighborhood Degree based TI's of Supercoronene and Triangle-shaped Discotic Graphene through NM-polynomial

Govardhan

Santiago

Prabhu³

et al. 2022

Preprint

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“…Te degree d G (v) of a vertex v is the number of vertices adjacent to v [21,22]. Te neighborhood degree sum-based graphical indices depend upon the neighborhood degree, which is defned by d G (e) � d G (u) + d G (v) − 2 for an edge e � uv, where u and v are vertices of the edge e. Neighborhood degree sum δ u [23,24] of a vertex u is defned as the sum of degrees of all vertices that are adjacent to the vertex. Te degree of a vertex is the total number of edges incident to the vertex.…”

Section: Primariesmentioning

confidence: 99%

Study of Graphene Networks and Line Graph of Graphene Networks via NM‐Polynomial and Topological Indices

Nazeer

Ahmed

et al. 2022

Journal of Mathematics

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The topological invariants are related to the molecular graph of the chemical structure and are numerical numbers that help us to understand the topology of the concerned chemical structure. With the help of these numbers, many properties of graphene can be guessed without preforming any experiment. Huge amount of calculations are required to obtain topological invariants for graphene, but by applying basic calculus roles, neighborhood M -polynomial of graphene gives its indices. The aim of this work is to compute neighborhood degree-dependent indices for the graph of graphene and the line graph of subdivision graph of graphene. Firstly, we establish neighborhood M-polynomial of these families of graphs, and then, by applying basic calculus, we obtain several neighborhood degree-dependent indices. Our results play an important role to understand graphene and enhance its abilities.

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“…Namely, computations can be translated to elementary calculus, see [5,6]. The list of papers [1][2][3][14][15][16][17] is only a small part of the research in which the M-polynomial is a key tool used. A general approach to degree-based topological indices has been done in [10], while in [8] investigations of their structure-sensitivity in chemistry was performed.…”

Section: Introductionmentioning

confidence: 99%

How to Compute the M-Polynomial of (Chemical) Graphs

Deutsch¹,

Klavžar²,

Romih³

2022

MATCH

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Let G be a graph and let mi,j(G), i, j ≥ 1, be the number of edges uv of G such that {dv(G), du(G)} = {i, j}. The M-polynomial of G is M (G; x, y) = i≤j mi,j(G)x i y j . A general method for calculating the M-polynomials for arbitrary graph families is presented. The method is further developed for the case where the vertices of a graph have degrees 2 and p, where p ≥ 3, and further for such planar graphs. The method is illustrated on families of chemical graphs.

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M-polynomial and neighborhood M-polynomial of some concise drug structures: Azacitidine, Decitabine and Guadecitabine

Cited by 18 publications

References 30 publications

Computing Neighborhood Degree based TI's of Supercoronene and Triangle-shaped Discotic Graphene through NM-polynomial

Computing Neighborhood Degree based TI's of Supercoronene and Triangle-shaped Discotic Graphene through NM-polynomial

Study of Graphene Networks and Line Graph of Graphene Networks via NM‐Polynomial and Topological Indices

How to Compute the M-Polynomial of (Chemical) Graphs

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