scholarly journals Onsome New Neighbourhood Degree Based Indices

2019 ◽  
Vol 27 (1) ◽  
pp. 31-46 ◽  
Author(s):  
Sourav Mondal ◽  
Nilanjan De ◽  
Anita Pal
Keyword(s):  
Regression Analysis ◽  
Physicochemical Properties ◽  
Topological Index ◽  
Topological Indices ◽  
Structure Property ◽  
Zagreb Index ◽  
Second Zagreb Index ◽  
Mathematical Properties ◽  
Octane Isomers

Abstract In this paper, four novel topological indices named as neighbourhood version of forgotten topological index (FN), modified neighbourhood version of Forgotten topological index (FN*), neighbourhood version of second Zagreb index (M2*) and neighbourhood version of hyper Zagreb index (HMN) are introduced. Here the relatively study depends on the structure-property regression analysis is made to test and compute the chemical applicability of these indices for the prediction of physicochemical properties of octane isomers. Also it is shown that these newly presented indices have well degeneracy property in comparison with other degree based topological indices. Some mathematical properties of these indices are also discussed here.

scholarly journals HDR Degree Bassed Indices and Mhr-Polynomial for the Treatment of COVID-19

2021 ◽  
Vol 12 (6) ◽  
pp. 7214-7225
Keyword(s):  
Regression Analysis ◽  
Physicochemical Properties ◽  
Topological Index ◽  
Research Work ◽  
Topological Indices ◽  
Structure Property ◽  
Zagreb Index ◽  
Mathematical Properties ◽  
Octane Isomers

In this research work, We introduce topological indices, namely as an HDR version of Modified Zagreb topological index (HDRM*), HDR version of Modified forgotten topological index (HDRF*), and HDR version of hyper Zagreb index (HDRHM*). Then the relatively study depends on the structure-property regression analysis to test and compute the chemical applicability of these indices to predict the physicochemical properties of octane isomers. Also, we show these HDR indices have well degeneracy properties compared to other degree-based topological indices. Also, We defined and computed the Mhr-polynomial of the newly indices and applied it on COVID-19 treatments. Also, we discussed some mathematical properties of HDR indices.

scholarly journals Predicting Some Physicochemical Properties of Octane Isomers: A Topological Approach Using ev-Degree and ve-Degree Zagreb Indices

2017 ◽  
Author(s):  
Süleyman Ediz
Keyword(s):  
Physicochemical Properties ◽  
Topological Indices ◽  
Theoretical Chemistry ◽  
Graph Invariants ◽  
Zagreb Index ◽  
Topological Approach ◽  
Zagreb Indices ◽  
Mathematical Properties ◽  
Octane Isomers ◽  
Mathematical Literature

Topological indices have important role in theoretical chemistry for QSPR researches. Among the all topological indices the Randić and the Zagreb indices have been used more considerably than any other topological indices in chemical and mathematical literature. Most of the topological indices as in the Randić and the Zagreb indices are based on the degrees of the vertices of a connected graph. Recently novel two degree concepts have been defined in graph theory; ev-degrees and ve-degrees. In this study we define ev-degree Zagreb index, ve-degree Zagreb indices and ve-degree Randić index by using these new graph invariants as parallel to their corresponding classical degree versions. We compare these new group ev-degree and ve-degree indices with the other well-known and most used topological indices in literature such as; Wiener, Zagreb and Randić indices by modelling some physicochemical properties of octane isomers. We show that the ev-degree Zagreb index, the ve-degree Zagreb and the ve-degree Randić indices give better correlation than Wiener, Zagreb and Randić indices to predict the some specific physicochemical properties of octanes. We investigate the relations between the second Zagreb index and ev-degree and ve-degree Zagreb indices and some mathematical properties of ev-degree and ve-degree Zagreb indices.

scholarly journals Topological properties of Graphene using some novel neighborhood degree-based topological indices

2019 ◽  
Vol 11 (01) ◽  
pp. 1950006 ◽  
Author(s):  
Sourav Mondal ◽  
Nilanjan De ◽  
Anita Pal
Keyword(s):  
Real Number ◽  
Chemical Structure ◽  
Topological Index ◽  
Line Graph ◽  
Topological Indices ◽  
Index Formula ◽  
Topological Properties ◽  
Zagreb Index ◽  
Physiochemical Properties ◽  
Second Zagreb Index

Topological indices are numeric quantities that transform chemical structure to real number. Topological indices are used in QSAR/QSPR studies to correlate the bioactivity and physiochemical properties of molecule. In this paper, some newly designed neighborhood degree-based topological indices named as neighborhood Zagreb index ([Formula: see text]), neighborhood version of Forgotten topological index ([Formula: see text]), modified neighborhood version of Forgotten topological index ([Formula: see text]), neighborhood version of second Zagreb index ([Formula: see text]) and neighborhood version of hyper Zagreb index ([Formula: see text]) are obtained for Graphene and line graph of Graphene using subdivision idea. In addition, these indices are compared graphically with respect to their response for Graphene and line graph of subdivision of Graphene.

scholarly journals On Some New Neighborhood Degree-Based Indices for Some Oxide and Silicate Networks

J ◽  
2019 ◽  
Vol 2 (3) ◽  
pp. 384-409
Author(s):  
Sourav Mondal ◽  
Nilanjan De ◽  
Anita Pal
Keyword(s):  
Molecular Structure ◽  
Network Theory ◽  
Topological Index ◽  
Applied Mathematics ◽  
Reaction Network ◽  
Topological Indices ◽  
Zagreb Index ◽  
Second Zagreb Index ◽  
Real World Problems ◽  
Chemical Reaction Network Theory

Topological indices are numeric quantities that describes the topology of molecular structure in mathematical chemistry. An important area of applied mathematics is the chemical reaction network theory. Real-world problems can be modeled using this theory. Due to its worldwide applications, chemical networks have attracted researchers since their foundation. In this report, some silicate and oxide networks are studied, and exact expressions of some newly-developed neighborhood degree-based topological indices named as the neighborhood Zagreb index ( M N ), the neighborhood version of the forgotten topological index ( F N ), the modified neighborhood version of the forgotten topological index ( F N ∗ ), the neighborhood version of the second Zagreb index ( M 2 ∗ ), and neighborhood version of the hyper Zagreb index ( H M N ) are obtained for the aforementioned networks. In addition, a comparison among all the indices is shown graphically.

scholarly journals Zagreb Connection Indices of Two Dendrimer Nanostars

2019 ◽  
Vol 27 (1) ◽  
pp. 1-14 ◽  
Author(s):  
Nisar Fatima ◽  
Akhlaq Ahmad Bhatti ◽  
Akbar Ali ◽  
Wei Gao
Keyword(s):  
Molecular Structure ◽  
Physicochemical Properties ◽  
Chemical Compounds ◽  
Topological Indices ◽  
First Zagreb Index ◽  
Zagreb Index ◽  
Zagreb Indices ◽  
Mathematical Chemistry ◽  
Octane Isomers ◽  
The First Zagreb Index

Abstract It is well known fact that several physicochemical properties of chemical compounds are closely related to their molecular structure. Mathematical chemistry provides a method to predict the aforementioned properties of compounds using topological indices. The Zagreb indices are among the most studied topological indices. Recently, three modified versions of the Zagreb indices were proposed independently in [Ali, A.; Trinajstić, N. A novel/old modification of the first Zagreb index, arXiv:1705.10430 [math.CO] 2017; Mol. Inform. 2018, 37, 1800008] and [Naji, A. M.; Soner, N. D.; Gutman, I. On leap Zagreb indices of graphs, Commun. Comb. Optim. 2017, 2, 99–117], which were named as the Zagreb connection indices and the leap Zagreb indices, respectively. In this paper, we check the chemical applicability of the newly considered Zagreb connection indices on the set of octane isomers and establish general expressions for calculating these indices of two well-known dendrimer nanostars.

scholarly journals Computing Topological Indices and Polynomials for Line Graphs

Mathematics ◽  
2018 ◽  
Vol 6 (8) ◽  
pp. 137 ◽  
Author(s):  
Shahid Imran ◽  
Muhammad Siddiqui ◽  
Muhammad Imran ◽  
Muhammad Nadeem
Keyword(s):  
Topological Index ◽  
Line Graph ◽  
Topological Indices ◽  
Line Graphs ◽  
Zagreb Index ◽  
Zagreb Indices ◽  
Second Zagreb Index ◽  
Vertex Degrees ◽  
Set Up ◽  
Ladder Graphs

A topological index is a number related to the atomic index that allows quantitative structure–action/property/toxicity connections. All the more vital topological indices correspond to certain physico-concoction properties like breaking point, solidness, strain vitality, and so forth, of synthetic mixes. The idea of the hyper Zagreb index, multiple Zagreb indices and Zagreb polynomials was set up in the substance diagram hypothesis in light of vertex degrees. These indices are valuable in the investigation of calming exercises of certain compound systems. In this paper, we computed the first and second Zagreb index, the hyper Zagreb index, multiple Zagreb indices and Zagreb polynomials of the line graph of wheel and ladder graphs by utilizing the idea of subdivision.

scholarly journals Topological Indices of Vitamin D3

2018 ◽  
Vol 7 (4) ◽  
pp. 6276
Author(s):  
Rajesh Kanna ◽  
Roopa S ◽  
PARASHIVAMURTHY H L
Keyword(s):  
Vitamin D3 ◽  
Topological Index ◽  
Topological Indices ◽  
Connectivity Index ◽  
First Zagreb Index ◽  
Zagreb Index ◽  
Second Zagreb Index ◽  
Augmented Zagreb Index ◽  
Abc Index ◽  
Ga Index

Graph theory has provided chemists with a variety of useful tools, such as topological indices. A topological index Top(G) of a graph G is a number with the property that for every graph H isomorphic to G, Top(H) = Top(G). In this paper, we compute ABC index, ABC4 index, Randi´c connectivity index, Sum connectivity index, GA index , GA5 index, First Zagreb index, Second Zagreb index, First Multiple Zagreb index, Second Multiple Zagreb index, Augmented Zagreb index, Harmonic index and Hyper Zagreb index, First Zagreb polynomial, Second Zagreb polynomial, Third Zagreb polynomial, Forgotten polynomials, Forgotten topological index and Symmetric division index of vitamin D3.

scholarly journals A Computational Approach on Acetaminophen Drug using Degree-Based Topological Indices and M-Polynomials

2021 ◽  
Vol 12 (6) ◽  
pp. 7249-7266
Keyword(s):  
Biological Activity ◽  
Physicochemical Properties ◽  
Chemical Structure ◽  
Topological Index ◽  
Chemical Reactivity ◽  
Chemical Compounds ◽  
Computational Approach ◽  
Topological Indices ◽  
Numerical Representation ◽  
Essential Drug

Topological index is a numerical representation of a chemical structure. Based on these indices, physicochemical properties, thermodynamic behavior, chemical reactivity, and biological activity of chemical compounds are calculated. Acetaminophen is an essential drug to prevent/treat various types of viral fever, including malaria, flu, dengue, SARS, and even COVID-19. This paper computes the sum and multiplicative version of various topological indices such as General Zagreb, General Randić, General OGA, AG, ISI, SDD, Forgotten indices M-polynomials of Acetaminophen. To the best of our knowledge, for the Acetaminophen drugs, these indices have not been computed previously.

The Hyper-Zagreb Index and Some Properties of Graphs

2020 ◽  
pp. 120-134 ◽  
Author(s):  
Rao Li
Keyword(s):  
Topological Index ◽  
Sufficient Conditions ◽  
Disjoint Paths ◽  
Zagreb Index ◽  
Connected Graphs ◽  
Second Zagreb Index ◽  
Vertex Disjoint ◽  
Hamiltonian Properties

Let G = (V(G), E(G)) be a graph. The complement of G is denoted by Gc. The forgotten topological index of G, denoted F(G), is defined as the sum of the cubes of the degrees of all the vertices in G. The second Zagreb index of G, denoted M2(G), is defined as the sum of the products of the degrees of pairs of adjacent vertices in G. A graph Gisk-Hamiltonian if for all X ⊂V(G) with|X| ≤ k, the subgraph induced byV(G) - Xis Hamiltonian. Clearly, G is 0-Hamiltonian if and only if G is Hamiltonian. A graph Gisk-path-coverableifV(G) can be covered bykor fewer vertex-disjoint paths. Using F(Gc) and M2(Gc), Li obtained several sufficient conditions for Hamiltonian and traceable graphs (Rao Li, Topological Indexes and Some Hamiltonian Properties of Graphs). In this chapter, the author presents sufficient conditions based upon F(Gc) and M2(Gc)for k-Hamiltonian, k-edge-Hamiltonian, k-path-coverable, k-connected, and k-edge-connected graphs.

scholarly journals Topological indices of non-commuting graph of dihedral groups

2018 ◽  
Vol 14 ◽  
pp. 473-476 ◽  
Author(s):  
Nur Idayu Alimon ◽  
Nor Haniza Sarmin ◽  
Ahmad Erfanian
Keyword(s):  
Wiener Index ◽  
Topological Indices ◽  
First Zagreb Index ◽  
Dihedral Groups ◽  
Zagreb Index ◽  
Second Zagreb Index ◽  
Commuting Graph ◽  
Vertex Set ◽  
Group A ◽  
Group Of Symmetries

Assume  is a non-abelian group  A dihedral group is the group of symmetries of a regular polygon, which includes rotations and reflections. The non-commuting graph of  denoted by  is the graph of vertex set  whose vertices are non-central elements, in which  is the center of  and two distinct vertices  and  are joined by an edge if and only if  In this paper, some topological indices of the non-commuting graph,  of the dihedral groups,  are presented. In order to determine the Edge-Wiener index, First Zagreb index and Second Zagreb index of the non-commuting graph,  of the dihedral groups,  previous results of some of the topological indices of non-commuting graph of finite group are used. Then, the non-commuting graphs of dihedral groups of different orders are found. Finally, the generalisation of Edge-Wiener index, First Zagreb index and Second Zagreb index of the non-commuting graphs of dihedral groups are determined.

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