Volume 5 (2023)
Volume 4 (2022)
Volume 3 (2021)
Volume 2 (2020)
Volume 1 (2019)
Main Subjects = Methematical Chemistry
Number of Articles: 40
QSPR Analysis on the Graph Energies of Chemical graphs
Articles in Press, Accepted Manuscript, Available Online from 18 November 2022
Abstract
Chemical graph theory is a bridge between Chemistry and Graph theory. Graph energies are important tools for QSPR researches. Here in this paper we are considering to relate several ... Read More
Molecular descriptors of some graph operations through m-polynomial
Volume 5, Issue 2 , February 2023, , Pages 112-125
Abstract
The most general algebraic polynomial to obtain a massive number of degree-based topological indices for a specific family of structures is the M-polynomial. In this paper, the M-polynomial ... Read More![On topological indices of double and strong double graph of silicon carbide Si2C3-I[p,q]](data/ecc/coversheet/851663332653.png)
On topological indices of double and strong double graph of silicon carbide Si2C3-I[p,q]
Volume 5, Issue 1 , January 2023, , Pages 37-49
Abstract
Silicon is a semiconductor material with several advantages over the other similar materials, such as its low cost, nontoxicity, and almost limitless availability, as well as many years ... Read More
Study of middle graph for certain classes of graph by applying degree-based topological indices
Volume 5, Issue 1 , January 2023, , Pages 50-62
Abstract
Topological indices are extremely useful for analyzing various physical and chemical properties associated with a chemical compound. A topological index describes molecular structures ... Read More
Domination version: Sombor index of graphs and its significance in predicting physicochemical properties of butane derivatives
Volume 5, Issue 1 , January 2023, , Pages 91-102
Abstract
In graph theory, topological indices and domination parameters are essential topics. A dominating set for a graph G=(V(G),E(G)) is a subset D of V(G) such that every vertex not in D ... Read More
Cordial labelling of molecular structures and labelled topological indices of molecular graphs; a qspr model
Volume 4, Issue 11 , November 2022, , Pages 1087-1107
Abstract
In the study of graph properties, topological indices and graph labelling are both enormous topics. In this paper, we connect the ideas of topological indices with graph labelling, ... Read More
Different types of augmented Zagreb indices of some chemical drugs: A QSPR model
Volume 4, Issue 6 , June 2022, , Pages 513-524
Abstract
In this paper, we used linear, quadratic, cubic, logarithmic, and exponential regression models to analyze the statistical properties of certain important molecular structures such ... Read More
Topological properties of sunscreens using mhr-polynomial of graph
Volume 4, Issue 5 , May 2022, , Pages 402-410
Abstract
In this work, Mhr- polynomial of oxybenzone, menthyl anthranilate, benzophenone-4, and dimethylamino hydroxybenzoyl hexa benzoate were established. The degree-based topological indices ... Read More
Degree-based molecular descriptors of certain chemical graphs and drugs of COVID 19
Volume 4, Issue 2 , February 2022, , Pages 113-123
Abstract
Spectral Graph Theory is the interface that connects the graphs and the matrices associated with them. Chemistry is the branch of science which has benefitted the most out of this interaction ... Read More
Some new degree based topological indices of h-naphtalenic graph via M-polynomial approach
Volume 3, Issue 11 , November 2021, , Pages 800-805
Abstract
In this object, we present some new formulas of the reduced reciprocal Randić index, the arithmetic geometric 1 index, the SK, SK1, SK2 indices, first Zagreb index, the general sum-connectivity ... Read More
Calculating the topological indices of Starphene graph via M-polynomial approach
Volume 3, Issue 10 , October 2021, , Pages 656-664
Abstract
Chemical graph theory is related to the structure of different chemical compounds. A chemical graph represents the molecule of the substance. Chemical graph theory provides the connection ... Read More
Topological analysis of zigzag-edge coronoid graph by using M-polynomial
Volume 3, Issue 9 , September 2021, , Pages 590-597
Abstract
The chemical graph theory is interrelated with the chemical structure of different compounds. This graph represents the molecule of the sub-stance. A chemical graph is rehabilitated ... Read More
Domination topological properties of carbidopa-levodopa used for treatment Parkinson’s disease by using φp-polynomial
Volume 3, Issue 9 , September 2021, , Pages 614-621
Abstract
In medical science, pharmacology, chemical, pharmaceutical properties of molecular structure are essential for drug preparation and design. These properties can be studied by using ... Read More
Computational analysis of new degree-based descriptors of Zig-Zag Benzenoid system
Volume 3, Issue 6 , June 2021, , Pages 418-424
Abstract
Chemical graph theory is one of the dominant branches in graph theory. In this paper, we compute the atom bond connectivity, geometric arithmetic, first K-Banhatti, second K-Banhatti, ... Read More![Degree-based entropy of molecular structure of HAC5C7[P,Q]](data/ecc/coversheet/871618724226.png)
Degree-based entropy of molecular structure of HAC5C7[P,Q]
Volume 3, Issue 5 , May 2021, , Pages 291-295
Abstract
This study aimed at using the calculated values of topological indices, degree weighted entropy of graph, the entropy measures are calculated viz., symmetric division index, inverse ... Read More
Topological indices of the system of generalized prisms via M-Polynomial approach
Volume 3, Issue 5 , May 2021, , Pages 296-300
Abstract
The characteristics of various networks can be distinguished with the help of topological indices. The purpose of this paper is to study the generalized prism network, which is very ... Read More
On the ψk-polynomial of graph
Volume 3, Issue 4 , April 2021, , Pages 219-226
Abstract
In this paper, for every k-degree distance we define ψk-Polynomial of a connected graph G=(V,E) as where ψk(i,j) is the number of edges uv in G such that {dk(v), dk(u)}={i,j} ... Read More
On the ABC and GA indices of the corona products of some graphs
Volume 3, Issue 4 , April 2021, , Pages 257-263
Abstract
In this research, we derived the formulae for the atom-bond connectivity (ABC) index and the geometric-arithmetic (GA) index of several corona products of graphs made by composing the ... Read More
Degree based topological indices of tadpole graph via M-polynomial
Volume 3, Issue 3 , March 2021, , Pages 146-153
Abstract
Chemical graph theory has an important impact on the development of the chemical sciences. A chemical graph is a graph that is produced from some molecular structure by applying some ... Read More
Theoretical study of benzene ring embedded in P-type surface in 2d network using some new degree based topological indices via M-polynomial
Volume 3, Issue 3 , March 2021, , Pages 180-186
Abstract
Algebraic polynomials play an important role in theoretical chemistry because these can reflect the properties of the chemical compound. M-polynomial is also an algebraic polynomial ... Read More
Computing M-polynomial and topological indices of TUHRC4 molecular graph
Volume 3, Issue 2 , February 2021, , Pages 103-109
Abstract
Chemical graph theory has an important role in the development of chemical sciences. A graph is produced from certain molecular structure by means of applying several graphical operations. ... Read More
A note on QSPR analysis of total Zagreb and total Randić İndices of octanes
Volume 3, Issue 2 , February 2021, , Pages 139-145
Abstract
Topological indices are important tools for QSPR researches. Wiener, Zagreb, and Randić indices are pioneers of topological indices as the most used topological indices in view of ... Read More
Reciprocal Atom-bond connectivity and Fourth Atom-bond connectivity indices for Polyphenylene structure of molecules
Volume 2, Issue 12 , December 2020, , Pages 1202-1209
Abstract
Polyphenylene is a class of polycyclic aromatic compounds that has varied applications in biochemistry and biology. A numerical measure that defines the characteristics of a chemical ... Read More
Degree-based topological descriptors of Star of David and Hexagonal Cage networks
Volume 2, Issue 11 , November 2020, , Pages 1093-1100
Abstract
Topological indices are numerical parameters of a graph that characterize its molecular topology. In theoretical chemistry, the numerical parameters which are used to depict the molecular ... Read More
New degree-based topological descriptors via m-polynomial of boron α-nanotube
Volume 2, Issue 11 , November 2020, , Pages 1117-1125