scholarly journals The Reduced Neighborhood Topological Indices and Polynomial for the Treatment of COVID-19

2020 ◽  
Vol 11 (4) ◽  
pp. 11817-11832
Keyword(s):  
Graph Theory ◽  
Antiviral Agents ◽  
Molecular Graph ◽  
Topological Indices ◽  
Medical Sciences ◽  
Invariant Graph ◽  
Life Threatening

A graphical index is a numeric value corresponding to a structurally invariant graph, and in molecular graph theory, these invariants are known as topological indices. In the field of Chemical and Medical Sciences, the topological indices are used to study the chemical, biological, medical, and pharmaceutical features of drugs. Concerning the previous deadly diseases, the COVID-19 pandemic has been considered the biggest life-threatening issue that modern medicines have ever tackled. COVID-19 is immedicable, and even the existing treatments are only helping a certain group of sufferers. Scientists have tested available antiviral agents and got a favorable impact on recovering from the pandemic. Some of these antiviral agents are remdesivir, chloroquine, hydroxychloroquine, theaflavin, and dexamethasone. Keeping given the importance of topological indices in the study of pharmaceutical and chemical drugs, in this paper, we calculate the reduced neighborhood topological indices and RNM-polynomial of some of the antiviral agents remdesivir, chloroquine, hydroxychloroquine, theaflavin, and dexamethasone. The results thus obtained may be useful for finding new medicine and vaccine for the treatment of COVID-19.

scholarly journals On the Multiplicative Degree-Based Topological Indices of Silicon-Carbon Si2C3-I[p,q] and Si2C3-II[p,q]

Symmetry ◽  
2018 ◽  
Vol 10 (8) ◽  
pp. 320 ◽  
Author(s):  
Young Kwun ◽  
Abaid Virk ◽  
Waqas Nazeer ◽  
M. Rehman ◽  
Shin Kang
Keyword(s):  
Molecular Structure ◽  
Graph Theory ◽  
Molecular Graph ◽  
Chemical Properties ◽  
Topological Indices ◽  
Molecular Compound ◽  
Zagreb Indices ◽  
Silicon Carbon ◽  
Physico Chemical ◽  
Structure Research

The application of graph theory in chemical and molecular structure research has far exceeded people’s expectations, and it has recently grown exponentially. In the molecular graph, atoms are represented by vertices and bonds by edges. Topological indices help us to predict many physico-chemical properties of the concerned molecular compound. In this article, we compute Generalized first and multiplicative Zagreb indices, the multiplicative version of the atomic bond connectivity index, and the Generalized multiplicative Geometric Arithmetic index for silicon-carbon Si2C3−I[p,q] and Si2C3−II[p,q] second.

scholarly journals On the Multiplicative Degree-Based Topological Indices of Silicon-Carbon Si2C3-I[p,q] and Si2C3-II[p,q]

2018 ◽  
Author(s):  
Young Chel Kwun ◽  
Abaid ur Rehman Virk ◽  
Waqas Nazeer ◽  
Shin Min Kang
Keyword(s):  
Molecular Structure ◽  
Graph Theory ◽  
Molecular Graph ◽  
Chemical Properties ◽  
Topological Indices ◽  
Molecular Compound ◽  
Silicon Carbon ◽  
Physico Chemical ◽  
Structure Research

The application of graph theory in chemical and molecular structure research far exceeds people's expectations, and it has recently grown exponentially. In the molecular graph, atoms are represented by vertices and bonded by edges. Closed forms of multiplicative degree-based topological indices which are numerical parameters of the structure and determine physico-chemical properties of the concerned molecular compound. In this article, we compute and analyze many multiplicative degree-based topological indices of silicon-carbon Si2C3-I[p,q] and Si2C3-II[p,q].

Some topological indices of dendrimers

2020 ◽  
pp. 2050018
Author(s):  
S. Alyar ◽  
R. Khoeilar ◽  
A. Jahanbani
Keyword(s):  
Graph Theory ◽  
Molecular Graph ◽  
Topological Indices ◽  
Molecular Structures ◽  
Topological Properties ◽  
Zagreb Index ◽  
Zinc Porphyrin ◽  
Molecular Graphs

There are immense applications of graph theory in chemistry and in the study of molecular structures, and after that, it has been increasing exponentially. Molecular graphs have points (vertices) representing atoms and lines (edges) that represent bonds between atoms. In this paper, we study the molecular graph of porphyrin, propyl ether imine, zinc–porphyrin and poly dendrimers and analyzed its topological properties. For this purpose, we have computed topological indices, namely the Albertson index, the sigma index, the Nano-Zagreb index, the first and second hyper [Formula: see text]-indices of porphyrin, propyl ether imine, zinc–porphyrin and poly dendrimers.

scholarly journals Topological Indices of Carbon Graphite and Crystal Cubic Carbon Structures via M Polynomials

2018 ◽  
Author(s):  
Wei Gao ◽  
Waqas Nazeer ◽  
Amna Yousaf ◽  
Shin Min Kang
Keyword(s):  
Graph Theory ◽  
Chemical Structure ◽  
Molecular Graph ◽  
Topological Indices ◽  
Molecular Structures ◽  
Chemical Graph ◽  
Boiling Points ◽  
Chemical Graph Theory ◽  
Carbon Structures ◽  
Carbon Crystal

Graph theory plays a crucial role in modeling and designing of chemical structure or chemical network. Chemical Graph theory helps to understand the molecular structure of molecular graph. The molecular graph consists of atoms as vertices and bonds as edges. Topological indices capture symmetry of molecular structures and give it a mathematical language to predict properties such as boiling points, viscosity, the radius of gyrations etc. In this article, we study the chemical graph of carbon Crystal structure of graphite and cubic carbon and compute several degree-based topological indices. Firstly we compute M-Polynomials of these structures and then from these M-polynomials we recover nine degree-based topological indices.

scholarly journals Banhatti, revan and hyper-indices of silicon carbide Si2C3-III[n,m]

2021 ◽  
Vol 19 (1) ◽  
pp. 646-652
Author(s):  
Dongming Zhao ◽  
Manzoor Ahmad Zahid ◽  
Rida Irfan ◽  
Misbah Arshad ◽  
Asfand Fahad ◽  
...  
Keyword(s):  
Silicon Carbide ◽  
Graph Theory ◽  
Topological Index ◽  
Molecular Graph ◽  
Graphical Analysis ◽  
Topological Indices ◽  
Chemical Bonds ◽  
Chemical Graph ◽  
Molecular Graphs ◽  
Chemical Graph Theory

Abstract In recent years, several structure-based properties of the molecular graphs are understood through the chemical graph theory. The molecular graph G G of a molecule consists of vertices and edges, where vertices represent the atoms in a molecule and edges represent the chemical bonds between these atoms. A numerical quantity that gives information related to the topology of the molecular graphs is called a topological index. Several topological indices, contributing to chemical graph theory, have been defined and vastly studied. Recent inclusions in the class of the topological indices are the K-Banhatti indices. In this paper, we established the precise formulas for the first and second K-Banhatti, modified K-Banhatti, K-hyper Banhatti, and hyper Revan indices of silicon carbide Si 2 C 3 {{\rm{Si}}}_{2}{{\rm{C}}}_{3} - III [ n , m ] {\rm{III}}\left[n,m] . In addition, we present the graphical analysis along with the comparison of these indices for Si 2 C 3 {{\rm{Si}}}_{2}{{\rm{C}}}_{3} - III [ n , m ] {\rm{III}}\left[n,m] .

scholarly journals Connection-Based Multiplicative Zagreb Indices of Dendrimer Nanostars

2021 ◽  
Vol 2021 ◽  
pp. 1-14
Author(s):  
Aqsa Sattar ◽  
Muhammad Javaid ◽  
Ebenezer Bonyah
Keyword(s):  
Graph Theory ◽  
Physicochemical Properties ◽  
Topological Index ◽  
Molecular Graph ◽  
Topological Indices ◽  
Zagreb Indices ◽  
Mathematical Chemistry ◽  
Chemical Structures ◽  
And Mathematics

The field of graph theory is broadly growing and playing a remarkable role in cheminformatics, mainly in chemistry and mathematics in developing different chemical structures and their physicochemical properties. Mathematical chemistry provides a platform to study these physicochemical properties with the help of topological indices (TIs). A topological index (TI) is a function that connects a numeric number to each molecular graph. Zagreb indices (ZIs) are the most studied TIs. In this paper, we establish general expressions to calculate the connection-based multiplicative ZIs, namely, first multiplicative ZIs, second multiplicative ZIs, third multiplicative ZIs, and fourth multiplicative ZIs, of two renowned dendrimer nanostars. The defined expressions just depend on the step of growth of these dendrimers. Moreover, we have compared our calculated for both type of dendrimers with each other.

WEIGHTED MOSTAR INDICES OF CERTAIN GRAPHS

2021 ◽  
Vol 10 (9) ◽  
pp. 3093-3111
Author(s):  
P. Kandan ◽  
S. Subramanian ◽  
P. Rajesh
Keyword(s):  
Graph Theory ◽  
Chemical Compound ◽  
Molecular Graph ◽  
Topological Indices ◽  
Chemical Graph ◽  
Chemical Graph Theory ◽  
And Mathematics

Chemical graph theory is a mixture of chemistry and mathematics both play an important role in chemical graph theory. Chemistry provides a chemical compound and graph theory transform this chemical compound into a molecular graph, which are associated with some numerical values these values are known as topological indices. In this study we consider the weighted modification of new bond-additive Mostar indices that appear to provide quantitative measures of peripheral shapes of molecules. We have computed the Additively Weighted Mostar Index and Multiplicatively Weighted Mostar Index for Conical and Generalized gear graph.

SARS-COV2 virus and Coronavirus disease (COVID-19)

2020 ◽  
Vol 11 (SPL1) ◽  
pp. 977-982
Author(s):  
Mohamed J. Saadh ◽  
Bashar Haj Rashid M ◽  
Roa’a Matar ◽  
Sajeda Riyad Aldibs ◽  
Hala Sbaih ◽  
...  
Keyword(s):  
Close Contact ◽  
Antiviral Agents ◽  
Health Concern ◽  
The Novel ◽  
Global Public Health ◽  
Fatal Disease ◽  
Mild Disease ◽  
Life Threatening ◽  
Novel Coronavirus

SARS-COV2 virus causes Coronavirus disease (COVID-19) and represents the causative agent of a potentially fatal disease that is of great global public health concern. The novel coronavirus (2019) was discovered in 2019 in Wuhan, the market of the wet animal, China with viral pneumonia cases and is life-threatening. Today, WHO announces COVID-19 outbreak as a pandemic. COVID-19 is likely to be zoonotic. It is transmitted from bats as intermediary animals to human. Also, the virus is transmitted from human to human who is in close contact with others. The computerized tomographic chest scan is usually abnormal even in those with no symptoms or mild disease. Treatment is nearly supportive; the role of antiviral agents is yet to be established. The SARS-COV2 virus spreads faster than its two ancestors, the SARS-CoV and Middle East respiratory syndrome coronavirus (MERS-CoV), but has lower fatality. In this article, we aimed to summarize the transmission, symptoms, pathogenesis, diagnosis, treatment, and vaccine to control the spread of this fatal disease.

scholarly journals M-polynomial and topological indices of zigzag edge coronoid fused by starphene

2020 ◽  
Vol 18 (1) ◽  
pp. 1362-1369
Author(s):  
Farkhanda Afzal ◽  
Sabir Hussain ◽  
Deeba Afzal ◽  
Saira Hameed
Keyword(s):  
Graph Theory ◽  
Chemical Properties ◽  
Topological Indices ◽  
Zigzag Edge ◽  
Chemical Graph ◽  
Chemical Graph Theory ◽  
Chemical Graphs

AbstractChemical graph theory is a subfield of graph theory that studies the topological indices for chemical graphs that have a good correlation with chemical properties of a chemical molecule. In this study, we have computed M-polynomial of zigzag edge coronoid fused by starphene. We also investigate various topological indices related to this graph by using their M-polynomial.

scholarly journals Computing Topological Indices for Para-Line Graphs of Anthracene

2019 ◽  
Vol 17 (1) ◽  
pp. 955-962 ◽  
Author(s):  
Zhiqiang Zhang ◽  
Zeshan Saleem Mufti ◽  
Muhammad Faisal Nadeem ◽  
Zaheer Ahmad ◽  
Muhammad Kamran Siddiqui ◽  
...  
Keyword(s):  
Graph Theory ◽  
Chemical Compound ◽  
Line Graph ◽  
Molecular Graph ◽  
Chemical Properties ◽  
Molar Refraction ◽  
Chromatographic Behavior ◽  
Chemical Graph ◽  
Chemical Graph Theory ◽  
And Mathematics

AbstractAtoms displayed as vertices and bonds can be shown by edges on a molecular graph. For such graphs we can find the indices showing their bioactivity as well as their physio-chemical properties such as the molar refraction, molar volume, chromatographic behavior, heat of atomization, heat of vaporization, magnetic susceptibility, and the partition coefficient. Today, industry is flourishing because of the interdisciplinary study of different disciplines. This provides a way to understand the application of different disciplines. Chemical graph theory is a mixture of chemistry and mathematics, which plays an important role in chemical graph theory. Chemistry provides a chemical compound, and graph theory transforms this chemical compound into a molecular graphwhich further is studied by different aspects such as topological indices.We will investigate some indices of the line graph of the subdivided graph (para-line graph) of linear-[s] Anthracene and multiple Anthracene.

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