Web of Science (Emerging Sources Citation Index), ISC
Methematical Chemistry
1. Computational analysis of new degree-based descriptors of Zig-Zag Benzenoid system

Farkhanda Afzal; Muhammad Zaman; Faryal Chaudhry; Deeba Afzal; Mohammad Reza Farahani; Murat Cancan

Volume 3, Issue 6 , June 2021, , Pages 418-424

http://dx.doi.org/10.22034/ecc.2021.284310.1174

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, first K-hyper Banhatti, second K-hyper Banhatti, modified first K-Banhatti, modified second K-Banhatti and harmonic K-Banhatti ...  Read More

Computational analysis of new degree-based descriptors of Zig-Zag Benzenoid system


Methematical Chemistry
2. Degree-based entropy of molecular structure of HAC5C7[P,Q]

Farkhanda Afzal; Murat Cancan; Suleyman Ediz; Deeba Afzal; Faryal Chaudhry; Mohammad Reza Farahani

Volume 3, Issue 5 , May 2021, , Pages 291-295

http://dx.doi.org/10.22034/ecc.2021.278787.1156

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 sum index atom-bond connectivity entropy and geometric arithmetic entropy for the nanotube HAC5C7[p,q].  Read More

Degree-based entropy of molecular structure of HAC5C7[P,Q]


Methematical Chemistry
3. Topological indices of the system of generalized prisms via M-Polynomial approach

Farkhanda Afzal; Mohammad Reza Farahani; Murat Cancan; Faiza Arshad; Deeba Afzal; Faryal Chaudhry

Volume 3, Issue 5 , May 2021, , Pages 296-300

http://dx.doi.org/10.22034/ecc.2021.278749.1155

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 interesting for physics and engineering researchers. Regarding this network, we recovered some degree-based topological ...  Read More

Topological indices of the system of generalized prisms via M-Polynomial approach


Computational Chemistry
4. Domination topological properties of some chemical structures using φp-polynomial approach

Hanan Ahmed; Mohammad Reza Farahani; Anwar Alwardi; Ruby Salestina M

Volume 3, Issue 4 , April 2021, , Pages 210-218

http://dx.doi.org/10.22034/ecc.2021.271992.1133

Abstract
  φp -Polynomial is one way to represent a graph algebraically, and it has a major role in theoretical chemistry. It is used in the calculation of the exact values of many topological indices that depend on the P set degree. In this paper, we study the φp -Polynomial by using minimal and minimum ...  Read More

Domination topological properties of some chemical structures using φp-polynomial approach


Methematical Chemistry
5. On the ψk-polynomial of graph

Ammar Alsinai; Anwar Alwardi; Mohammad Reza Farahani; Nandappa D. Soner

Volume 3, Issue 4 , April 2021, , Pages 219-226

http://dx.doi.org/10.22034/ecc.2021.274069.1138

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} and dk(v), dk(u) are the kth degree distance of v and u, and δk, ∆k are the minimum and maximum kth distance ...  Read More

On the ψk-polynomial of graph


Methematical Chemistry
6. Degree based topological indices of tadpole graph via M-polynomial

Faryal Chaudhry; Muhammad Ehsan; Farkhanda Afzal; Mohammad Reza Farahani; Murat Cancan; Idris Ciftci

Volume 3, Issue 3 , March 2021, , Pages 146-153

http://dx.doi.org/10.22034/ecc.2021.269116.1125

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 graphical operations. The demonstration of chemical compounds and chemical networks with the M-polynomials is a revolution ...  Read More

Degree based topological indices of tadpole graph via M-polynomial


Methematical Chemistry
7. Theoretical study of benzene ring embedded in P-type surface in 2d network using some new degree based topological indices via M-polynomial

Sabir Hussain; Farkhanda Afzal; Deeba Afzal; Mohammad Reza Farahani; Murat Cancan; Suleyman Ediz

Volume 3, Issue 3 , March 2021, , Pages 180-186

http://dx.doi.org/10.22034/ecc.2021.272315.1134

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 that is used to find the expressions of several degree dependent topological indices. These topological indices have the ...  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


Methematical Chemistry
8. Computing M-polynomial and topological indices of TUHRC4 molecular graph

Faryal Chaudhry; Muhammad Ehsan; Farkhanda Afzal; Mohammad Reza Farahani; Murat Cancan; Idris Çiftçi

Volume 3, Issue 2 , February 2021, , Pages 103-109

http://dx.doi.org/10.22034/ecc.2021.269115.1124

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. The local graph parameter is valency, which is defined for every vertex as the number associates with other vertices ...  Read More

Computing M-polynomial and topological indices of TUHRC4 molecular graph


Methematical Chemistry
9. A note on QSPR analysis of total Zagreb and total Randić İndices of octanes

Süleyman Ediz; Idris Çiftçi; Ziyattin Taş; Murat Cancan; Mohammad Reza Farahani; Mehmet Serif Aldemir

Volume 3, Issue 2 , February 2021, , Pages 139-145

http://dx.doi.org/10.22034/ecc.2021.271640.1132

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 chemistry and chemical graph theory. These three topological indices have been used for modeling physical properties of ...  Read More

A note on QSPR analysis of total Zagreb and total Randić İndices of octanes


Computational Chemistry
10. Weighted entropies of HAC5C7[p;q] nanotube

Farkhanda Afzal; Faiza Afzal; Deeba Afzal; Mohammad Reza Farahani; Zahid Hussain; Murat Cancan

Volume 3, Issue 1 , January 2021, , Pages 1-5

http://dx.doi.org/10.22034/ecc.2021.119835

Abstract
  The aim of this article was to compute weighted entropy of some well-known nanostructure HAC5C7[p;q]. We applied probability density function to formulate entropy by taking different topological indices as edge weights for example Zagreb indices, modified Zagreb indices, augmented Zagreb index and Randić ...  Read More

Weighted entropies of HAC5C7[p;q] nanotube


Computational Chemistry
11. Weighted entropies of Tuc5c8[P;Q] nanotube with the degree based topological indices as weights

Farkhanda Afzal; Faiza Afzal; Deeba Afzal; Mohammad Reza Farahani; Murat Cancan; Suleyman Ediz

Volume 3, Issue 1 , January 2021, , Pages 14-18

http://dx.doi.org/10.22034/ecc.2021.120281

Abstract
  The entropy of a graph is a function depending both on the graph itself and on a probability distribution on its vertex set. This graph function originated in the problem of source coding in information theory and was introduced by J. Krner in 1973. Although the notion of graph entropy has its roots ...  Read More

Weighted entropies of Tuc5c8[P;Q] nanotube with the degree based topological indices as weights


Computational Chemistry
12. M-polynomial and degree-based topological indices and line graph of hex board graph

Shahid Amin; Muhammad Aziz Ur Rehman; Mehmet Serif Aldemir; Murat Cancan; Mohammad Reza Farahani

Volume 2, Issue 12 , December 2020, , Pages 1156-1163

http://dx.doi.org/10.22034/ecc.2020.255143.1094

Abstract
  A topological index (TI) is a positive real number associated with the graph of molecule and remains invariant up to graph isomorphism. Until now, several TIs are defined and there are mainly three types: Degree depending, distance depending and spectrum depending. All these TIs found huge applications ...  Read More

M-polynomial and degree-based topological indices and line graph of hex board graph


Computational Chemistry
13. The first and second Zagreb polynomial and the forgotten polynomial of Cm×Cn

Farkhanda Afzal; Deeba Afzal; Abdul Qudair Baig; Mohammad Reza Farahani; Murat Cancan; Süleyman Ediz

Volume 2, Issue 12 , December 2020, , Pages 1183-1187

http://dx.doi.org/10.22034/ecc.2020.256293.1097

Abstract
  In this paper, the 1st and 2nd Zagreb polynomials and the forgotten polynomial of Cm×Cn were computed. Some degree-based topological indices such as 1st and 2nd multiple Zagreb indices, Hyper Zagreb index and the forgotten index or F-index of the given networks were also computed. In addition, ...  Read More

The first and second Zagreb polynomial and the forgotten polynomial of Cm×Cn


Computational Chemistry
14. Leap indices and their polynomials of the derived graph of the subdivision of certain polyphenyls

Fatima Asif; Zohaib Zahid; Mohammad Reza Farahani; Murat Cancan; Suleyman Ediz

Volume 2, Issue 12 , December 2020, , Pages 1195-1201

http://dx.doi.org/10.22034/ecc.2020.258210.1104

Abstract
  Topological indices are real (numerical) values which are associated with chemical compositions to correlate with chemical structure with different physical properties, chemical and biological activities. In this article, we computed and compaed leap Zagreb indices and leap hyper-Zagreb indices of the ...  Read More

Leap indices and their polynomials of the derived graph of the subdivision of certain polyphenyls


Methematical Chemistry
15. Degree-based topological descriptors of Star of David and Hexagonal Cage networks

Haidar Ali; Muhammad Kashif Shafiq; Mohammad Reza Farahani; Murat Cancan; Mehmet Serif Aldemir

Volume 2, Issue 11 , November 2020, , Pages 1093-1100

http://dx.doi.org/10.22034/ecc.2020.251921.1081

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 topology of graphs are called topological indices. Several physical and chemical properties like boiling point, entropy, ...  Read More

Degree-based topological descriptors of Star of David and Hexagonal Cage networks


Methematical Chemistry
16. New degree-based topological descriptors via m-polynomial of boron α-nanotube

Deeba Afzal; Sabir Hussain; Mehmet Serif Aldemir; Mohammad Reza Farahani; Farkhanda Afzal

Volume 2, Issue 11 , November 2020, , Pages 1117-1125

http://dx.doi.org/10.22034/ecc.2020.254614.1092

Abstract
  The study of molecular structure having size less than 100 nm is called nanotechnology. Nano-materials have vast applications in different fields. Boron α-nanotube is very famous in Nano-science. In this article, we computed some important topological indices of this structure using their M-polynomial ...  Read More

New degree-based topological descriptors via m-polynomial of boron α-nanotube


Computational Chemistry
17. Multiplicative degree-based topological indices and line graph of hex board graph

Shahid Amin; Muhammad Aziz Ur Rehman; Mohammad Reza Farahani; Murat Cancan; Mehmet Serif Aldemir

Volume 2, Issue 11 , November 2020, , Pages 1137-1145

http://dx.doi.org/10.22034/ecc.2020.255142.1093

Abstract
  Mathematical chemistry is the area of research in mathematics, in which problems of chemistry are solved by utilizing techniques of mathematics. In mathematical chemistry, a number is assigned to molecular graph of compound called topological index (TI) which depends on the topology of compound and helps ...  Read More

Multiplicative degree-based topological indices and line graph of hex board graph


Methematical Chemistry
18. Computing metric and partition dimension of tessellation of plane by boron nanosheets

Mohanad Ali Mohammed; Ameer J Munshid; Hafiz Muhammad Afzal Siddiqui; Mohammad Reza Farahani

Volume 2, Issue 10 , October 2020, , Pages 1064-1071

http://dx.doi.org/10.22034/ecc.2020.251927.1083

Abstract
  Metric dimension dim(G) and portion dimension pd(G) are usually related as pd(G)≤dim(G)+1. However, if the partition dimension is significantly smaller than the metric dimension, then it is termed as discrepancy. This paper mainly deals with metric dimension and partition dimension of tessellation ...  Read More

Computing metric and partition dimension of tessellation of plane by boron nanosheets


Methematical Chemistry
19. Some topological descriptors and algebraic polynomials of Pm+FPm

Abdul Qudair Baig; Adnan Amin; Mohammad Reza Farahani; Muhammad Imran; Murat Cancan; Mehmet Serif Aldemir

Volume 2, Issue 10 , October 2020, , Pages 1072-1081

http://dx.doi.org/10.22034/ecc.2020.251925.1082

Abstract
  A topological index of G is a quantity related to G that characterizes its topology. Properties of the chemical compounds and topological invariants are related to each other. In this paper, we derive the algebraic polynomials including first and second Zagreb polynomials, and forgotten polynomial for ...  Read More

Some topological descriptors and algebraic polynomials of Pm+FPm


Methematical Chemistry
20. Ve-degree and Ev-degree topological analysis of some anticancer drugs

Süleyman Ediz; Murat Cancan; Mehdi Alaeiyan; Mohammad Reza Farahani

Volume 2, Issue 8 , August 2020, , Pages 834-840

http://dx.doi.org/10.22034/ecc.2020.107867

Abstract
  Computing topological indices of drug structures provides the chemical information about the underlying topology of the drug’s structures. Novel anticancer drug studies have been conducting by researches to design and produce ideal drugs. Chemical properties of these new drug candidates investigated ...  Read More

Ve-degree and Ev-degree topological analysis of some anticancer drugs


Methematical Chemistry
21. On Van, r and s topological properties of the Sierpinski triangle networks

Süleyman Ediz; Mehdi Alaeiyan; Mohammad Farahani; Murat Cancan

Volume 2, Issue 7 , July 2020, , Pages 819-826

http://dx.doi.org/10.33945/SAMI/ECC.2020.7.9

Abstract
  A topological index-a numerical quantity derived from the graph of a chemical network-is used for modelling the mathematical, chemical and physical properties of these networks and chemicals. The topological properties of the Sierpinski triangle has been newly studied in chemical graph theory. In this ...  Read More

On Van, r and s topological properties of the Sierpinski triangle networks


Computational Chemistry
22. The eccentric connectivity index of polycyclic aromatic hydrocarbons (PAHs)

Mehdi Alaeiyan; Chidambaram Natarajan; G Sathiamoorthy; Mohammad Reza Farahani

Volume 2, Issue 6 , June 2020, , Pages 646-651

http://dx.doi.org/10.33945/SAMI/ECC.2020.6.1

Abstract
  Mathematical chemistry is the area of research engaged in new application of Mathematics in Chemistry. Major areas of research in mathematical chemistry include chemical graph theory. Chemical graph theory applies graph theory to mathematical modeling of chemical phenomena. If G=(V(G),E(G)) is a connected ...  Read More

The eccentric connectivity index of polycyclic aromatic hydrocarbons (PAHs)


Computational Chemistry
23. Computation of bond incident degree (BID) indices of complex structures in drugs

Jia-Bao Liu; Abdul Qudair Baig; Muhammad Imran; Waqas Khalid; Muhammad Saeed; Mohammad Reza Farahani

Volume 2, Issue 6 , June 2020, , Pages 672-679

http://dx.doi.org/10.33945/SAMI/ECC.2020.6.4

Abstract
  The molecular topological descriptors are the numerical in-variants of a molecular graph and are very useful and efficient to predict their bioactivity. Dendrimers are highly branched organic macro-molecules with successive layers or generations of branch units surrounding a central core and have many ...  Read More

Computation of bond incident degree (BID) indices of complex structures in drugs