Results 11 to 20 of about 722,873 (188)

Topological Properties of Degree-Based Invariants via M-Polynomial Approach

Journal of Mathematics, 2022
Chemical graph theory provides a link between molecular properties and a molecular graph. The M-polynomial is emerging as an efficient tool to recover the degree-based topological indices in chemical graph theory.
Samirah Alsulami, Sabir Hussain, Farkhanda Afzal, Mohammad Reza Farahani, Deeba Afzal   +4 more
doaj   +2 more sources

Zagreb polynomials of three graph operators

Filomat, 2016
In general, the relations among Zagreb polynomials on three graph operators are discussed in this paper. Specifically, relations between Zagreb polynomials of a graph G and a graph obtained by applying the operators S(G), R(G) and Q(G) are investigated.
CANGÜL, İSMAİL NACİ, ÇEVİK, AHMET SİNAN, Lokesha, V., Bindusree, A. R.   +3 more
core   +6 more sources

Some Novel Results Involving Prototypical Computation of Zagreb Polynomials and Indices for SiO₄ Embedded in a Chain of Silicates

Molecules, 2022
A topological index as a graph parameter was obtained mathematically from the graph’s topological structure. These indices are useful for measuring the various chemical characteristics of chemical compounds in the chemical graph theory.
El Sayed M. Tag El Din, Faisal Sultan, Muhammad Usman Ghani, Jia-Bao Liu, Sanaullah Dehraj, Murat Cancan, Fahad M. Alharbi, Abdullah Alhushaybari   +7 more
doaj   +4 more sources

TOPSIS based multi criteria QSPR modeling of antibiotics using graph theoretic indices [PDF]

Scientific Reports
This paper focuses on the structural features of antibiotic drugs based on topological descriptors defined according to the M-polynomial framework.
Atef F. Hashem, Muhammad Farhan Hanif, Amber Shafiq, Ebraheem Alzahrani   +3 more
doaj   +2 more sources

Computation of differential and integral operators using M-polynomials of gold crystal

Heliyon
Gold is generally considered a noble metal since it is inherently inert in its bulk state. However, gold demonstrates reactivity when it is in its ionic state.
Abdul Rauf Khan, Saad Amin Bhatti, Muhammad Imran, Ferdous M.O. Tawfiq, Murat Cancan, Shahid Hussain   +5 more
doaj   +2 more sources

Applications of magnesium iodide structure via modified-polynomials [PDF]

Scientific Reports
A relatively recent approach in molecular graph theory for analyzing chemical networks and structures is called a modified polynomial. It emphasizes the characteristics of molecules through the use of a polynomial-based procedure and presents numerical ...
Haleemah Ghazwani, Muhammad Kamran Jamil, Ali Ahmad, Muhammad Azeem, Ali N. A. Koam   +4 more
doaj   +2 more sources

On physical analysis of topological indices and entropy measures for porphyrazine structure using logarithmic regression model [PDF]

Scientific Reports
The porphyrazine structure, known for its high chemical and thermal stability, has become a significant focus in materials science, chemical reactivity, functionalization, and drug design.
Asma Khalid, Shoaib Iqbal, Muhammad Kamran Siddiqui, Tariq Javed Zia, Brima Gegbe   +4 more
doaj   +2 more sources

Zagreb Polynomials, Co-Polynomials of Bipartite and Strongly Bipartite Graphs

Journal of Educational Research and Policies
First Zagreb polynomial of a graph G with vertex set V(G) and edge set E(G) is defined as M1(G,x) =∑uv∈E(G)xdu+dv and the first Zagreb index can be obtained from it as M1(G) = M1(G,x)|x=1. In this paper Zagreb polynomials, co-polynomials and corresponding Zagreb indices, co-indices are obtained for path, cycle, double and strong double graphs.
exaly   +2 more sources

Atom bond connectivity index for graph with self-loops and its application to structure property relationships in anticancer drugs [PDF]

Scientific Reports
Let $$G_S$$ be a graph derived from a simple graph G by adding a self-loop to each vertex in a subset $$S\subseteq V(G)$$ . In this paper, we define the atom bond connectivity index of the graph $$G_S$$ as $$ABC(G_S)$$ and the atom bond connectivity ...
B. Sharath, H. J. Gowtham
doaj   +2 more sources

Graph-Theoretical Approach for Predicting Physicochemical Properties of Stiff-Person Syndrome Drugs. [PDF]

ChemistryOpen
Graph‐theoretical descriptors derived from M‐polynomials are integrated with quantitative structure–property relationship modeling and machine learning to uncover structure–property relationships of drugs used in stiff‐person syndrome. Strong correlations between degree‐based topological indices and key physicochemical properties are revealed ...
Ali J, Ali Y, Malik MA, Shang Y.
europepmc   +2 more sources