Results 21 to 30 of about 56 (44)

Harmonic‐Arithmetic Index: Lower Bound for n‐Order Trees With Fixed Number of Pendant Vertices and Monogenic Semigroup for Graph Operations

International Journal of Mathematics and Mathematical Sciences, Volume 2025, Issue 1, 2025.
Graph theory combined with chemistry provides a strong framework for modeling and assessing chemical compounds. By representing molecules as graphs and applying topological indices, chemists can gain profound insights into the physical and chemical characteristics of compounds.
Kalpana R., Shobana L., Vladimir Mityushev   +2 more
wiley   +1 more source

On the Harary Estrada index of graphs

Special Matrices
Let GG be a connected graph with nn vertices v1,…,vn{v}_{1},\ldots ,{v}_{n}. The Harary matrix of GG, denoted by H(G)H\left(G), is an n×nn\times n matrix with a zero main diagonal, where the (i,j)\left(i,j)-entry is 1d(vi,vj)\frac{1}{d\left({v}_{i},{v}_ ...
Oboudi Mohammad Reza
doaj   +1 more source

Multiplicative topological indices: Analytical properties and application to random networks [PDF]

We consider two general classes of multiplicative degree-based topological indices (MTIs). This work has three objectives: First, we follow an analytical approach to deal with a classical topic in the study of topological indices: to find inequalities ...
Aguilar Sánchez, Rocío, Méndez Bermúdez, J. A., Rodríguez García, José Manuel, Sigarreta Almira, José María   +3 more
core   +2 more sources

An Effective Approach in Fuzzy Graph Molecular Modeling Using Randic Index and Its Applications in Medicinal Chemistry for Parkinson’s Drugs

Journal of Mathematics, Volume 2025, Issue 1, 2025.
In graph theory, the Randic index (R) is a topological graph invariant widely used as a physicochemical descriptor in the mathematical modeling of molecular structures. However, traditional molecular graphs fail to capture the heterogeneity of chemical bonds, since they treat all edges as uniform, ignoring variations in bond lengths and strengths.
Ying Wang, Ali Asghar Talebi, Mahsa Sadeghi, Aysha Khan, Jana Shafi, Pramita Mishra   +5 more
wiley   +1 more source

Predictive modeling of physical properties in silane compounds using topological descriptors: A computational approach

Main Group Metal Chemistry
Silane compounds are a class of chemical compounds composed of silicon (Si) and hydrogen (H), characterized by the general formula SiH4−xRx{{\rm{SiH}}}_{4-x}{R}_{x}, where RR represents various organic groups. The simplest member of this family is silane
Zhang Xiujun, Yousaf Shamaila, Shahzadi Komal, Ibrahim Sobhy M., Aslam Adnan   +4 more
doaj   +1 more source

On General Sum‐Connectivity Index and Number of Segments of Fixed‐Order Chemical Trees

Journal of Mathematics, Volume 2025, Issue 1, 2025.
Nowadays, one of the most active areas in mathematical chemistry is the study of the mathematical characteristics associated with molecular descriptors. The primary objective of the current study is to find the largest value of χα of graphs in the class of all fixed‐order chemical trees with a particular number of segments for α > 1, where χα is the ...
Muzamil Hanif, Akhlaq A. Bhatti, Hicham Saber, Adel A. Attiya, Akbar Ali, Guo Zhong   +5 more
wiley   +1 more source

Implementation of multi-criteria decision making for the ranking of drugs used to treat bone-cancer [PDF]

The concept of "topological index" refers to a numerical value determined by the structure of a chemical network. It serves to determine the physicochemical and biological properties of diverse medications, offering a more precise depiction of the ...
Fozia Bashir Farooq
core   +1 more source

On the Multiplicative Sum Zagreb Index of Molecular Trees With Given Order and Number of Branching Vertices

Journal of Mathematics, Volume 2025, Issue 1, 2025.
The multiplicative sum Zagreb index of a graph G is defined as the product of the sum of the degrees of adjacent vertices of G. A molecular tree is an acyclic connected graph with maximum degree at most 4. A vertex in a molecular tree with degree 3 or 4 is referred to as a branching vertex. In this paper, we consider the class of all molecular trees of
Sadia Noureen, Mubashar Abbas, Abdulaziz Mutlaq Alotaibi, Jaya Percival Mazorodze, Taher S. Hassan, Akbar Ali, Zafar Ullah   +6 more
wiley   +1 more source

The Expected Values of Hosoya Index and Merrifield-Simmons Index of Random Hexagonal Cacti

, 2023
Hosoya index and Merrifield-Simmons index are two well-known topological descriptors that reflex some physical properties, boiling point or heat of formation for instance, of bezenoid hydrocarbon compounds.
Jiarasuksakun, Thiradet, Kaemawichanurat, Pawaton, Klamsakul, Natawat, Oo, Moe Moe, Wiroonsri, Nathakhun   +4 more
core  

Study on (r, s)-generalised transformation graphs, a novel perspective based on transformation graphs

Main Group Metal Chemistry
For a graph Q=(V,E){\mathbb{Q}}=\left({\mathbb{V}},{\mathbb{E}}), the transformation graph are defined as graphs with vertex set being V(Q)∪E(Q){\mathbb{V}}\left({\mathbb{Q}})\cup {\mathbb{E}}\left({\mathbb{Q}}) and edge set is described following ...
Ali Parvez, Baby Annmaria, Xavier D. Antony, Theertha Nair A., Ali Haidar, Kirmani Syed Ajaz K.   +5 more
doaj   +1 more source