Results 11 to 20 of about 11,826 (248)
On the maximum atom-bond sum-connectivity index of molecular trees
AKCE International Journal of Graphs and CombinatoricsLet G be a graph with V(G) and E(G), as vertex set and edge set, respectively. The atom-bond sum-connectivity (ABS) index is a vertex-based topological index which is defined as [Formula: see text] where [Formula: see text] is the degree of the vertex a.
Zhonglin Cheng +2 more
doaj +4 more sources
Comparative entropy analysis of 2D transition metal tetrahydroxyquinones via machine learning approaches [PDF]
Scientific ReportsThis paper focuses on the study of the framework of transition metal tetrahydroxyquinone (TM-THQ) which is a chemical belonging to the metal-organic framework (MOF) family.
Muhammad Irfan +5 more
doaj +2 more sources
Enhancing bioinformatics engineering by utilizing graph therapeutic properties for clinically approved antitoxin drugs in zoonotic diseases [PDF]
Scientific ReportsAnthrax, a zoonotic disease caused by the bacterium Bacillus anthracis. It primarily affects animals and spreads to humans through direct contact or inhalation.
Muhammad Imran +3 more
doaj +2 more sources
QSAR analysis of drugs using graph based degree based topological indices and regression models [PDF]
Scientific ReportsDrugs are chemical solutions that are extensively used in diagnosing, prevention and treatment of diseases. To develop the drugs, it is important to understand the correlation between the drugs structure and their physicochemical behavior.
Zeeshan Saleem Mufti +3 more
doaj +2 more sources
AKCE International Journal of Graphs and CombinatoricsThe computation of the clique number of a graph is a fundamental problem in graph theory, which has many applications in computational chemistry, bioinformatics, computer, and social networking.
Ying Wang +5 more
doaj +2 more sources
On the general atom-bond sum-connectivity index
AIMS Mathematics, 2023 <abstract><p>This paper is concerned with a generalization of the atom-bond sum-connectivity (ABS) index, devised recently in [A. Ali, B. Furtula, I. Redžepović, I. Gutman, Atom-bond sum-connectivity index, <italic>J. Math. Chem.</italic>, <bold>60</bold> (2022), 2081-2093].
Abeer M. Albalahi, Zhibin Du, Akbar Ali
openaire +2 more sources
Analysis of the properties of the topological Index using (analysis tools)
Al-Kitab Journal for Pure Sciences, 2023 Graph G has two sets of information: the vertices, V(G), and the edges, E(G). The definitions for the Connectivity, Geometric Arithmetic, Atomic Bond, and Sum Connectivity Indices of G: were deg(u), deg(v) are a degree of vertices. Dendrimers are
Batool Hatawi, Nabil Aref
doaj +1 more source
Sharp inequalities for the atom-bond (sum) connectivity index
Journal of Mathematical Inequalities, 2023 For a graph \(G\), the atom-bond connectivity (ABC) index (respectively, atom-bond sum connectivity (ABS) index) of \(G\) is defined as the sum of the numbers \(\sqrt{\frac{d_i +d_j-2} {d_id_j}}\) (respectively, \(\sqrt{\frac{d_i +d_j -2} {d_i + d_j}}\) ) over all the unordered pairs \(\{v_i,v_j\}\) of adjacent vertices of \(G\), where \(d_i\) and ...
Ali, Akbar +3 more
openaire +1 more source
Vertex-Based Topological Indices of Double and Strong Double Graph of Dutch Windmill Graph
Journal of Chemistry, 2021 A measurement of the molecular topology of graphs is known as a topological index, and several physical and chemical properties such as heat formation, boiling point, vaporization, enthalpy, and entropy are used to characterize them.
Muhammad Asad Ali +3 more
doaj +1 more source
Topological Descriptors of M-Carbon Mr,s,t
Journal of Chemistry, 2021 We have studied topological indices of the one the hardest crystal structures in a given chemical system, namely, M-carbon. These structures are based and obtained by the famous algorithm USPEX. The computations and applications of topological indices in
Hong Yang, Muhammad Naeem
doaj +1 more source