Results 1 to 10 of about 56 (44)
A novel method for inference of acyclic chemical compounds with bounded branch-height based on artificial neural networks and integer programming. [PDF]
Algorithms Mol Biol, 2021 Analysis of chemical graphs is becoming a major research topic in computational molecular biology due to its potential applications to drug design.
Azam NA +7 more
europepmc +5 more sources
, 2022 A Special Volume on Chemical Graph Theory in Memory of Nenad TrinajsticWe introduce a degree–based variable topological index inspired on the power (or generalized) mean. We name this new index as the mean Sombor index: SOα(G) = P uv∈E(G) [(d α u + d α v
Aguilar-Sánchez, R. +3 more
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On ABC energy and its application to anticancer drugs [PDF]
, 2023 For a simple connected graph $ \Gamma $ with node set $ V(\Gamma) = \{w_{1}, w_{2}, \dots, w_{n}\} $ and degree sequence $ d_{i} $, the atom-bond connectivity ($ ABC $) matrix of $ \Gamma $ has an $ (ij) $-th entry $ \sqrt{\frac{d_{i}+d_{j}-2}{d_{i ...
Alaa Altassan +2 more
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Hosoya properties of the commuting graph associated with the group of symmetries
Main Group Metal Chemistry, 2021 A vast amount of information about distance based graph invariants is contained in the Hosoya polynomial. Such an information is helpful to determine well-known distance based molecular descriptors.
Abbas Ghulam +4 more
doaj +1 more source
On inverse sum indeg energy of graphs
Special Matrices, 2023 For a simple graph with vertex set {v1,v2,…,vn}\left\{{v}_{1},{v}_{2},\ldots ,{v}_{n}\right\} and degree sequence dvii=1,2,…,n{d}_{{v}_{i}}\hspace{0.33em}i=1,2,\ldots ,n, the inverse sum indeg matrix (ISI matrix) AISI(G)=(aij){A}_{{\rm{ISI}}}\left(G ...
Jamal Fareeha +2 more
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Computing the Hosoya Polynomial of M‐th Level Wheel and Its Subdivision Graph
Journal of Chemistry, Volume 2021, Issue 1, 2021., 2021 The determination of Hosoya polynomial is the latest scheme, and it provides an excellent and superior role in finding the Weiner and hyper‐Wiener index. The application of Weiner index ranges from the introduction of the concept of information theoretic analogues of topological indices to the use as major tool in crystal and polymer studies.
Peng Xu +6 more
wiley +1 more source
Sharp bounds for the general Randić index of graphs with fixed number of vertices and cyclomatic number [PDF]
, 2023 The cyclomatic number, denoted by $ \gamma $, of a graph $ G $ is the minimum number of edges of $ G $ whose removal makes $ G $ acyclic. Let $ \mathscr{G}_{n}^{\gamma} $ be the class of all connected graphs with order $ n $ and cyclomatic number ...
Guifu Su +6 more
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A curious family of convex benzenoids and their altans [PDF]
, 2022 The altan graph of G, a(G, H), is constructed from graph G by choosing an attachment set H from the vertices of G and attaching vertices of H to alternate vertices of a new perimeter cycle of length 2|H|.
Bašić, N., Fowler, P.W.
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Open Chemistry, 2021 In the study of chemical graph theory, an enormous number of research analyses have confirmed that the characteristics of chemicals have a nearby connection with their atomic structure.
Chen Shu-Bo +4 more
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Non-commuting graph of the dihedral group determined by Hosoya parameters
Alexandria Engineering Journal, 2022 Hosoya introduced the concept of graph terminologies in chemistry and provide a modeling for molecules. This modeling leads to predict the chemical properties of molecules, easy classification of chemical compounds, computer simulations and computer ...
Muhammad Salman +4 more
doaj +1 more source