Results 11 to 20 of about 60 (47)
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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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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Spectral properties of balanced trees and dendrimers
, 2022 We investigate the spectral properties of balanced trees and dendrimers, with a view toward unifying and improving the existing results. Here we find a semi-factorized formula for their characteristic polynomials.
Damnjanović, Ivan +2 more
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, 2023 The network systems and graphical analysis through the study ofstructural characteristics is a vast field of growing importance inresearch. Topological indices have a significant and crucial role inthe study of structure–property relationships.
Ishita Sarkar +2 more
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Bounds for the Gutman-Milovanovic index and some applications [PDF]
In this paper, we examine the Gutman-Milovanovic index and establish new upper and lower bounds for it. These bounds include terms related to the general sum connectivity index, the general second Zagreb index, and the hyperbolicity constant of the ...
Granados, Ana +3 more
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New bounds for variable topological indices and applications [PDF]
One of the most important information related to molecular graphs is given by the determination (when possible) of upper and lower bounds for their corresponding topological indices. Such bounds allow to establish the approximate range of the topological
Granados, Ana +3 more
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Extremal polygonal chains with respect to the Kirchhoff index
, 2023 The Kirchhoff index is defined as the sum of resistance distances between all pairs of vertices in a graph. This index is a critical parameter for measuring graph structures.
Ma, Qi
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