Quantitative Structure-Activity Relationship

The IRC Indices of Transformation and Derived Graphs
An irregularity index I R(Γ) of a graph Γ is a nonnegative numeric quantity (i.e., I R(Γ) ≥ 0) such that I R(Γ) = 0 iff Γ is a regular …
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On the Laplacians and Normalized Laplacians for Graph Transformation with Respect to the Dicyclobutadieno Derivative of [n]Phenylenes
As a crucial tool for exploring and characterizing the structure properties of the molecular graphs, spectrum analysis and computation …
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Topological index analysis of a class of networks analogous to alicyclic hydrocarbons and their derivatives
Alicyclic hydrocarbons and their derivatives have been studied extensively by researchers in recent years. Actually, they are a …
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Valency-Based Molecular Descriptors for Measuring the π-Electronic Energy of Lower Polycyclic Aromatic Hydrocarbons
In this article, the efficiency of all the well-known valency-based molecular descriptors has been measured using certain comparative …
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Quality testing of spectrum-based distance descriptors for polycyclic aromatic hydrocarbons with applications to carbon nanotubes and nanocones
In this paper, we investigate the predictive potential of commonly occurring spectrum-based distance descriptors which are based on …
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Quality testing of spectrum-based valency descriptors for polycyclic aromatic hydrocarbons with applications
In this paper, we investigate the prediction potential of commonly occurring eigenvalues-based descriptors which are related to …
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A computer-based method to determine predictive potential of distance-spectral descriptors for measuring the π-electronic energy of benzenoid hydrocarbons with applications
Graph signal processing deals with signals whose domain, defined by a graph, is irregular. The total π -electron energy or simply the π …
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Correlation Ability of Degree-Based Topological Indices for Physicochemical Properties of Polycyclic Aromatic Hydrocarbons with Applications
Several chemical and medical experimentation reveals a dependence of physicochemical and biological properties of a compound on its …
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Hamilton-connectedness and hamilton-laceability of planar geometric graphs with applications
In this paper, we have used two different proof techniques to show the Hamilton-connectedness of graphs. By using the vertex …
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On the Laplacians for Strong Product Graphs Based on Polyacene Graphs
Let Hn be the molecular graph of a linear polyacene chain. In this paper, we introduce a kind of linear polyacene cylinder graph …
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