On Characterization of 3D Molecular Structure

By M. Randic, M. Razinger. 2002

209 citations recorded by the source corpus.

Subfields: Computational Theory and Mathematics, Geometry and Topology, Inorganic Chemistry

View Paper: https://www.semanticscholar.org/paper/6e19b7bba8439d8150ead493ce635c1c5fe5081e

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In Computational Theory and Mathematics

In Geometry and Topology

In Inorganic Chemistry

Citations in the corpus

Survey on Geometric-Arithmetic Indices of Graphs (2011, methodology): “Hence, the probably best known and most widely used Wiener index [12,90,93] is based on topological distance of vertices in the respective graph, the Hosoya index [53,66] is calculated by counting non-incident edges in a graph, the energy [31, 35, 46] and the Estrada index [23, 94] are based on the ”
Quadrature rule-based bounds for functions of adjacency matrices (2010, background): “Recent work has often focused on the definition and evaluation of computable quantities that describe interesting characteristics of a given network or of its parts.”
ON ESTRADA INDEX (2008, methodology): “Conversely, it is easy to see that equality holds in (2) if G ∼= Kn or G ∼= Kn .”
The communicability distance in graphs (2012, background): “The self-communicability was first proposed in 2000 for the study of the degree of folding of proteins [3].”
PageRank beyond the Web (2014, methodology): “a good measure of a page’s similarity to a hub, according to both Fogaras [2003] and Bar-Yossef and Mashiach [2008]. PageRank and reverse PageRank also provide information on the “spaminess” of particular pages through metrics such as TrustRank and BadRank. PageRank-based information also helped to ”
Fast Estimation of tr(f(A)) via Stochastic Lanczos Quadrature (2017, background): “The problem of estimating the trace of matrix functions appears frequently in applications of machine learning, signal processing, scientific computing, statistics, computational biology, and computational physics [6, 17, 39, 37, 20, 30, 33, 2, 26].”
The Physics of Communicability in Complex Networks (2011, background): “The sum of the subgraph centralities for all nodes in the network represents a global index for the network [39,46], which is nowadays known as the Estrada index of a network [47–49]:”
Extreme Atom-Bond Connectivity Index of Graphs (2011, background): “, see [5,8-10]) and several of them have found applications in QSPR/QSAR studies.”
Approximating the Spectral Sums of Large-scale Matrices using Chebyshev Approximations (2016, background): “The Estrada index (Σexp(A)) has been initially developed for topological index of protein folding in the study of protein functions and protein-ligand interactions [17, 14], and currently it appears in numerous other applications, e.g., statistical thermodynamics [20, 19], information theory [9]…”
On the Harary Energy and Harary Estrada Index of a Graph (2010, unknown): “i=1 ei , where λ1 ≥ λ2 ≥ · · · ≥ λn are the eigenvalues of the adjacency matrix A(G) of G (see [7, 8, 9, 10, 11, 12]).”