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Topological Indices: Their Nature and Mutual Relatedness
Journal of Chemical Information and Computer Sciences, 2000We calculated 202 molecular descriptors (topological indices, TIs) for two chemical databases (a set of 139 hydrocarbons and another set of 1037 diverse chemicals). Variable cluster analysis of these TIs grouped these structures into 14 clusters for the first set and 18 clusters for the second set.
Subhash C. Basak +3 more
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On Interpretation of Well-Known Topological Indices
Journal of Chemical Information and Computer Sciences, 2001Many topological indices lack an interpretation in terms of simple physicochemical quantities. We have reexamined the structural interpretation of well-known topological indices: the connectivity index (1)chi, the Wiener index W, and the Hosoya topological index Z.
Milan Randic, Jure Zupan
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On Topological Indices of Graph Transformation
International Journal of Applied and Computational Mathematics, 2016zbMATH Open Web Interface contents unavailable due to conflicting licenses.
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More on Topological Indices and Their Reciprocals
MATCH – Communications in Mathematical and in Computer ChemistrySummary: We show how Schwitzer inequality allows us to find inequalities relating an additive descriptor of the form \(D_p(G)=\sum_{i=1}^N c_i^p\) to its reciprocal \(D_{-p}(G)=\sum_{i=1}^N c_i^{-p}\). We look at three cases (the inverse degree, the Kirchhoff, and the multiplicative degree-Kirchhoff indices) where \(p=1\) and where, of the two \(D_1(G)\
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Generalization of topological indices
Chemical Physics Letters, 2001A generalized (molecular) graph-theoretical matrix is introduced in such a way that the adjacency and distance matrices of (molecular) graphs are particular cases of it. By using this matrix, two new molecular graph-theoretical vectors and a vector–matrix–vector multiplication procedure, a generalized invariant is introduced.
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Graph entropies of porous graphene using topological indices
Computational and Theoretical Chemistry, 2021M C Shanmukha, A Usha
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Resolving topological indices of graphs
2022Sooryanarayana, Badekara +3 more
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M-polynomials and degree-based topological indices of tadpole graph
Journal of Discrete Mathematical Sciences and Cryptography, 2021Faryal Chaudhry +2 more
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