The connectivity index 25 years after
M Randić - Journal of Molecular Graphics and Modelling, 2001 - Elsevier
We review the developments following introduction of the connectivity indices as molecular
descriptors in multiple linear regression analysis (MLRA) for structure–property–activity …
descriptors in multiple linear regression analysis (MLRA) for structure–property–activity …
[图书][B] Graph-theoretical matrices in chemistry
Divided into five sections, this book offers 200 graph-theoretical matrices covering
adjacency and related matrices, distance and related matrices, incidence matrices, and …
adjacency and related matrices, distance and related matrices, incidence matrices, and …
[HTML][HTML] 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 eigenvalues of distance-related chemical matrices …
distance descriptors which are based on eigenvalues of distance-related chemical matrices …
Wiener-type topological indices
MV Diudea, I Gutman - Croatica chemica acta, 1998 - hrcak.srce.hr
Sažetak A unified approach to the Wiener topological index and its various recent
modifications, is presented. Among these modifications particular attention is paid to the …
modifications, is presented. Among these modifications particular attention is paid to the …
[PDF][PDF] The Szeged index—a success story
I Gutman, AA Dobrynin - Graph Theory Notes NY, 1998 - researchgate.net
In 1994, in the 27th issue of the Graph Theory Notes of New York a paper [1] was published,
in which a novel distance–based graph invariant–eventually named the Szeged index and …
in which a novel distance–based graph invariant–eventually named the Szeged index and …
QSAR comparative study of Wiener descriptors for weighted molecular graphs
O Ivanciuc - Journal of chemical information and computer …, 2000 - ACS Publications
Quantitative structure− property relationship (QSPR) and quantitative structure− activity
relationship (QSAR) studies use statistical models to compute physical, chemical, or …
relationship (QSAR) studies use statistical models to compute physical, chemical, or …
A computer-based method to determine predictive potential of distance-spectral descriptors for measuring the π-electronic energy of benzenoid hydrocarbons with …
Graph signal processing deals with signals whose domain, defined by a graph, is irregular.
The total-electron energy or simply the-electronic energy, as calculated within the Hückel …
The total-electron energy or simply the-electronic energy, as calculated within the Hückel …
Topological indices: their nature and mutual relatedness
We calculated 202 molecular descriptors (topological indices, TIs) for two chemical
databases (a set of 139 hydrocarbons and another set of 1037 diverse chemicals). Variable …
databases (a set of 139 hydrocarbons and another set of 1037 diverse chemicals). Variable …
Indices of reciprocal properties or Harary indices
MV Diudea - Journal of chemical information and computer …, 1997 - ACS Publications
Reciprocal topological properties are used for building up novel indices referred to as
Harary indices. They are defined by the aid of matrix algebra and examplified on appropriate …
Harary indices. They are defined by the aid of matrix algebra and examplified on appropriate …
[PDF][PDF] Some bounds on GA1 index of graphs
M Mogharrab, GH Fath-Tabar - MATCH Commun. Math. Comput …, 2011 - academia.edu
Some Bounds on GA1 Index of Graphs Page 1 Some Bounds on GA1 Index of Graphs M.
Mogharrab and GH Fath-Tabar Department of Mathematics, Faculty of science, University of …
Mogharrab and GH Fath-Tabar Department of Mathematics, Faculty of science, University of …