A new approach for devising local graph invariants: Derived topological indices with low degeneracy and good correlation ability

1987 ◽  
Vol 1 (1) ◽  
pp. 61-83 ◽  
Author(s):  
P. A. Filip ◽  
T. -S. Balaban ◽  
A. T. Balaban
Keyword(s):  
Topological Indices ◽  
Graph Invariants ◽  
New Approach ◽  
Local Graph

scholarly journals Topological Indices of Para-line Graphs of V-Phenylenic Nanostructures

2019 ◽  
Vol 17 (1) ◽  
pp. 260-266 ◽  
Author(s):  
Imran Nadeem ◽  
Hani Shaker ◽  
Muhammad Hussain ◽  
Asim Naseem
Keyword(s):  
Chemical Properties ◽  
Topological Indices ◽  
Structural Chemistry ◽  
Line Graphs ◽  
Physical And Chemical Properties ◽  
Graph Invariants ◽  
Molecular Graphs ◽  
Physical And Chemical ◽  
And Chemical Properties

Abstract The degree-based topological indices are numerical graph invariants which are used to correlate the physical and chemical properties of a molecule with its structure. Para-line graphs are used to represent the structures of molecules in another way and these representations are important in structural chemistry. In this article, we study certain well-known degree-based topological indices for the para-line graphs of V-Phenylenic 2D lattice, V-Phenylenic nanotube and nanotorus by using the symmetries of their molecular graphs.

Modeling of lipophilicity by means of correlation weighting of local graph invariants

2001 ◽  
Vol 538 (1-3) ◽  
pp. 197-199 ◽  
Author(s):  
A.A. Toropov ◽  
A.P. Toropova
Keyword(s):  
Graph Invariants ◽  
Local Graph

Correlations using topological indices based on real graph invariants

1992 ◽  
Vol 89 ◽  
pp. 1735-1745 ◽  
Author(s):  
AT Balaban ◽  
TS Balaban
Keyword(s):  
Topological Indices ◽  
Graph Invariants

scholarly journals Improved Molecular Descriptors Based on the Optimization of Correlation Weights of Local Graph Invariants

2001 ◽  
Vol 2 (2) ◽  
pp. 57-65 ◽  
Author(s):  
Germán Krenkel ◽  
Eduardo Castro ◽  
Andrey Toropov
Keyword(s):  
Molecular Descriptors ◽  
Graph Invariants ◽  
Local Graph ◽  
Correlation Weights

scholarly journals On Realization and Characterization of Topological Indices

2019 ◽  
Vol 9 (1) ◽  
pp. 715-718
Keyword(s):  
Topological Index ◽  
Fixed Number ◽  
Topological Indices ◽  
Molecular Structures ◽  
Real Numbers ◽  
Graph Invariants ◽  
Chemical Graph ◽  
Zagreb Indices ◽  
Chemical Graph Theory

In chemical graph theory, topological index is one of the graph invariants which is a fixed number based on structure of a graph. Topological index is used as one of the tool to analyze molecular structures and for proper and optimal design of nanostructure. In this paper we realize the real numbers that are topological indices such as Zagreb indices, Randic index, NK-index, multiplicative F-index and multiplicative Zagreb indices along with some characterizations.

QSPR Modeling of Hydrocarbon Dipole Moments by Means of Correlation Weighting of Local Graph Invariants

2003 ◽  
Vol 02 (02) ◽  
pp. 139-146 ◽  
Author(s):  
Andrey A. Toropov ◽  
Ozod M. Nabiev ◽  
Pablo Duchowicz ◽  
Eduardo A. Castro ◽  
Francisco Torrens
Keyword(s):  
Path Length ◽  
Dipole Moments ◽  
Valence Shell ◽  
Graph Invariants ◽  
Topological Descriptor ◽  
Qspr Modeling ◽  
Local Invariants ◽  
Local Graph ◽  
Extended Connectivity

Hydrocarbon dipole moments are calculated by means of correlation weighting of local graph invariants within the context of QSPR theory. This sort of flexible topological descriptor is used for several parameters: local invariants of k th vertex in the labeled hydrogen filled graph extended connectivity of zero-, first- and second-orders, number of paths of length 2 at k th vertex and valence shell of the k th vertex. The models predict hydrocarbon dipole moments in a quite sensible way. The best model is that one based upon numbers of path length 2 correlation weighting.

scholarly journals Structure–Toxicity Relationships for Aliphatic Compounds Based on Correlation Weighting of Local Graph Invariants

2003 ◽  
Vol 4 (5) ◽  
pp. 272-283 ◽  
Author(s):  
Andrey Toropov ◽  
Pablo Duchowicz ◽  
Eduardo Castro
Keyword(s):  
Graph Invariants ◽  
Aliphatic Compounds ◽  
Local Graph
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