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Chemical graph theory
Chemical graph theory is the topology branch of mathematical chemistry which applies graph theory to mathematical modelling of chemical phenomena.The…
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19 relations
Alexandru Balaban
Ante Graovac
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Cheminformatics
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Mathematical chemistry
Papers overview
Semantic Scholar uses AI to extract papers important to this topic.
2019
2019
Degree based graph invariants for the molecular graph of Bismuth TriIodide
Z. Shao
,
Abaid ur Rehman Virk
,
Muhammad Samar Javed
,
M. A. Rehman
,
Mohammad Reza
,
Farahani
2019
Corpus ID: 172130162
In the fields of chemical graph theory (CGT), mathematical chemistry and molecular topology, a topological index (TI) also known…
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2017
2017
Extremal unicyclic and bicyclic graphs with respect to the F-index
S. Akhter
,
M. Imran
,
M. Farahani
AKCE Int. J. Graphs Comb.
2017
Corpus ID: 125248561
Highly Cited
2013
Highly Cited
2013
Chemical Graph Theory
Ernesto Estrada
,
D. Bonchev
2013
Corpus ID: 62774777
This chapter on chemical graph theory forms part of the natural science and processes section of the handbook
Highly Cited
2010
Highly Cited
2010
The Zagreb coindices of graph operations
A. Ashrafi
,
T. Došlić
,
A. Hamzeh
Discret. Appl. Math.
2010
Corpus ID: 6504749
2007
2007
Energies of some Non-regular Graphs
G. Indulal
,
A. Vijayakumar
2007
Corpus ID: 54733717
The energy of a graph G is the sum of the absolute values of its eigenvalues. In this paper, we study the energies of some…
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2004
2004
Qspr Modeling of the Octanol/Water Partition Coefficient of Alcohols by Means of Optimization of Correlation Weights of Local Graph Invariants
Toropov
,
Nesterova
,
Nabiev
2004
Corpus ID: 9097169
A particular approach based on the concept of flexible topological descriptors,the so called “Optimization of Correlation Weights…
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Highly Cited
2003
Highly Cited
2003
Handbook of graph theory
J. Gross
Discrete mathematics and its applications
2003
Corpus ID: 34005336
Introduction to Graphs Fundamentals of Graph Theory, Jonathan L. Gross and Jay Yellen Families of Graphs and Digraphs, Lowell W…
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2001
2001
TORANES VERSUS TORENES
M. Diudea
,
I. Silaghi-Dumitrescu
,
B. Pârv
2001
Corpus ID: 13485789
Construction of polyhex and other tiled tori starting from square-like tori is presented. Leapfrog transformation of both linear…
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Highly Cited
1997
Highly Cited
1997
The Wiener Index and the Szeged Index of Benzenoid Systems in Linear Time
V. Chepoi
,
S. Klavžar
J. Chem. Inf. Comput. Sci.
1997
Corpus ID: 13089599
A linear time algorithm is presented which, for a given benzenoid system G, computes the Wiener index of G. The algorithm is…
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1991
1991
Computational Chemical Graph Theory: Characterization, Enumeration and Generation of Chemical Structures by Computer Methods
N. Trinajstic
,
J. V. Knop
,
W. Müller
,
K. Syzmanski
,
S. Nikolic
1991
Corpus ID: 117391348
Graph-theoretical concepts and definitions molecular codes enumeration and isomeric acyclic structures enumeration of polyhex…
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