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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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Related topics

Related topics

19 relations
Alexandru BalabanAnte GraovacCaterpillar treeCheminformatics

Broader (1)

Mathematical chemistry

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2018
2018
Vertex-based and edge-based centroids of graphs
2017
2017
F-index of bridge and chain graphs
The F-index or “Forgotten topological index” of a molecular graph is defined as the sum of cubes of degrees of all the vertices… 
2017
2017
The Extremal Values and Rankings of the Gutman Index of k-Caterpillar
In this paper, based on the conception of the Gutman index of graphs, we proposed the degree-distance of a graph to a vertex and… 
2014
2014
The Second Minimum of the Irregularity of Graphs
2013
2013
ON THE FOURTH ATOM-BOND CONNECTIVITY INDEX OF ARMCHAIR POLYHEX NANOTUBES
G u v v N u S d ∈ =� and NG(u)={v ∈V(G)|uvE(G)}. In this paper, formula for calculating the above topological descriptor in… 
2009
2009
PI, Szeged and Edge Szeged Polynomials of a Dendrimer Nanostar
A topological index of a graph G is a numeric quantity related to G which is describe molecular graph G. A dendrimer is an… 
2007
2007
Maximum Randić index on Trees with k-pendant Vertices
The Randić index of an organic molecule whose molecular graph is G is the sum of the weights (d(u)d(v))−1/2 of all edges uv of G… 
2004
2004
Qspr Modeling of the Octanol/Water Partition Coefficient of Alcohols by Means of Optimization of Correlation Weights of Local Graph Invariants
A particular approach based on the concept of flexible topological descriptors,the so called “Optimization of Correlation Weights… 
2004
2004
Modeling with Indices Obtained from Complete Graphs * Lionello Pogliani
Modeling quality of two different algorithms for the v number, the main parameter for many molecular connectivity indices, has… 
2001
2001
TORANES VERSUS TORENES
Construction of polyhex and other tiled tori starting from square-like tori is presented. Leapfrog transformation of both linear… 
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