Testing the quality of molecular structure descriptors. Vertex-degree-based topological indices
Copyright policy )MESTD| Graph theory and mathematical programming with applications in chemistry and computer science
Gutman, Ivan; Tošović, Jelena;
Testing the quality of molecular structure descriptors. Vertex-degree-based topological indices
The correlation ability of 20 vertex-degree-based topological indices, occurring in the chemical literature, is tested for the case of standard heats of formation and normal boiling points of octane isomers. It is found that the correlation ability of many of these indices is either rather weak or nil. The augmented Zagreb index and the atom-bond connectivity index yield the best results.
- University of Kragujevac Serbia
Chemistry, chemical graph theory, molecular structure descriptor, topological index, vertex-degree-based topological index, molecular graph, QD1-999
Chemistry, chemical graph theory, molecular structure descriptor, topological index, vertex-degree-based topological index, molecular graph, QD1-999
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selected citations
Citations provided by BIP!
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
Citations provided by BIP!popularityPopularity provided by BIP!
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
Popularity provided by BIP! 110
Top 1%
Top 10%
Top 10%
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Published in a Diamond OA journal
