The Randić index, also known as the connectivity index, of a
graph
Graph may refer to:
Mathematics
*Graph (discrete mathematics), a structure made of vertices and edges
**Graph theory, the study of such graphs and their properties
*Graph (topology), a topological space resembling a graph in the sense of discret ...
is the sum of bond contributions
where
and
are
the degrees of the vertices making bond ''i'' ~ ''j''.
History
This
graph invariant
Graph may refer to:
Mathematics
*Graph (discrete mathematics), a structure made of vertices and edges
**Graph theory, the study of such graphs and their properties
* Graph (topology), a topological space resembling a graph in the sense of discre ...
was introduced by
Milan Randić
Milan Randić (born 1 October 1930) is a Croatian American scientist recognized as one of the leading experts in the field of computational chemistry.
Birth and education
Randić was born in the city of Belgrade, where his parents, originally fr ...
in 1975.
[.] It is often used in
chemoinformatics
Cheminformatics (also known as chemoinformatics) refers to the use of physical chemistry theory with computer and information science techniques—so called "''in silico''" techniques—in application to a range of descriptive and prescriptive pr ...
for investigations of
organic compound
Some chemical authorities define an organic compound as a chemical compound that contains a carbon–hydrogen or carbon–carbon bond; others consider an organic compound to be any chemical compound that contains carbon. For example, carbon-co ...
s.
Notes
References
*
Roberto Todeschini,
Viviana Consonni (2009) "Molecular Descriptors for Chemoinformatics", ''
Wiley-VCH
Wiley-VCH is a German publisher owned by John Wiley & Sons. It was founded in 1921 as Verlag Chemie (meaning "Chemistry Press": VCH stands for ''Verlag Chemie'') by two German learned societies
A learned society ( ; also scholarly, intellect ...
'',
*.
Graph invariants
Mathematical chemistry
Cheminformatics
de:Randić-Index
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