The Randić index, also known as the connectivity index, of a
graph 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 discr ...
was introduced by
Milan Randić
Milan Randić (born 1 October 1930) is a Croatian American scientist who is 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 from Kostr ...
in 1975.
[.] It is often used in
chemoinformatics
Cheminformatics (also known as chemoinformatics) refers to 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 proble ...
for investigations of
organic compound
In chemistry, organic compounds are generally any chemical compounds that contain carbon-hydrogen or carbon-carbon bonds. Due to carbon's ability to catenate (form chains with other carbon atoms), millions of organic compounds are known. The ...
s.
Notes
References
*
Roberto Todeschini,
Viviana Consonni (2009) "Molecular Descriptors for Chemoinformatics", ''
Wiley-VCH'',
*.
Graph invariants
Mathematical chemistry
Cheminformatics
de:Randić-Index
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