Randić's molecular connectivity index
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 was introduced by Milan Randić in 1975.[1] It is often used in chemoinformatics for investigations of organic compounds.
Notes
- ^ Randić, M. (1975), "Characterization of molecular branching", Journal of the American Chemical Society 97 (23): 6609–6615, doi:10.1021/ja00856a001.
References
- Roberto Todeschini, Viviana Consonni (2009) "Molecular Descriptors for Chemoinformatics", Wiley-VCH, ISBN 978-3-527-31852-0
