Randić's molecular connectivity index
From HandWiki
The Randić index, also known as the connectivity index, of a graph is the sum of bond contributions [math]\displaystyle{ 1/(d_i d_j)^{1/2} }[/math] where [math]\displaystyle{ d_i }[/math] and [math]\displaystyle{ d_j }[/math] 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
- Li, Xueliang; Shi, Yongtang (2008), "A survey on the Randić index", MATCH Communications in Mathematical and in Computer Chemistry 59 (1): 127–156.
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