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Randic M, Balaban AT, Basak SC. On structural interpretation of several distance related topological indices. J Chem Inf Comput Sci. 2001;41(3):593-601doi: 10.1021/ci000105l.
Randic, M., Balaban, A. T., & Basak, S. C. (2001). On structural interpretation of several distance related topological indices. Journal of chemical information and computer sciences, 41(3), 593-601. https://doi.org/10.1021/ci000105l
Randic, M, et al. "On structural interpretation of several distance related topological indices." Journal of chemical information and computer sciences vol. 41,3 (2001): 593-601. doi: https://doi.org/10.1021/ci000105l
Randic M, Balaban AT, Basak SC. On structural interpretation of several distance related topological indices. J Chem Inf Comput Sci. 2001 May-Jun;41(3):593-601. doi: 10.1021/ci000105l. PMID: 11410034.
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J Chem Inf Comput Sci. 2001 May-Jun;41(3):593-601. doi: 10.1021/ci000105l.

On structural interpretation of several distance related topological indices.

Journal of chemical information and computer sciences

M Randic, A T Balaban, S C Basak

Affiliations

  1. Natural Resources Research Institute, University of Minnesota at Duluth, 5013 Miller Trunk Highway, Duluth, Minnesota 55811-1442, USA.

PMID: 11410034 DOI: 10.1021/ci000105l

Abstract

We consider the role that individual bonds play in bond-additivities in order to better understand the structural basis of various topological indices. In particular we consider indices closely related to the Wiener index (W) and the distance matrix and search for optimal weights of terminal and interior CC bonds in alkanes for a selection of physicochemical properties. It is interesting to note that different properties are associated with different relative roles of the exterior and the interior CC bonds.

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