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Original Articles

Molecular Graph Matrices and Derived Structural Descriptors

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Pages 63-87 | Received 13 Mar 1997, Accepted 16 Jul 1997, Published online: 05 Oct 2006
 

Abstract

A number of recently graph matrices encoding in various ways the topological information is presented. Four graph operators are used to compute 19 topological indices for a set of 306 alkanes. The intercorrelation coefficients of the 19 topological indices are computed and used to identify highly intercorrelated indices.

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