engleski

The detour matrix and the detour index

Detour matrix is a novel matrix in chemistry. Here this matrix is defined in two ways depending on how one defines its diagonal elements. The definition of the distance matrix is also given. A brief survey of methods for computing the detour matrix is presented. The invariants of the detour matrix: the detour polynomial, the detour spectrum and the detour index are defined and their properties listed. Examples of graphs with identical detour matrices and/or detour indices are shown. The use of the detour index in the structure-property modeling is discussed. It is shown that the detour index in combination with the Wiener index is very efficient in the structure-boiling point modeling of acyclic and cyclic saturated hydro­ carbons.

detour matrix ; detour polynomial ; detour spectrum ; detour index

nije evidentirano