Croatica Chemica Acta, Vol. 67 No. 4, 1994.
Original scientific paper
Hosoya Matrix - A Source of New Molecular Descriptors
Milan Randić
; Department of Mathematics and Computer Science, Drake University, Des Moines, Iowa 50311, USA
Abstract
We introduce a novel matrix associated with molecular graphs, the construction of which is related to the construction of the Hosoya Z topological index. The new matrix provides a source of novel invariants that may be of interest in structure-property and structure-activity studies. Construction of the novel matrices is outlined and a few novel invariants extracted. A comparison with closely related topological indices is illustrated on regressions with the boiling points in octanes.
Keywords
Hrčak ID:
136764
URI
Publication date:
1.12.1994.
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