Croatica Chemica Acta, Vol. 59 No. 3, 1986.
Original scientific paper
Molecular ID Numbers
Klaus Szymanski
; Computing Centre, The University of Dulsseldorf, 4000 Dusseldorf, Federal Republic of Germany
Wolfgang R. Muller
; Computing Centre, The University of Dulsseldorf, 4000 Dusseldorf, Federal Republic of Germany
Jan V. Knop
; Computing Centre, The University of Dulsseldorf, 4000 Dusseldorf, Federal Republic of Germany
Nenad Trinajstić
; The Rugjer Bošković Institute, P.O.B. 1016, 41001Zagreb, Croatia, Yugoslavia
Abstract
A search for counterexamples of Randić's prime molecular ID-numbers for alkane-trees with up to 20 carbon atoms produced only one pair of non-isomorphic trees with the same prime ID- number. Thus, it is shown that the prime ID-number, although a highly discriminating molecular descriptor, is not unique.
Keywords
Hrčak ID:
177299
URI
Publication date:
25.7.1986.
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