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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

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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

https://hrcak.srce.hr/177299

Publication date:

25.7.1986.

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