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Prof. J. Gasteiger, Dr. L. Chen
Computer-Chemie-Centrum
Institut für Organische Chemie der Universität Erlangen-Nürnberg
Nägelsbachstraße 25, D-91052 Erlangen (Germany)
Fax: Int.code + (9131)85-6566
e-mail: gasteiger@eros.ccc.uni-erlangen.de

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This work was supported by the Alexander- von- Humboldt-Stiftung (scholarship to L.C.). We thank MDL Information Systems providing us with ISIS Host and, together with Fachinformationszentrum Chemie, Berlin, for giving access to the ChemInform-RX reaction data base.

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ISIS Host is available from MDL Information Systems, Inc., San Leandro, CA, USA.

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a) A. Parlow, C. Weiske, J. Gasteiger, J. Chem. Inf. Comput. Sci. 1990, 30, 400-402; b) ChemInform-RX data base: Produced by Fachinformationszentrum Chemie, Berlin, Germany, available from MDL Information Systems Inc., San Leandro, CA, USA.

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G. Griffiths, H. Mettler, L. S. Mills, F. Previdoli, Helv. Chim. Acta 1991, 74, 309-314.

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Johann.Gasteiger@chemie.uni-erlangen.de