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References

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PETRA program package, Gasteiger, J., Marsili, M., Saller, H., Hutchings, M.G. and Fröhlich, A., 1995.

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Bauknecht, H., Zell, A., Bayer, H., Levi, P., Wagener, M., Sadowski, J. and Gasteiger, J., Locating biologically active compounds in medium-sized heterogeneous datasets by topological autocorrelation vectors: Dopamine and benzodiazepine agonists, J. Chem. Inf. Comput. Sci., 36 (1996) 1205-1213.

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Gasteiger, J., Li, X., Rudolph, C., J. Sadowski, J. and Zupan, J., Representation of molecular electrostatic potentials by topological feature maps, J. Am. Chem. Soc., 116 (1994) 4608-4620.

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Gasteiger, J., Li, X. and Uschold, A., The beauty of molecular surfaces as revealed by self-organizing neural networks, J. Mol. Graphics, 12 (1994) 90-97.

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Li, X., Gasteiger, J. and Zupan, J., On the topology distortion in self-organizing feature maps, Biol. Cybern., 70 (1993) 189-198.

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Gasteiger, J. and Li, X., Mapping the electrostatic potential of muscarinic and nicotinic agonists with artificial neural networks, Angew. Chem. Int. Ed. Engl., 33 (1994) 643-646; Angew. Chem., 106 (1994) 671-674.

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Anzali, S., Barnickel, G., Krug, M., Sadowski, J., Wagener, M., Gasteiger, J. and Polanski, J., The comparison of geometric and electronic properties of molecular surfaces by neural networks: Application to the analysis of corticosteroid binding globulin activity of steroids, J. Comput.-Aided Mol. Design, 10 (1996) 521-534.

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Polanski, J., Gasteiger, J. Wagener, M. and Sadowski, J., The comparison of molecular surfaces by neural networks and its application to quantitative structure activity studies, Quant. Struct. Act. Relat., in print.

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Holzgrabe, U. and Mohr, K., Allosteric modulators of ligand binding to muscarinic acetylcholine receptors, Drug Discovery, in print.

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Gasteiger, J., Holzgrabe, U., Kostenis, E., Mohr, K., Sürig, U.and Wagener, M., Variation of the oxime function of bispyridinium-type allosteric modulators of M2 – cholinoceptors, Pharmazie, 50 (1995) 99-105.

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Holzgrabe, U., Wagener, M. and Gasteiger. J., Comparision of structurally different allosteric modulators of muscarinic receptors by self-organizing neural networks, J. Mol. Graph., 14 (1996) 185-195.

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Barlow, T.W.J., Self-organizing maps and molecular similarity, J. Mol. Graph., 13 (1995) 24-27.

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Anzali, S., Barnickel, G., Krug, M., Sadowski, J., Wagener, M. and Gasteiger, J., Evaluation of molecular surface properties using a Kohonen neural network: Studies on structure-activity relationships, In Devillers, J. (Ed.) Neural Networks in QSAR and Drug Design, Academic Press, London, 1996, pp. 209-222.

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Polanski, J., Neural nets for the simulation of the molecular recognition with MS-WINDOWS environment, J. Chem. Inf. Comput. Sci., 36 (1996) 694-705.

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Polanski, J., Ratajczak, A., Gasteiger, J., Galdecki, Z. and Galdecka, E., Molecular modeling and X-ray analysis for a structure-taste study of a- Arylsulfonylalkanoic Acids, J. Mol. Struct.

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Sadowski, J., Wagener, M. and Gasteiger, J., Assessing similarity and diversity of combinatorial libraries by spatial autocorrelation functions and neural networks, Angew. Chem. Int. Ed. Engl., 34 (1995) 2674-2677; Angew. Chem., 107 (1995) 2892-2895.

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Johann.Gasteiger@chemie.uni-erlangen.de