The Comparison of Molecular Surfaces by
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PolaΕski, JarosΕaw ;Gasteiger, Johann ;Wagener, Markus ;Sadowski, Jens
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Article
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1998
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John Wiley and Sons
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English
β 342 KB
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Self-organizing Kohonen neural networks can be used to obtain quantitative structure-activity relationships. Simple molecules have been selected to discuss the essential features of the transformation. Descriptors calculated from maps obtained from comparative studies with template molecules applied