Elucidating chemical reactivity by pattern recognition methods |
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| Authors: | J Gasteiger H Saller P Löw |
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| Institution: | Organisch-chemisches Institut, Technische Universität München, D-8046 Garching Federal Republic of Germany |
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| Abstract: | Methods have been developed that allow important chemical effects to be quantified. Parameters calculated with these procedures can be used to investigate both quantitative and qualitative information on chemical reactivity. A variety of statistical and pattern recognition methods is used for that purpose. These studies lead to reactivity functions that allow the prediction of the course of complex organic reactions. |
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