论文信息 - Elucidating chemical reactivity by pattern recognition methods

Elucidating chemical reactivity by pattern recognition methods

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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