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CORA - Classification of Organic Reactions for Applications | |
Description Reaction databases provide a rich
source of information on organic reactions. A
combination of a Bayes classifier with a
self-organizing neural network is used to group
individual reactions into reaction types on the basis
of physicochemical description of the reaction center.
This allows to detect and visualize the important
characteristics - and the driving forces - of a class
of reactions. Publications L. Chen, J. Gasteiger L. Chen, J. Gasteiger, H. Satoh, O. Sacher, T. Nakata, L.
Chen, J. Gasteiger, K. Funatsu Contact |
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