Self-organizing neural network

Previous work in our group had shown the power of self-organizing neural networks for the projection of high-dimensional datasets into two dimensions while preserving clusters present in the high-dimensional space even after projection [27]. In effect, 2D maps of the high-dimensional data are obtained that can show clusters of similar objects. 

Tools SONNIA [12] (Self-Organizing Neural Network for Information Analysis)... 

SONNIA is a self-organizing neural network for data analysis and visualization. 

SONNIA (Self Organizing Neural Network for Information Analysis), http //uww2.chende.uni-eTiangen.de/ softwarefkmap/ and http //www.mol-net.de/... 

Figure 10.1-4. Distribution of compounds from two data sets in the same KNN (Kohonen s self-organizing neural network) map by using 18 topological descriptors as input descriptors, where 1 represents the 1588 compounds in the Merck data set (excluding those compounds that are also in the Huuskonen data set) 2 represents the 799 compounds in the Huuskonen data set (excluding those compounds that are also in the Merck data set), and 3 represents the overlapping part of the Huuskonen data set and the Merck data set.

Til most cases, only one of the two regioisomers is preferentially formed. Wc will show here how reaction classification by a self-organizing neural network can be used for the prediction of the preferred regioisomer in a pyrazole synthesis. 

More elaborate scheme.s can he envisaged. Thus, a. self-organizing neural network as obtained by the classification of a set of chemical reactions as outlined in Section 3,5 can be interfaced with the EROS system to select the reaction that acmaliy occurs from among various reaction alternatives. In this way, knowledge extracted from rcaetion databases can be interfaced with a reaction prediction system,... 

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