Self-Organizing Neural Networks for Screening and Development of Novel Artificial Sweetener Candidates

Authors: Polanski J.; Gasteiger J.; Jarzembek K.

Source: Combinatorial Chemistry & High Throughput Screening, Volume 3, Number 6, December 2000 , pp. 481-495(15)

Publisher: Bentham Science Publishers

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Abstract:

The use of Kohonen feature maps for the visualization of various aspects of molecular similarity is briefly reviewed and illustrated. It is shown that a specific feature of self-organizing maps (SOM) makes them of special interest for the screening of compounds. In particular, these methods were used to design candidates for new sweeteners, which were then synthesized.

Keywords: Self Organisation Neural Networks; Molecular representation; Kohonen transformation; 3D QSAR equation; Screening Tool; Kohonen Maps; Molecular Atomic Represantation; Xanthene and cubane; Sweetener Molecules; Endothelien antagonist

Language: English

Document Type: Review article

DOI: 10.2174/1386207003331427

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