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The Coding of the Three-Dimensional Structure of Molecules by Molecular Transforms and Its Application to Structure-Spectra Correlations and Studies of Biological Activity

✍ Scribed by Schuur, J.H.; Selzer, P.; Gasteiger, J.


Book ID
120662384
Publisher
American Chemical Society
Year
1996
Tongue
English
Weight
394 KB
Volume
36
Category
Article
ISSN
0095-2338

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Self-organizing Kohonen neural networks can be used to obtain quantitative structure-activity relationships. Simple molecules have been selected to discuss the essential features of the transformation. Descriptors calculated from maps obtained from comparative studies with template molecules applied