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Assessing Similarity and Diversity of Combinatorial Libraries by Spatial Autocorrelation Functions and Neural Networks
Author(s) -
Sadowski Jens,
Wagener Markus,
Gasteiger Johann
Publication year - 1996
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.199526741
Subject(s) - self organizing map , similarity (geometry) , artificial neural network , autocorrelation , pattern recognition (psychology) , computer science , artificial intelligence , spatial analysis , data mining , mathematics , image (mathematics) , statistics
Kohonen neural networks have been used to show that the combinatorial libraries derived from 1 and 2 are very similar, whereas those obtained with 3 are distinctly different. The depicted Kohonen map indicates that the libraries from 1 and 2 are so similar that they need not both be synthesized for screening. R 1 R 4 : one of 18 possible amino acid residues.