CCRC NET 1H NMR SPECTRAL DATABASE OF N LINKED OLIGOSACCHARIDES

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A sixth database was added to the CCRC-Net this year to increase the resources for carbohydrate structural analysis and identification provided by the CCRC Web site. This is the second database developed for N-linked oligosaccharides. The neural network-based search engine created for this database was successfully trained and developed using real spectra and is a far more robust search engine than we had been using previously. Our experiments to establish a methodology for a more robust search engine indicated that multiple spectra for each structure are needed during training of the artificial neural networks (ANNs). We used at least three spectra for each of 23 structures for training the ANNs. We found that this engine reports a false-positive much less frequently than our standard engine for N-linked oligosaccharides. The new engine can also tolerate an additional 10% decrease in the signal-to-noise ratio.