CCRC NET 1H NMR SPECTRAL DATABASE OF N LINKED OLIGOSACCHARIDES

今年CCRC网增加了第六个数据库，以增加 碳水化合物结构分析和鉴定的资源 由中国证监会网站提供。这是开发的第二个数据库 对于N-连接的低聚糖。基于神经网络的搜索引擎 已使用以下工具成功地培训和开发了该数据库 真实光谱，是一个比我们以前更强大的搜索引擎 使用以前的。我们的实验建立了一种方法论 更强大的搜索引擎表明，每个频谱都有多个频谱 在人工神经网络的训练过程中需要结构 (ANS)。我们对23种结构中的每一种至少使用了三个光谱 训练保姆。我们发现这个引擎报告了一个假阳性 比我们的N-Links标准引擎频率低得多 低聚糖。这台新发动机还能承受额外的10%。 信噪比降低。

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.