THE ANALYTICAL GLYCOMICS PORTAL

这个子项目是利用资源的许多研究子项目之一。 由NIH/NCRR资助的中心拨款提供。对子项目的主要支持 子项目的首席调查员可能是由其他来源提供的， 包括美国国立卫生研究院的其他来源。为子项目列出的总成本可能 表示该子项目使用的中心基础设施的估计数量， 不是由NCRR赠款提供给次级项目或次级项目工作人员的直接资金。 我们正在开发的分析糖链工具被设计为数据处理模块的编排集合。这种方法使我们能够跟上糖组分分析(特别是质谱学)方法开发的快速步伐。通常，新的分析方法涉及使用与以前方法相同的硬件和以相同的数字格式产生数据。我们处理这些数据的模块化方法允许以前开发的数据格式转换、相关光谱特征识别等工具在生成包含附加信息的数据的新实验协议的背景下重复使用。通常需要开发新的算法来提取这些新信息，这些信息可能会以一种新的方式进行编码。然而，如果新的算法能够与之集成，那么大部分数据处理工作流都可以重复使用。我们的模块旨在通过以定义良好的格式传递数据来无缝地结合在一起，这些格式可以使用语义注释轻松地进行解析和解释。为了实现处理糖组数据的真正集成的模块化方法的目标，我们已经启动了糖组学门户的建设，该门户将服务于几个目的：(1)作为关于分析糖组分方法的信息储存库；(2)为用户提供用于糖组分数据处理的交互模块(可能由我们或整个糖组学社区提供)；(3)提供用于编排数据处理模块的技术(例如，用于集成Web服务的工作流引擎和系统)，以形成可执行的工作流；(4)提供可用的工作流实例；(5)为软件模块之间的数据交换提供标准的数据表示格式和词汇控制资源；(6)提供讨论数据处理问题的论坛，包括错误报告、要求新的数据处理模块、有效使用数据处理软件的提示以及分析糖组学方法的新想法。

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. The analytical glycomics tools we are developing are designed to function as orchestrated collections of data processing modules. This approach allows us to keep up with the rapid pace at which analytical (especially mass spectral) approaches are being developed for glycomics. Oftentimes, new analytical methodology involves using the same hardware and produces data in the same digital format as previous methods. Our modular approach to processing this data allows previously developed tools for data format conversion, identification of relevant spectral features, etc. to be reused in the context of new experimental protocols that generate data containing additional information. It is often necessary to develop new algorithms to extract this new information, which is likely to be encoded in a novel way. However, much of the data processing workflow can be reused if the new algorithms can be integrated with it. Our modules are designed to fit together seamlessly by passing data in well-defined formats that can be easily parsed and interpreted using semantic annotation. To reach our goal of a truly integrated modular approach for processing glycomics data, we have initiated the construction of a glycomics portal that will serve several purposes: (1) act as a repository of information regarding analytical glycomics methodology; (2) provide users with interactive modules (which may be supplied by us or the glycomics community at large) for glycomics data processing; (3) provide access to technology (such as workflow engines and systems for integrating web service) for orchestrating data processing modules to form executable workflows; (4) provide examples of usable workflows; (5) provide standard data representation formats and vocabulary control resources for exchange of data among software modules; (6) provide a forum for the discussion of data processing issues, including bug reports, requests for new data processing modules, hints for effective use of the data processing software, and new ideas for analytical glycomics methods.