Advanced Multidimensional Separations in Mass Spectrometry: Navigating the Big Data Deluge.

Advanced Multidimensional Separations in Mass Spectrometry: Navigating the Big Data Deluge.
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DOI:
10.1146/annurev-anchem-071015-041734
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发表时间:
2016-06-12
期刊:
Annual review of analytical chemistry (Palo Alto, Calif.)
影响因子:
--
通讯作者:
McLean JA
McLean JA
中科院分区:
其他
文献类型:
--
作者:
May JC;McLean JA

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围绕质谱学(MS)构建的混合分析仪器正在成为解决科学和医学中许多重大挑战的首选技术。从组学科学到药物发现和合成生物学,基于MS的多维分离提供了获得用于推断系统级信息的大规模测量所需的高峰容量和高测量吞吐量。在这篇综述中,我们将多维MS配置描述为大数据驱动的技术,并讨论从大规模数据集中挖掘信息的一些新的和新兴的策略。讨论了可以从各个维度获得的信息内容,以及可以通过比较不同级别的数据得出的独特信息。最后,我们讨论了一些新兴的数据可视化策略,这些策略寻求使高维数据集既可访问又可理解。
Hybrid analytical instrumentation constructed around mass spectrometry (MS) are becoming preferred techniques for addressing many grand challenges in science and medicine. From the omics sciences to drug discovery and synthetic biology, multidimensional separations based on MS provide the high peak capacity and high measurement throughput necessary to obtain large-scale measurements which are used to infer systems-level information. In this review, we describe multidimensional MS configurations as technologies which are big data drivers and discuss some new and emerging strategies for mining information from large-scale datasets. A discussion is included on the information content which can be obtained from individual dimensions, as well as the unique information which can be derived by comparing different levels of data. Finally, we discuss some emerging data visualization strategies which seek to make highly dimensional datasets both accessible and comprehensible.
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