基于质谱的代谢组学数据融合

Fusion of mass spectrometry-based metabolomics data.

作者信息

Smilde Age K, van der Werf Mariët J, Bijlsma Sabina, van der Werff-van der Vat Bianca J C, Jellema Renger H

机构信息

TNO Quality of Life, P. O. Box 360, 3700 AJ Zeist, The Netherlands.

出版信息

Anal Chem. 2005 Oct 15;77(20):6729-36. doi: 10.1021/ac051080y.

DOI:10.1021/ac051080y

PMID:16223263

Abstract

A general method is presented for combining mass spectrometry-based metabolomics data. Such data are becoming more and more abundant, and proper tools for fusing these types of data sets are needed. Fusion of metabolomics data leads to a comprehensive view on the metabolome of an organism or biological system. The ideas presented draw upon established techniques in data analysis. Hence, they are also widely applicable to other types of X-omics data provided there is a proper pretreatment of the data. These issues are discussed using a real-life metabolomics data set from a microbial fermentation process.

摘要

本文提出了一种基于质谱的代谢组学数据合并的通用方法。这类数据正变得越来越丰富，因此需要合适的工具来融合这些数据集。代谢组学数据的融合能够全面了解生物体或生物系统的代谢组。本文提出的思路借鉴了数据分析中的成熟技术。因此，只要对数据进行适当的预处理，这些思路也广泛适用于其他类型的“X组学”数据。我们使用来自微生物发酵过程的实际代谢组学数据集对这些问题进行了讨论。