Xiaotao Shen1,2, Zheng-Jiang Zhu1. 1. Interdisciplinary Research Center on Biology and Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai, China. 2. Univeristy of Chinese Academy of Sciences, Beijing, China.
Abstract
SUMMARY: Mass spectrometry-based metabolomics aims to profile the metabolic changes in biological systems and identify differential metabolites related to physiological phenotypes and aberrant activities. However, many confounding factors during data acquisition complicate metabolomics data, which is characterized by high dimensionality, uncertain degrees of missing and zero values, nonlinearity, unwanted variations and non-normality. Therefore, prior to differential metabolite discovery analysis, various types of data cleaning such as batch alignment, missing value imputation, data normalization and scaling are essentially required for data post-processing. Here, we developed an interactive web server, namely, MetFlow, to provide an integrated and comprehensive workflow for metabolomics data cleaning and differential metabolite discovery. AVAILABILITY AND IMPLEMENTATION: The MetFlow is freely available on http://metflow.zhulab.cn/. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.
SUMMARY: Mass spectrometry-based metabolomics aims to profile the metabolic changes in biological systems and identify differential metabolites related to physiological phenotypes and aberrant activities. However, many confounding factors during data acquisition complicate metabolomics data, which is characterized by high dimensionality, uncertain degrees of missing and zero values, nonlinearity, unwanted variations and non-normality. Therefore, prior to differential metabolite discovery analysis, various types of data cleaning such as batch alignment, missing value imputation, data normalization and scaling are essentially required for data post-processing. Here, we developed an interactive web server, namely, MetFlow, to provide an integrated and comprehensive workflow for metabolomics data cleaning and differential metabolite discovery. AVAILABILITY AND IMPLEMENTATION: The MetFlow is freely available on http://metflow.zhulab.cn/. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.
Authors: E Diane Wallace; Daniel A Todd; James M Harnly; Nadja B Cech; Joshua J Kellogg Journal: Anal Bioanal Chem Date: 2020-04-29 Impact factor: 4.142
Authors: Fernando Perez-Sanz; Victoria Ruiz-Hernández; Marta I Terry; Sara Arce-Gallego; Julia Weiss; Pedro J Navarro; Marcos Egea-Cortines Journal: Metabolites Date: 2021-03-31