SMART: Statistical Metabolomics Analysis-An R Tool. Anal Chem 2016 Jun 21;88(12):6334-41
Date
06/02/2016Pubmed ID
27248514DOI
10.1021/acs.analchem.6b00603Scopus ID
2-s2.0-84975883580 (requires institutional sign-in at Scopus site) 22 CitationsAbstract
Metabolomics data provide unprecedented opportunities to decipher metabolic mechanisms by analyzing hundreds to thousands of metabolites. Data quality concerns and complex batch effects in metabolomics must be appropriately addressed through statistical analysis. This study developed an integrated analysis tool for metabolomics studies to streamline the complete analysis flow from initial data preprocessing to downstream association analysis. We developed Statistical Metabolomics Analysis-An R Tool (SMART), which can analyze input files with different formats, visually represent various types of data features, implement peak alignment and annotation, conduct quality control for samples and peaks, explore batch effects, and perform association analysis. A pharmacometabolomics study of antihypertensive medication was conducted and data were analyzed using SMART. Neuromedin N was identified as a metabolite significantly associated with angiotensin-converting-enzyme inhibitors in our metabolome-wide association analysis (p = 1.56 × 10(-4) in an analysis of covariance (ANCOVA) with an adjustment for unknown latent groups and p = 1.02 × 10(-4) in an ANCOVA with an adjustment for hidden substructures). This endogenous neuropeptide is highly related to neurotensin and neuromedin U, which are involved in blood pressure regulation and smooth muscle contraction. The SMART software, a user guide, and example data can be downloaded from http://www.stat.sinica.edu.tw/hsinchou/metabolomics/SMART.htm .
Author List
Liang YJ, Lin YT, Chen CW, Lin CW, Chao KM, Pan WH, Yang HCAuthor
Chien-Wei Lin PhD Associate Professor in the Data Science Institute department at Medical College of WisconsinMESH terms used to index this publication - Major topics in bold
Analysis of VarianceGas Chromatography-Mass Spectrometry
Internet
Metabolomics
Neurotensin
Peptide Fragments
Renin
User-Computer Interface
