A Practical Guide to Metabolomics Software Development

被引：33

作者：

Chang, Hui-Yin ^{[1
,2
]}

Colby, Sean M. ^{[3
]}

Du, Xiuxia ^{[4
]}

Gomez, Javier D. ^{[5
]}

Helf, Maximilian J. ^{[6
,7
]}

Kechris, Katerina ^{[8
]}

Kirkpatrick, Christine R. ^{[9
]}

Li, Shuzhao ^{[10
]}

Patti, Gary J. ^{[11
,12
]}

Renslow, Ryan S. ^{[3
,13
]}

Subramaniam, Shankar ^{[9
,14
,15
]}

Verma, Mukesh ^{[16
]}

Xia, Jianguo ^{[17
]}

Young, Jamey D. ^{[5
,18
]}

机构：

[1] Univ Michigan, Dept Pathol, Ann Arbor, MI 48109 USA

[2] Natl Cent Univ, Dept Biomed Sci & Engn, Taoyuan 320, Taiwan

[3] Pacific Northwest Natl Lab, Biol Sci Div, Richland, WA 99352 USA

[4] Univ North Carolina Charlotte, Dept Bioinformat & Genom, Charlotte, NC 28223 USA

[5] Vanderbilt Univ, Dept Chem & Biomol Engn, 221 Kirkland Hall, Nashville, TN 37235 USA

[6] Cornell Univ, Boyce Thompson Inst, Ithaca, NY 14853 USA

[7] Cornell Univ, Dept Chem & Chem Biol, Ithaca, NY 14853 USA

[8] Univ Colorado, Dept Biostat & Informat, Anschutz Med Campus, Aurora, CO 80045 USA

[9] Univ Calif San Diego, San Diego Supercomp Ctr, La Jolla, CA 92093 USA

[10] Jackson Lab Genom Med, Farmington, CT 06032 USA

[11] Washington Univ, Dept Chem, Dept Med, St Louis, MO 63130 USA

[12] Washington Univ, Siteman Canc Ctr, St Louis, MO 63130 USA

[13] Washington State Univ, Gene & Linda Voiland Sch Chem Engn & Bioengn, Pullman, WA 99164 USA

[14] Univ Calif San Diego, Dept Bioengn, Dept Comp Sci & Engn, Dept Cellular & Mol Med, La Jolla, CA 92093 USA

[15] Univ Calif San Diego, Dept Chem & Biochem, La Jolla, CA 92093 USA

[16] NCI, Epidemiol & Genom Res Program, NIH, Rockville, MD 20850 USA

[17] McGill Univ, Fac Agr & Environm Sci, Ste Anne De Bellevue, PQ H9X 3V9, Canada

[18] Vanderbilt Univ, Dept Mol Physiol & Biophys, Nashville, TN 37232 USA

来源：

ANALYTICAL CHEMISTRY | 2021年 / 93卷 / 04期

关键词：

723 Computer Software; Data Handling and Applications - 723.1 Computer Programming - 723.2 Data Processing and Image Processing - 723.5 Computer Applications;

D O I：

10.1021/acs.analchem.0c03581

中图分类号：

O65 [分析化学];

学科分类号：

070302 ; 081704 ;

摘要：

A growing number of software tools have been developed for metabolomics data processing and analysis. Many new tools are contributed by metabolomics practitioners who have limited prior experience with software development, and the tools are subsequently implemented by users with expertise that ranges from basic point-and-click data analysis to advanced coding. This Perspective is intended to introduce metabolomics software users and developers to important considerations that determine the overall impact of a publicly available tool within the scientific community. The recommendations reflect the collective experience of an NIH-sponsored Metabolomics Consortium working group that was formed with the goal of researching guidelines and best practices for metabolomics tool development. The recommendations are aimed at metabolomics researchers with little formal background in programming and are organized into three stages: (i) preparation, (ii) tool development, and (iii) distribution and maintenance.

引用

页码：1912 / 1923

页数：12

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