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A Practical Guide to Metabolomics Software Development.
Chang, Hui-Yin; Colby, Sean M; Du, Xiuxia; Gomez, Javier D; Helf, Maximilian J; Kechris, Katerina; Kirkpatrick, Christine R; Li, Shuzhao; Patti, Gary J; Renslow, Ryan S; Subramaniam, Shankar; Verma, Mukesh; Xia, Jianguo; Young, Jamey D.
Affiliation
  • Chang HY; Department of Pathology, University of Michigan, 1301 Catherine Street, Ann Arbor, Michigan 48109, United States.
  • Colby SM; Department of Biomedical Sciences and Engineering, National Central University, No. 300, Zhongda Road, Zhongli District, Taoyuan City 320, Taiwan.
  • Du X; Biological Sciences Division, Pacific Northwest National Laboratory, P.O. Box 999, MSIN: K8-98, Richland, Washington 99352, United States.
  • Gomez JD; Department of Bioinformatics & Genomics, University of North Carolina at Charlotte, 9201 University City Boulevard, Charlotte, North Carolina 28223, United States.
  • Helf MJ; Department of Chemical and Biomolecular Engineering, Vanderbilt University, PMB 351604, 2301 Vanderbilt Place, Nashville, Tennessee 37235, United States.
  • Kechris K; Boyce Thompson Institute and Department of Chemistry and Chemical Biology, Cornell University, 533 Tower Road, Ithaca, New York 14853, United States.
  • Kirkpatrick CR; Department of Biostatistics and Informatics, University of Colorado Anschutz Medical Campus, 13001 East 17th Place B119, Aurora, Colorado 80045, United States.
  • Li S; San Diego Supercomputer Center, University of California San Diego, MC 0505, 9500 Gilman Drive, La Jolla, California 92093, United States.
  • Patti GJ; The Jackson Laboratory for Genomic Medicine, 10 Discovery Drive, Farmington, Connecticut 06032, United States.
  • Renslow RS; Department of Chemistry, Department of Medicine, and Siteman Cancer Center, Washington University in St. Louis, CB 1134, One Brookings Drive, St. Louis, Missouri 63130, United States.
  • Subramaniam S; Biological Sciences Division, Pacific Northwest National Laboratory, P.O. Box 999, MSIN: K8-98, Richland, Washington 99352, United States.
  • Verma M; Gene and Linda Voiland School of Chemical Engineering and Bioengineering, Washington State University, P.O. Box 646515, Pullman, Washington 99164, United States.
  • Xia J; San Diego Supercomputer Center, University of California San Diego, MC 0505, 9500 Gilman Drive, La Jolla, California 92093, United States.
  • Young JD; Department of Bioengineering, Department of Computer Science and Engineering, Department of Cellular and Molecular Medicine, and Department of Chemistry and Biochemistry, University of California San Diego, 9500 Gilman Drive #0412, La Jolla, California 92093, United States.
Anal Chem ; 93(4): 1912-1923, 2021 02 02.
Article in En | MEDLINE | ID: mdl-33467846
ABSTRACT
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.
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Software / Metabolomics / Cloud Computing Type of study: Guideline Language: En Journal: Anal Chem Year: 2021 Document type: Article Affiliation country: Estados Unidos
Fulltext
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Software / Metabolomics / Cloud Computing Type of study: Guideline Language: En Journal: Anal Chem Year: 2021 Document type: Article Affiliation country: Estados Unidos