HMDB: a knowledgebase for the human metabolome
David S. Wishart,Craig Knox,An Chi Guo,Roman Eisner,Nelson Young,Bijaya Gautam,David Hau,Nick Psychogios,Edison Dong,Souhaila Bouatra,Rupasri Mandal,Igor Sinelnikov,Jianguo Xia,Leslie Jia,Joseph A. Cruz,Emilia L. Lim,Constance A. Sobsey,Savita Shrivastava,Paul Huang,Philip Liu,Lydia Fang,Jun Peng,Ryan Fradette,Dean Cheng,Dan Tzur,Melisa Clements,Avalyn Lewis,Andrea De Souza,Azaret Zuniga,Margot Dawe,Yeping Xiong,Derrick L. J. Clive,Russell Greiner,Alsu Nazyrova,Rustem Shaykhutdinov,Liang Li,Hans J. Vogel,Ian J. Forsythe +37 more
TLDR
The most recent release of HMDB has been significantly expanded and enhanced over the previous release, with the number of fully annotated metabolite entries growing from 2180 to more than 6800, a 300% increase.Abstract:
The Human Metabolome Database (HMDB, http://www.hmdb.ca) is a richly annotated resource that is designed to address the broad needs of biochemists, clinical chemists, physicians, medical geneticists, nutritionists and members of the metabolomics community. Since its first release in 2007, the HMDB has been used to facilitate the research for nearly 100 published studies in metabolomics, clinical biochemistry and systems biology. The most recent release of HMDB (version 2.0) has been significantly expanded and enhanced over the previous release (version 1.0). In particular, the number of fully annotated metabolite entries has grown from 2180 to more than 6800 (a 300% increase), while the number of metabolites with biofluid or tissue concentration data has grown by a factor of five (from 883 to 4413). Similarly, the number of purified compounds with reference to NMR, LC-MS and GC-MS spectra has more than doubled (from 380 to more than 790 compounds). In addition to this significant expansion in database size, many new database searching tools and new data content has been added or enhanced. These include better algorithms for spectral searching and matching, more powerful chemical substructure searches, faster text searching software, as well as dedicated pathway searching tools and customized, clickable metabolic maps. Changes to the user-interface have also been implemented to accommodate future expansion and to make database navigation much easier. These improvements should make the HMDB much more useful to a much wider community of users.read more
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MZmine 2: Modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data
TL;DR: A new generation of a popular open-source data processing toolbox, MZmine 2 is introduced, suitable for processing large batches of data and has been applied to both targeted and non-targeted metabolomic analyses.
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HMDB 3.0—The Human Metabolome Database in 2013
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TL;DR: New database visualization tools and new data content have been added or enhanced to the HMDB, which includes better spectral viewing tools, more powerful chemical substructure searches, an improved chemical taxonomy and better, more interactive pathway maps.
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HMDB 4.0: the human metabolome database for 2018.
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TL;DR: This year's update to the HMDB, HMDB 4.0, represents the most significant upgrade to the database in its history and should greatly enhance its ease of use and its potential applications in nutrition, biochemistry, clinical chemistry, clinical genetics, medicine, and metabolomics science.
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HMDB: The human metabolome database
David S. Wishart,Dan Tzur,Craig Knox,Roman Eisner,An Chi Guo,Nelson Young,Dean Cheng,Kevin Jewell,David Arndt,Summit Sawhney,Chris Fung,Lisa Nikolai,Michael J. Lewis,Marie-Aude Coutouly,Ian D. Forsythe,Peter Tang,Savita Shrivastava,Kevin Jeroncic,Paul Stothard,Godwin Amegbey,David Block,David Hau,James Wagner,Jessica Miniaci,Melisa Clements,Mulu Gebremedhin,Natalie Guo,Ying Wen Zhang,Gavin E. Duggan,Glen D. MacInnis,Alim M. Weljie,Reza Dowlatabadi,Fiona Bamforth,Derrick L. J. Clive,Russell Greiner,Liang Li,Thomas J. Marrie,Brian D. Sykes,Hans J. Vogel,Lori M.M. Querengesser +39 more
TL;DR: The Human Metabolome Database is designed to address the broad needs of biochemists, clinical chemists, physicians, medical geneticists, nutritionists and members of the metabolomics community.
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