Literature DB >> 32146531

Software tools, databases and resources in metabolomics: updates from 2018 to 2019.

Keiron O'Shea1, Biswapriya B Misra2.   

Abstract

Metabolomics has evolved as a discipline from a discovery and functional genomics tool, and is now a cornerstone in the era of big data-driven precision medicine. Sample preparation strategies and analytical technologies have seen enormous growth, and keeping pace with data analytics is challenging, to say the least. This review introduces and briefly presents around 100 metabolomics software resources, tools, databases, and other utilities that have surfaced or have improved in 2019. Table 1 provides the computational dependencies of the tools, categorizes the resources based on utility and ease of use, and provides hyperlinks to webpages where the tools can be downloaded or used. This review intends to keep the community of metabolomics researchers up to date with all the software tools, resources, and databases developed in 2019, in one place.

Keywords:  Annotation; Database; In silico; Metabolite; Metabolomics; Program; Resource; Software; Tool

Mesh:

Year:  2020        PMID: 32146531     DOI: 10.1007/s11306-020-01657-3

Source DB:  PubMed          Journal:  Metabolomics        ISSN: 1573-3882            Impact factor:   4.290


  94 in total

1.  An automated data analysis pipeline for GC-TOF-MS metabonomics studies.

Authors:  Wenxin Jiang; Yunping Qiu; Yan Ni; Mingming Su; Wei Jia; Xiuxia Du
Journal:  J Proteome Res       Date:  2010-09-29       Impact factor: 4.466

2.  Structure Annotation of All Mass Spectra in Untargeted Metabolomics.

Authors:  Ivana Blaženović; Tobias Kind; Michael R Sa; Jian Ji; Arpana Vaniya; Benjamin Wancewicz; Bryan S Roberts; Hrvoje Torbašinović; Tack Lee; Sajjan S Mehta; Megan R Showalter; Hosook Song; Jessica Kwok; Dieter Jahn; Jayoung Kim; Oliver Fiehn
Journal:  Anal Chem       Date:  2019-01-16       Impact factor: 6.986

3.  Peak Annotation and Verification Engine for Untargeted LC-MS Metabolomics.

Authors:  Lin Wang; Xi Xing; Li Chen; Lifeng Yang; Xiaoyang Su; Herschel Rabitz; Wenyun Lu; Joshua D Rabinowitz
Journal:  Anal Chem       Date:  2019-01-10       Impact factor: 6.986

4.  VOCCluster: Untargeted Metabolomics Feature Clustering Approach for Clinical Breath Gas Chromatography/Mass Spectrometry Data.

Authors:  Yaser Alkhalifah; Iain Phillips; Andrea Soltoggio; Kareen Darnley; William H Nailon; Duncan McLaren; Michael Eddleston; C L Paul Thomas; Dahlia Salman
Journal:  Anal Chem       Date:  2020-02-05       Impact factor: 6.986

5.  pseudoQC: A Regression-Based Simulation Software for Correction and Normalization of Complex Metabolomics and Proteomics Datasets.

Authors:  Shisheng Wang; Hao Yang
Journal:  Proteomics       Date:  2019-09-18       Impact factor: 3.984

6.  Miso: an R package for multiple isotope labeling assisted metabolomics data analysis.

Authors:  Yonghui Dong; Liron Feldberg; Asaph Aharoni
Journal:  Bioinformatics       Date:  2019-09-15       Impact factor: 6.937

7.  A decade after the metabolomics standards initiative it's time for a revision.

Authors:  Rachel A Spicer; Reza Salek; Christoph Steinbeck
Journal:  Sci Data       Date:  2017-09-26       Impact factor: 6.444

8.  WebSpecmine: A Website for Metabolomics Data Analysis and Mining.

Authors:  Sara Cardoso; Telma Afonso; Marcelo Maraschin; Miguel Rocha
Journal:  Metabolites       Date:  2019-10-19

9.  MetaboClust: Using interactive time-series cluster analysis to relate metabolomic data with perturbed pathways.

Authors:  Martin J Rusilowicz; Michael Dickinson; Adrian J Charlton; Simon O'Keefe; Julie Wilson
Journal:  PLoS One       Date:  2018-10-29       Impact factor: 3.240

10.  Creating a Reliable Mass Spectral-Retention Time Library for All Ion Fragmentation-Based Metabolomics.

Authors:  Ipputa Tada; Hiroshi Tsugawa; Isabel Meister; Pei Zhang; Rie Shu; Riho Katsumi; Craig E Wheelock; Masanori Arita; Romanas Chaleckis
Journal:  Metabolites       Date:  2019-10-26
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  19 in total

1.  Cognitive analysis of metabolomics data for systems biology.

Authors:  Erica L-W Majumder; Elizabeth M Billings; H Paul Benton; Richard L Martin; Amelia Palermo; Carlos Guijas; Markus M Rinschen; Xavier Domingo-Almenara; J Rafael Montenegro-Burke; Bradley A Tagtow; Robert S Plumb; Gary Siuzdak
Journal:  Nat Protoc       Date:  2021-01-22       Impact factor: 13.491

Review 2.  New software tools, databases, and resources in metabolomics: updates from 2020.

Authors:  Biswapriya B Misra
Journal:  Metabolomics       Date:  2021-05-11       Impact factor: 4.290

Review 3.  Linking Gut Microbiome and Lipid Metabolism: Moving beyond Associations.

Authors:  Santosh Lamichhane; Partho Sen; Marina Amaral Alves; Henrique C Ribeiro; Peppi Raunioniemi; Tuulia Hyötyläinen; Matej Orešič
Journal:  Metabolites       Date:  2021-01-15

Review 4.  Coupling Machine Learning and Lipidomics as a Tool to Investigate Metabolic Dysfunction-Associated Fatty Liver Disease. A General Overview.

Authors:  Helena Castañé; Gerard Baiges-Gaya; Anna Hernández-Aguilera; Elisabet Rodríguez-Tomàs; Salvador Fernández-Arroyo; Pol Herrero; Antoni Delpino-Rius; Nuria Canela; Javier A Menendez; Jordi Camps; Jorge Joven
Journal:  Biomolecules       Date:  2021-03-22

Review 5.  Machine Learning Applications for Mass Spectrometry-Based Metabolomics.

Authors:  Ulf W Liebal; An N T Phan; Malvika Sudhakar; Karthik Raman; Lars M Blank
Journal:  Metabolites       Date:  2020-06-13

Review 6.  Metabolomic Approaches to Study Chemical Exposure-Related Metabolism Alterations in Mammalian Cell Cultures.

Authors:  Aneta Balcerczyk; Christian Damblon; Bénédicte Elena-Herrmann; Baptiste Panthu; Gilles J P Rautureau
Journal:  Int J Mol Sci       Date:  2020-09-18       Impact factor: 5.923

7.  Recurrent Topics in Mass Spectrometry-Based Metabolomics and Lipidomics-Standardization, Coverage, and Throughput.

Authors:  Evelyn Rampler; Yasin El Abiead; Harald Schoeny; Mate Rusz; Felina Hildebrand; Veronika Fitz; Gunda Koellensperger
Journal:  Anal Chem       Date:  2020-11-28       Impact factor: 6.986

Review 8.  Approaches to Integrating Metabolomics and Multi-Omics Data: A Primer.

Authors:  Takoua Jendoubi
Journal:  Metabolites       Date:  2021-03-21

Review 9.  Metabolomic Laboratory-Developed Tests: Current Status and Perspectives.

Authors:  Steven Lichtenberg; Oxana P Trifonova; Dmitry L Maslov; Elena E Balashova; Petr G Lokhov
Journal:  Metabolites       Date:  2021-06-26

Review 10.  Prospects and challenges of cancer systems medicine: from genes to disease networks.

Authors:  Mohammad Reza Karimi; Amir Hossein Karimi; Shamsozoha Abolmaali; Mehdi Sadeghi; Ulf Schmitz
Journal:  Brief Bioinform       Date:  2022-01-17       Impact factor: 11.622

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