Using MetaboAnalyst 4.0 for Metabolomics Data Analysis, Interpretation, and Integration with Other Omics Data

Author(s):  
Jasmine Chong ◽  
Jianguo Xia
2020 ◽  
Author(s):  
Lauren M. McIntyre ◽  
Francisco Huertas ◽  
Olexander Moskalenko ◽  
Marta Llansola ◽  
Vicente Felipo ◽  
...  

AbstractGalaxy is a user-friendly platform with a strong development community and a rich set of tools for omics data analysis. While multi-omics experiments are becoming popular, tools for multi-omics data analysis are poorly represented in this platform. Here we present GAIT-GM, a set of new Galaxy tools for integrative analysis of gene expression and metabolomics data. In the Annotation Tool, features are mapped to KEGG pathway using a text mining approach to increase the number of mapped metabolites. Several interconnected databases are used to maximally map gene IDs across species. In the Integration Tool, changes in metabolite levels are modelled as a function of gene expression in a flexible manner. Both unbiased exploration of relationships between genes and metabolites and biologically informed models based on pathway data are enabled. The GAIT-GM tools are freely available at https://github.com/SECIMTools/gait-gm.


Author(s):  
Gavin Rhys Lloyd ◽  
Andris Jankevics ◽  
Ralf J M Weber

Abstract Summary Implementing and combining methods from a diverse range of R/Bioconductor packages into ‘omics’ data analysis workflows represents a significant challenge in terms of standardization, readability and reproducibility. Here, we present an R/Bioconductor package, named struct (Statistics in R using Class-based Templates), which defines a suite of class-based templates that allows users to develop and implement highly standardized and readable statistical analysis workflows. Struct integrates with the STATistics Ontology to ensure consistent reporting and maximizes semantic interoperability. We also present a toolbox, named structToolbox, which includes an extensive set of commonly used data analysis methods that have been implemented using struct. This toolbox can be used to build data-analysis workflows for metabolomics and other omics technologies. Availability and implementation struct and structToolbox are implemented in R, and are freely available from Bioconductor (http://bioconductor.org/packages/struct and http://bioconductor.org/packages/structToolbox), including documentation and vignettes. Source code is available and maintained at https://github.com/computational-metabolomics.


Author(s):  
Peter D Karp ◽  
Peter E Midford ◽  
Richard Billington ◽  
Anamika Kothari ◽  
Markus Krummenacker ◽  
...  

Abstract Motivation Biological systems function through dynamic interactions among genes and their products, regulatory circuits and metabolic networks. Our development of the Pathway Tools software was motivated by the need to construct biological knowledge resources that combine these many types of data, and that enable users to find and comprehend data of interest as quickly as possible through query and visualization tools. Further, we sought to support the development of metabolic flux models from pathway databases, and to use pathway information to leverage the interpretation of high-throughput data sets. Results In the past 4 years we have enhanced the already extensive Pathway Tools software in several respects. It can now support metabolic-model execution through the Web, it provides a more accurate gap filler for metabolic models; it supports development of models for organism communities distributed across a spatial grid; and model results may be visualized graphically. Pathway Tools supports several new omics-data analysis tools including the Omics Dashboard, multi-pathway diagrams called pathway collages, a pathway-covering algorithm for metabolomics data analysis and an algorithm for generating mechanistic explanations of multi-omics data. We have also improved the core pathway/genome databases management capabilities of the software, providing new multi-organism search tools for organism communities, improved graphics rendering, faster performance and re-designed gene and metabolite pages. Availability The software is free for academic use; a fee is required for commercial use. See http://pathwaytools.com. Contact [email protected] Supplementary information Supplementary data are available at Briefings in Bioinformatics online.


2021 ◽  
Vol 49 ◽  
pp. 107739
Author(s):  
Parminder S. Reel ◽  
Smarti Reel ◽  
Ewan Pearson ◽  
Emanuele Trucco ◽  
Emily Jefferson

2021 ◽  
Author(s):  
Scott A. Jarmusch ◽  
Justin J. J. van der Hooft ◽  
Pieter C. Dorrestein ◽  
Alan K. Jarmusch

This review covers the current and potential use of mass spectrometry-based metabolomics data mining in natural products. Public data, metadata, databases and data analysis tools are critical. The value and success of data mining rely on community participation.


2018 ◽  
Vol 19 (S14) ◽  
Author(s):  
Diogo Manuel Carvalho Leite ◽  
Xavier Brochet ◽  
Grégory Resch ◽  
Yok-Ai Que ◽  
Aitana Neves ◽  
...  

Rhizosphere ◽  
2017 ◽  
Vol 3 ◽  
pp. 222-229 ◽  
Author(s):  
Richard Allen White ◽  
Mark I. Borkum ◽  
Albert Rivas-Ubach ◽  
Aivett Bilbao ◽  
Jason P. Wendler ◽  
...  

Sign in / Sign up

Export Citation Format

Share Document