Metabolomics Info
Facilitating science through community
Facilitating science through community
Name | Metabolomics Info |
Description | A service of the Metabolomics Consortium Coordinating Center (M3C) of the NIH Common Fund Metabolomics Program.Website and People Portal. |
URL | https://metabolomics.info |
Authors | |
Name | Kevin Hanson |
kshanson@ufl.edu | |
Name | Christopher Barnes |
cpb@ufl.edu | |
Name | Michael Conlon |
mconlon@ufl.edu | |
Name | Taeber Rapczak |
taeber@ufl.edu | |
Name | Hunter Jarrell |
hunter.jarrell@ufl.edu | |
Name | Samantha Emerson |
s.emerson@ufl.edu | |
Name | Alyssa Kelly |
alyssakelly@ufl.edu | |
Name | Jenny Martinez |
jmjenny@ufl.edu | |
Name | Naomi Braun |
looseymoose@ufl.edu | |
Tags | |
service |
Name | mwtab |
Description | Parser for mwtab files from the Metabolomics Workbench. |
URL | https://github.com/MoseleyBioinformaticsLab/mwtab |
Authors | |
Name | Andrey Smelter |
andrey.smelter@gmail.com | |
License | |
Kind | BSD 3-Clause Clear License |
URL | https://raw.githubusercontent.com/MoseleyBioinformaticsLab/mwtab/master/LICENSE |
Tags | |
python | |
mwtab |
Name | Bayesian AuTomated Metabolite Analyser for NMR spectra |
Description | BATMAN is an R package for estimating metabolite concentrations from Nuclear Magnetic Resonance spectral data using a specialised MCMC algorithm. |
URL | http://batman.r-forge.r-project.org/ |
Authors | |
Name | Jie Hao |
j.hao@ic.ac.uk | |
Name | William Astle |
william.astle@mail.mcgill.ca | |
Name | Maria De Iorio |
m.deiorio@ucl.ac.uk | |
Name | Timothy Ebbels |
t.ebbels@ic.ac.uk | |
License | |
Kind | Boost Software License Version 1.0 |
URL | https://r-forge.r-project.org/scm/viewvc.php/*checkout*/pkg/batman/LICENSE_1_0.txt?root=batman |
Tags | |
r |
Name | CTSgetR |
Description | "R interface to Chemical Translation Service (CTS)" |
URL | https://github.com/dgrapov/CTSgetR |
Authors | |
Name | Dmitry Grapov |
dgrapov@gmail.com | |
License | |
Kind | MIT |
URL | https://opensource.org/licenses/MIT |
Tags | |
r |
Name | Hierarchical Clustering |
Description | "Hierarchical cluster analysis on a set of dissimilarities and methods for analyzing it." |
URL | https://stat.ethz.ch/R-manual/R-patched/library/stats/html/hclust.html |
Authors | |
Name | Fionn Murtagh |
fmurtagh@acm.org | |
License | |
Kind | GNU GENERAL PUBLIC LICENSE |
URL | https://cran.r-project.org/web/licenses/GPL-3 |
Tags | |
r |
Name | Linear Discriminant Analysis |
Description | "Linear discriminant analysis." |
URL | https://stat.ethz.ch/R-manual/R-devel/library/MASS/html/lda.html |
Authors | None |
License | |
Kind | GNU General Public License |
URL | https://www.r-project.org/Licenses/GPL-2 |
Tags | |
r |
Name | Metabolomics Univariate and Multivariate Analysis |
Description | "Preprocessing of high-throughput data (normalization and scalings)" |
URL | https://cran.r-project.org/web/packages/muma/index.html |
Authors | |
Name | Edoardo Gaude |
egaude541@gmail.com | |
Name | Francesca Chignola |
Name | Dimitrios Spiliotopoulos |
Name | Silvia Mari |
Name | Andrea Spitaleri |
Name | Michela Ghitti |
License | |
Kind | GNU GENERAL PUBLIC LICENSE |
URL | https://cran.r-project.org/web/licenses/GPL-3 |
Tags | |
r |
Name | Principal Components Analysis |
Description | "Performs a principal components analysis on the given data matrix and returns the results as an object of class prcomp." |
URL | https://stat.ethz.ch/R-manual/R-patched/library/stats/html/prcomp.html |
License | |
Kind | GNU General Public License |
URL | https://www.r-project.org/Licenses/GPL-2 |
Tags | |
r |
Name | The Comprehensive R Archive Network |
Description | "freely available language and environment for statistical computing and graphics which provides a wide variety of statistical and graphical techniques." |
URL | http://cran.cnr.berkeley.edu/ |
License | |
Kind | GNU GENERAL PUBLIC LICENSE |
URL | https://www.r-project.org/Licenses/GPL-2 |
Tags | |
r |
Name | 3omics |
Description | "Web tool for visualizing and rapidly integrating multiple inter- or intra-transcriptomic, proteomic, and metabolomic human data." |
URL | https://3omics.cmdm.tw |
Tags | |
service |
Name | ACD/ NMR Processor Academic Edition |
Description | "Free NMR processing software for academic and non-commercial use only" |
URL | https://www.acdlabs.com/products/adh/spectrusprocessor/index.php |
Tags | |
service |
Name | Mass Spectrometry Data Center |
Description | "Mass spectral libraries and data analysis tools include AMDIS (Automated Mass Spectral Deconvolution and Identification System for GC/MS) and MS Interpreter (for fragmentation analysis)." |
URL | https://chemdata.nist.gov |
Tags | |
database |
Name | Chemical Translation Service |
Description | "Web-based service for metabolite identifier translation between > 200 common biological databases, including; Chemical Name, InChIKey, PubChem, ChemSpider, BioCyc, ChEBI, CAS, HMDB, KEGG and LIPID MAPS." |
URL | http://cts.fiehnlab.ucdavis.edu/ |
Authors | |
Name | Sajjan Mehta |
Name | Diego Pedrosa |
License | |
Kind | GNU LESSER GENERAL PUBLIC LICENSE |
URL | http://www.gnu.org/licenses/lgpl-3.0.html |
Tags | |
angularJS |
Name | Chenomx NMR Suite |
Description | "Chenomx specializes in mixture analysis for applications in life sciences such as metabolomics, food/nutrition, and cell culture research." |
URL | https://www.chenomx.com |
Tags | |
service |
Name | Cytoscape |
Description | "Cytoscape is an open source software platform for visualizing complex networks and integrating these with any type of attribute data" |
URL | https://cytoscape.org |
License | |
Kind | GNU LESSER GENERAL PUBLIC LICENSE |
URL | http://www.gnu.org/licenses/lgpl-3.0.html |
Tags | |
r |
Name | DeviumWeb |
Description | "Interactive multivariate data analysis in R implemented in shiny." |
URL | https://github.com/dgrapov/DeviumWeb |
Authors | |
Name | Dmitry Grapov |
dgrapov@gmail.com | |
License | |
Kind | AGPLv3 |
URL | http://www.tldrlegal.com/l/AGPL3 |
Tags | |
r |
Name | Kyoto Encyclopedia of Genes and Genomes |
Description | "KEGG is a database resource for understanding high-level functions and utilities of the biological system, such as the cell, the organism and the ecosystem, from molecular-level information, especially large-scale molecular datasets generated by genome sequencing and other high-throughput experimental technologies" |
URL | https://www.genome.jp/kegg/ |
License | |
Kind | Multiple |
URL | https://www.kegg.jp/kegg/legal.html |
Tags | |
database |
Name | MBrole 2.0 |
Description | 'Metabolite enrichment analysis' |
URL | http://csbg.cnb.csic.es/mbrole2/ |
Authors | |
Name | Javier Lopez-Lbanez |
jlopezibanez@cnb.csic.es | |
License | |
Kind | Creative Commons Attribution-NonCommercial 4.0 International License |
URL | https://creativecommons.org/licenses/by-nc/4.0/ |
Tags | |
database |
Name | MetaMapR |
Description | "Local or web-based tool for generating biochemical interaction (KEGG), structural similarity (PubChem Substructure Fingerprints), mass spectral similarity and correlation based networks." |
URL | http://dgrapov.github.io/MetaMapR/ |
Authors | |
Name | Dmitry Grapov |
dgrapov@gmail.com | |
License | |
Kind | GNU General Public License |
URL | https://github.com/dgrapov/MetaMapR/blob/master/LICENSE |
Tags | |
html | |
css | |
javascrip |
Name | metaP-server |
Description | "Automates data analysis for the processing of metabolomics experiments." |
URL | http://metap.helmholtz-muenchen.de/metap2/ |
Authors | |
Name | Gabi Kastenmüller |
presse@helmholtz-muenchen.de | |
Name | Werner Römisch-Margl |
License | |
Kind | Multiple |
URL | https://www.pathway.jp/licensing/commercial.html |
Tags | |
service |
Name | MetaExplore |
Description | "MetaExplore is a free academic service allowing; Importing/storing/sharing genome scale metabolic networks; Mapping polyomics data; Pathway enrichment; Visualizing networks; Mining networks based on data and network structure; and Computing fluxes" |
URL | http://www.metexplore.fr |
Authors | |
Name | Institut national de la recherche agronomique |
License | |
Kind | Creative Commons Attribution-NonCommercial 4.0 International License. |
URL | https://creativecommons.org/licenses/by-nc/4.0/ |
Tags | |
service |
Name | MetScape 3 for Cytoscape |
Description | "The MetScape Plugin for Cytoscape provides a bioinformatics framework for the visualization and interpretation of metabolomic and expression profiling data in the context of human metabolism." |
URL | http://metscape.ncibi.org/ |
Authors | |
Name | Bill Duren |
metscape-help@umich.edu | |
Name | Terry E. Weymouth |
Name | Tim Hull |
Name | Alla Karnovsky |
Tags | |
plugin |
Name | SIMCA |
Description | "Multivariate statistical analysis (PCA, PLSDA etc.)" |
URL | https://umetrics.com/products/simca |
Authors | |
Name | Sartorius Stedim Biotech |
umetrics@sartorius-stedim.com | |
Tags | |
application |
Name | Statistica product features |
Description | "Tools for statistical analysis of data" |
URL | http://www.statsoft.com/Products/STATISTICA-Features |
Tags | |
visual basic | |
r |
Name | Teaching Demos |
Description | "DemosTutorials, case studies and demonstrations of metabolomic data analyses" |
URL | https://imdevsoftware.wordpress.com/tutorials/ |
Authors | |
Name | Dmitry Grapov |
dgrapov@gmail.com | |
License | |
Kind | Creative Commons Attribution-NonCommercial 4.0 International License. |
URL | https://creativecommons.org/licenses/by-nc/4.0/ |
Tags | |
tutorial |
Name | Tibco Spotfire |
Description | "Tools for statistical analysis of data." |
URL | https://www.tibco.com/products/tibco-spotfire |
Authors | None |
Tags | |
service |
Name | TransOmics Informatics Powered by Nonlinear Dynamics |
Description | "Platform for bioinformatics, statistical analysis, and reporting of key results." |
URL | https://www.waters.com/waters/library.htm?lid=134683264&locale=en_US |
Authors | |
Name | Lee Gethings |
Name | Martha Stapels |
Name | Ian Mons |
Name | Jackson Pope |
Name | James Langridge |
Tags | |
documentation |
Most of the data is from the Metabolomics Tools Wiki .