Dataset Information
Ms2lda.org: web-based topic modelling for substructure discovery in mass spectrometry.
Ontology highlight
ABSTRACT: Motivation
We recently published MS2LDA, a method for the decomposition of sets of molecular fragment data derived from large metabolomics experiments. To make the method more widely available to the community, here we present ms2lda.org, a web application that allows users to upload their data, run MS2LDA analyses and explore the results through interactive visualizations.Results
Ms2lda.org takes tandem mass spectrometry data in many standard formats and allows the user to infer the sets of fragment and neutral loss features that co-occur together (Mass2Motifs). As an alternative workflow, the user can also decompose a data set onto predefined Mass2Motifs. This is accomplished through the web interface or programmatically from our web service.Availability and implementation
The website can be found at http://ms2lda.org, while the source code is available at https://github.com/sdrogers/ms2ldaviz under the MIT license.Supplementary information
Supplementary data are available at Bioinformatics online.
SUBMITTER: Wandy J
PROVIDER: S-EPMC5860206 | biostudies-literature | 2018 Jan
REPOSITORIES: biostudies-literature
Publications
Ms2lda.org: web-based topic modelling for substructure discovery in mass spectrometry.
Bioinformatics (Oxford, England) 20180101 2
<h4>Motivation</h4>We recently published MS2LDA, a method for the decomposition of sets of molecular fragment data derived from large metabolomics experiments. To make the method more widely available to the community, here we present ms2lda.org, a web application that allows users to upload their data, run MS2LDA analyses and explore the results through interactive visualizations.<h4>Results</h4>Ms2lda.org takes tandem mass spectrometry data in many standard formats and allows the user to infer ...[more]
