Wandy Joe, Zhu Yunfeng, van der Hooft Justin J J, Daly Rónán, Barrett Michael P, Rogers Simon
Glasgow Polyomics University of Glasgow, Glasgow, UK.
Wellcome Centre for Molecular Parasitology, Glasgow, UK.
Bioinformatics. 2018 Jan 15;34(2):317-318. doi: 10.1093/bioinformatics/btx582.
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.
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.
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 data are available at Bioinformatics online.
我们最近发表了MS2LDA，这是一种用于分解源自大型代谢组学实验的分子片段数据集的方法。为了使该方法能更广泛地为社区所用，在此我们展示ms2lda.org，这是一个网络应用程序，允许用户上传他们的数据、运行MS2LDA分析并通过交互式可视化探索结果。
Ms2lda.org接受多种标准格式的串联质谱数据，并允许用户推断共同出现的片段和中性丢失特征集（质量基序）。作为一种替代工作流程，用户还可以将数据集分解为预定义的质量基序。这可以通过网络界面或通过我们的网络服务以编程方式完成。
该网站可在http://ms2lda.org找到，而源代码可在https://github.com/sdrogers/ms2ldaviz上根据MIT许可获得。
补充数据可在《生物信息学》在线版获取。
