LIQUID: an-open source software for identifying lipids in LC-MS/MS-based lipidomics data
LIQUID: an-open source software for identifying lipids in LC-MS/MS-based lipidomics data
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DOI：
10.1093/bioinformatics/btx046
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发表时间：
2017-06-01
期刊：
影响因子：
5.8
通讯作者：
Metz, Thomas O.
中科院分区：
文献类型：
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作者：
Kyle, Jennifer E.;Crowell, Kevin L.;Metz, Thomas O.
我们介绍了一个开源软件，液体，半自动化处理和可视化的LC-MS/MS为基础的脂质组学数据。LIQUID为用户提供了处理高吞吐量数据的能力，并包含可定制的目标库和根据项目需求的评分模型。图形用户界面为每个脂质鉴定提供了多条光谱证据线的可视化，允许快速检查数据，以便对脂质分子种类进行可靠鉴定。将LIQUID与其他常用的自由软件（如CFM-ID、MetFrag、GNPS、LipidBlast和MS-DIAL）进行比较，发现LIQUID具有更快的处理时间，可获得更多数量的经验证的脂质鉴定。补充信息：补充数据可在Bioinformatics online获得。
We introduce an open-source software, LIQUID, for semi-automated processing and visualization of LC-MS/MS-based lipidomics data. LIQUID provides users with the capability to process high throughput data and contains a customizable target library and scoring model per project needs. The graphical user interface provides visualization of multiple lines of spectral evidence for each lipid identification, allowing rapid examination of data for making confident identifications of lipid molecular species. LIQUID was compared to other freely available software commonly used to identify lipids and other small molecules (e.g. CFM-ID, MetFrag, GNPS, LipidBlast and MS-DIAL), and was found to have a faster processing time to arrive at a higher number of validated lipid identifications.Supplementary information: Supplementary data are available at Bioinformatics online.