QIMR Berghofer Medical Research Institute, Herston, QLD 4006, Australia.
The University of Queensland Diamantina Institute, The University of Queensland, Woolloongabba, QLD 4102, Australia.
J Proteome Res. 2020 Jul 2;19(7):2890-2897. doi: 10.1021/acs.jproteome.0c00082. Epub 2020 Mar 23.
The rapid evolution of mass spectrometry (MS)-based lipidomics has enabled the simultaneous measurement of numerous lipid classes. With lipidomics datasets becoming increasingly available, lipidomic-focused software tools are required to facilitate data analysis as well as mining of public datasets, integrating lipidomics-unique molecular information such as lipid class, chain length, and unsaturation. To address this need, we developed , an open-source R/Bioconductor package for data mining and analysis of lipidomics datasets. implements a comprehensive lipidomic-focused analysis workflow for targeted and untargeted lipidomics. imports numerical matrices, Skyline exports, and Metabolomics Workbench files directly into R, automatically inferring lipid class and chain information from lipid names. Through integration with the Metabolomics Workbench API, users can search, download, and reanalyze public lipidomics datasets seamlessly. allows thorough data inspection, normalization, and uni- and multivariate analyses, displaying results as interactive visualizations. To enable interpretation of lipid class, chain length, and total unsaturation data, we also developed and implemented a novel lipid set enrichment analysis. A companion online guide with two live example datasets is presented at https://www.lipidr.org/. We expect that the ease of use and innovative features of will allow the lipidomics research community to gain novel detailed insights from lipidomics data.
基于质谱（MS）的脂质组学的快速发展使得同时测量众多脂质类别成为可能。随着脂质组学数据集的日益丰富，需要脂质组学专用的软件工具来促进数据分析以及挖掘公共数据集，整合脂质组学特有的分子信息，如脂质类别、链长和不饱和度。为满足这一需求，我们开发了 ，这是一个用于挖掘和分析脂质组学数据集的开源 R/Bioconductor 软件包。 实现了针对靶向和非靶向脂质组学的全面脂质组学分析工作流程。 可以直接将数值矩阵、Skyline 输出和代谢组学工作流文件导入到 R 中，从脂质名称自动推断脂质类别和链信息。通过与代谢组学工作流 API 的集成，用户可以无缝搜索、下载和重新分析公共脂质组学数据集。 允许彻底的数据检查、归一化以及单变量和多变量分析，并以交互式可视化方式显示结果。为了能够解释脂质类别、链长和总不饱和度数据，我们还开发并实施了一种新颖的脂质集富集分析。我们在 https://www.lipidr.org/ 上提供了一个带有两个实时示例数据集的在线指南。我们希望 的易用性和创新性功能将使脂质组学研究社区能够从脂质组学数据中获得新的详细见解。
