Mass-Up: an all-in-one open software application for MALDI-TOF mass spectrometry knowledge discovery.
Mass-Up: an all-in-one open software application for MALDI-TOF mass spectrometry knowledge discovery.
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DOI：
10.1186/s12859-015-0752-4
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发表时间：
2015-10-05
影响因子：
3
通讯作者：
Reboiro-Jato M
中科院分区：
文献类型：
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作者：
López-Fernández H;Santos HM;Capelo JL;Fdez-Riverola F;Glez-Peña D;Reboiro-Jato M
质谱分析是蛋白质组学领域中最重要的技术之一。MALDI-TOF质谱法在过去十年中由于其检测蛋白质和肽的高速和灵敏度而变得流行。MALDI-TOF-MS还可以与机器学习技术和统计方法相结合，用于知识发现。尽管有许多软件库和工具可以组合用于这类分析，但仍然需要具有图形用户友好界面的一体化解决方案，并避免对编程技能的需要。本文提出了一个用于MALDI-TOF-MS知识发现的开放软件多平台应用massup。massup软件允许数据预处理，以及后续分析，包括(i)生物标志物发现，（ii）聚类，（iii）双聚类，（iv）三维PCA可视化和(v)大型光谱数据集的分类。Mass-Up使MALDI-TOF-MS研究人员能够接触到知识发现。Mass-Up在GPLv3许可下发布，并在http://sing.ei.uvigo.es/mass-up上对所有用户开放和免费。本文的在线版本（doi:10.1186/s12859-015-0752-4）包含补充材料，授权用户可以使用。
Mass spectrometry is one of the most important techniques in the field of proteomics. MALDI-TOF mass spectrometry has become popular during the last decade due to its high speed and sensitivity for detecting proteins and peptides. MALDI-TOF-MS can be also used in combination with Machine Learning techniques and statistical methods for knowledge discovery. Although there are many software libraries and tools that can be combined for these kind of analysis, there is still a need for all-in-one solutions with graphical user-friendly interfaces and avoiding the need of programming skills. Mass-Up, an open software multiplatform application for MALDI-TOF-MS knowledge discovery is herein presented. Mass-Up software allows data preprocessing, as well as subsequent analysis including (i) biomarker discovery, (ii) clustering, (iii) biclustering, (iv) three-dimensional PCA visualization and (v) classification of large sets of spectra data. Mass-Up brings knowledge discovery within reach of MALDI-TOF-MS researchers. Mass-Up is distributed under license GPLv3 and it is open and free to all users at http://sing.ei.uvigo.es/mass-up. The online version of this article (doi:10.1186/s12859-015-0752-4) contains supplementary material, which is available to authorized users.