Mass-Up：一款用于基质辅助激光解吸电离飞行时间质谱知识发现的一体化开放软件应用程序。

Mass-Up: an all-in-one open software application for MALDI-TOF mass spectrometry knowledge discovery.

作者信息

López-Fernández H, Santos H M, Capelo J L, Fdez-Riverola F, Glez-Peña D, Reboiro-Jato M

机构信息

Informatics Department, Universidad de Vigo, Campus Universitario As Lagoas s/n, 32004, Ourense, Spain.

Instituto de Investigación Biomédica de Vigo (IBIV), Vigo, Pontevedra, Spain.

出版信息

BMC Bioinformatics. 2015 Oct 5;16:318. doi: 10.1186/s12859-015-0752-4.

BACKGROUND

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.

RESULTS

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.

CONCLUSIONS

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.

背景

质谱分析是蛋白质组学领域最重要的技术之一。基质辅助激光解吸电离飞行时间质谱（MALDI-TOF-MS）在过去十年中因其检测蛋白质和肽的高速度和灵敏度而受到欢迎。MALDI-TOF-MS还可与机器学习技术和统计方法结合用于知识发现。尽管有许多软件库和工具可用于此类分析，但仍需要具有图形用户友好界面且无需编程技能的一体化解决方案。