Mummichog 3, aligning mass spectrometry data to biological networks

Mummichog 3，将质谱数据与生物网络对齐

• 批准号: 10222073
• 负责人: Shuzhao Li
• 金额: $ 46.1万
• 依托单位: JACKSON LABORATORY
• 依托单位国家: 美国
• 财政年份: 2018
• 资助国家: 美国
• 起止时间: 2018-09-06 至 2022-08-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/10222073
• 关键词: Algorithmic Software; Algorithms; Biochemical; Biological; Communities; Computer software; Data; Data Analyses; Databases; Development; Disease; Fundulus heteroclitus; Generations; Genes; Genomic medicine; Health; Human; Intuition; Manuals; Mass Fragmentography; Mass Spectrum Analysis; Metabolic; Modeling; Names; Nature; Online Systems; Organism; Pathway interactions; Patients; Pattern; Performance; Phenotype; Publishing; Research; Software Tools; Statistical Algorithm; System; Technology; Tissues; Uncertainty; Visual; Work; base; design; diagnostic biomarker; empowered; expectation; improved; instrumentation; large scale data; metabolomics; microbiome; next generation; novel therapeutic intervention; open source; precision medicine; public health relevance; translational impact; user-friendly; web based interface

Abstract The mummichog software was initially published in 2013, as a computational approach to match patterns in metabolomics data to known biochemical networks, without the requirement of upfront metabolite identification. This approach enables rapid generation of biological hypotheses from untargeted data, and has gained considerable popularity, which also creates urgent needs to upgrade the software itself. This proposal aims to add a rich user interface, and better support of LC-MS, LC- MS/MS, IMS/MS and GC-MS. Furthermore, this work will make a conceptual leap to establish a framework of network alignment as a vehicle to interpret metabolomics data by integrating multiple layers of information. The new development will be integrated into XCMS Online and MetaboAnalyst, and will be made freely available as modular software tools.

抽象的 Mummichog软件最初于2013年发布，作为一种计算方法 代谢组学数据中的模式到已知的生化网络，无需前期 代谢物鉴定。这种方法使得从 非目标的数据，并且已经获得了广泛的知名度，这也迫切需要升级 软件本身。该建议旨在添加丰富的用户界面，并更好地支持LC-MS LC- MS/MS，IMS/MS和GC-MS。此外，这项工作将带来概念上的飞跃，以建立一个 网络对齐的框架是通过集成多个解释代谢组学数据的工具 信息层。新开发项目将集成到XCMS在线和Metaboanalyst， 并将作为模块化软件工具免费提供。