||3U01CA235493-04S1 Interpret this number
||Mummichog 3, Aligning Mass Spectrometry Data to Biological Networks
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.
None. See parent grant details.