Metabolite Differentiation and Discovery Lab (MeDDL)

This is the user wiki for the MeDDL program. Please visit the User Guide page for information regarding the setup and usage of MeDDL. If you have questions, suggestions, or want to report a bug, please visit the Forum.

The goal of this work was to enhance the capability of a novel, prototype software tool for the visualization and analysis of small molecule metabolite gas chromatography-mass spectrometry (GC-MS) and liquid chromatography-mass spectrometry (LC-MS) data for biomarker discovery. The key features of the Metabolite Differentiation and Discovery Lab (MeDDL) software platform include support for the manipulation of large data sets, tools to provide a multifaceted view of the individual experimental results, and a software architecture amenable to modification and addition of new algorithms and software components. The MeDDL tool, through its emphasis on visualization, provides unique opportunities by combining the following: easy use of both GC-MS and LC-MS data; use of both manufacturer specific data files as well as netCDF (network Common Data Form); preprocessing (peak registration and alignment in both time and mass); powerful visualization tools; and built-in data analysis functionality. The latest version of MeDDL incorporates a variety of additional features which focus on expanding the GC-MS analysis capability of the platform in support of Volatile Organic Compound (VOC) based biomarker research on-going in our laboratory.