Topic 341: Open Scalable Software Infrastructure for Metabolomics Data

Metabolomics research has great potential, and researchers are rapidly producing new techniques for analyzing the large quantities of measurement data in order to utilize metabolomic data more effectively, including promising techniques for data integration across multiple modalities of data from mass spectrometry (MS) and nuclear magnetic resonance (NMR). However, this confluence of data growth and algorithmic advances is producing a new class of problems that threatens to impede the success of modern research, including data size, proliferation of data formats, and complexity of algorithmic techniques. This proposal details a new scalable software system for integrative metabolomics called Resonant Metabolomics. This work will create a central hub for data ingestion, straightforward preprocessing, and modular data integration components, all of which will be accessible through a common web front-end. Resonant Metabolomics will cover a wide range of data ingestion and pretreatment options, enable interactive visual analysis for metabolomics integration, and provide connections of data to other metabolomics data sources and analysis tools. The system will be built into a marketable product with a refined, streamlined, intuitive UI, and associated documentation, video tutorials, and webinars.