# Object Oriented Data Analysis for Untargeted Metabolomics

> **NIH NIH R44** · WILLIAM D SHANNON CONSULTING, LLC · 2021 · $812,685

## Abstract

PROJECT SUMMARY/ABSTRACT
In this Phase II SBIR application for Object Oriented Data Analysis for Untargeted Metabolomics, we
propose to continue the research initiated in Phase I developing a software platform. In Phase I we showed
functional Object Oriented Data Analysis (fOODA), which models raw RT x m/z x Ion Intensity data in
functional form (12-14), can be applied to raw metabolomics data to automatically, and in an unbiased way,
find peak differences across subject subgroups, and present the results to investigators in a clear way. The
software runs fast (a few hours to process hundreds of sample files) in parallel on the AWS cloud.
Requirements engineering through user discussions identified functions that will be added in Phase II (e.g.,
automate identification of isotopes, adducts, product ions, and ion suppression artifacts; link results to
annotated databases; add analyses for dose response studies). The current software provides an initial
architecture that will be further developed.
Three aims are proposed: further develop statistical and annotation tools and validate them in simulations and
3 untargeted metabolomics studies (Aim 1); conduct extensive Requirements Engineering interviews with 100
metabolomics core directors, researchers, and clinicians (Aim 2); and write software to sell and install in core
facilities (Aim 3). The first aim builds on the success of the Phase I project and is designed to optimize the
analytic tools. The other two aims are focused on developing the commercial product. A new hire for each aim
will be done to ensure we have the right skill set and expertise for these aims.
The commercialization plan describes short- and long-term business development. In the short-term we will
license proprietary software to metabolomics cores and offer statistical consulting services. In the long-term we
will leverage our contacts with multi-omics cores to participate in BioRankings multi-omics platform where
metabolomics, microbiome, and clinical data can be easily combined for translational statistical analysis. This
will provide a second revenue stream for BioRankings.

## Key facts

- **NIH application ID:** 10147888
- **Project number:** 5R44GM131487-03
- **Recipient organization:** WILLIAM D SHANNON CONSULTING, LLC
- **Principal Investigator:** WILLIAM D. SHANNON
- **Activity code:** R44 (R01, R21, SBIR, etc.)
- **Funding institute:** NIH
- **Fiscal year:** 2021
- **Award amount:** $812,685
- **Award type:** 5
- **Project period:** 2019-01-11 → 2022-04-30

## Primary source

NIH RePORTER: https://reporter.nih.gov/project-details/10147888

## Citation

> US National Institutes of Health, RePORTER application 10147888, Object Oriented Data Analysis for Untargeted Metabolomics (5R44GM131487-03). Retrieved via AI Analytics 2026-05-27 from https://api.ai-analytics.org/grant/nih/10147888. Licensed CC0.

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