ClusterBase

Introduction and motivation

ClusterBase is a metabolomics data management system.

The metabolomics team at the Chan-Zuckerberg Biohub (CZB) wanted to improve three things. 1) Reduce the time spent on manual curation 2) Track unknown compounds across samples 3) Simplify retrospective analysis as a whole.

Brief methods Overview

The core idea is to perform network analysis on sets of metabolites from different studies. In this way, we can perform automatic curation, even on unknown compounds.

Metabolites in a new study are networked to metabolites in previous studies

By doing this we can propagate forth identities

And overtime, we can create subgraphs of the same unknown which are appropriate for the challenging identificaiton process

Results

Frontend work by collegue Wasim