Computational tools and workflows in metabolomics: An international survey highlights the opportunity for harmonisation through Galaxy

Abstract

For metabolomics to achieve its full potential in both the basic and applied sciences the accessibility, reporting, reproducibility and overall harmonisation of such computational tools and resources must be improved significantly. Only then can there be confidence that results obtained in one laboratory can be reproduced in another laboratory elsewhere across the globe. The development of standardised and reproducible computational workflows provides one route to achieving closer harmonisation. This is a logical evolution following the work of the Metabolomics Standards Initiative where one working group aimed to establish minimal reporting requirements for data processing