About

MetaboCrates is an advanced application designed for the comprehensive analysis of targeted metabolomics data.

To get started, follow these steps:

1. Input Data: Make sure your input data is a) complient with our Open Targated Mass Spectrometry data, b) sourced from the MedIDQ or WebIDQ application. This ensures compatibility and accurate analysis within MetaboCrates.

   Your data must be in .xls or .xlsx format and contain the following columns: plate bar code, sample type, sample identification. Column names have to be unique, ignoring case.

2. Performing Analysis: Navigate to the Analysis tab to begin your data analysis. This section provides all the tools and features necessary to process and interpret your data effectively.

3. Downloading Data: You can access the Download tab at any point during your analysis. This allows you to download your data even while you're in the midst of working, ensuring flexibility and convenience in your workflow.

Local installation

To deploy this web server locally, please install MetaboCrates R package.

How to cite?

Krystyna Grzesiak, Joanna Pokora, Jarosław Chilimoniuk, Adrian Godlewski, Mariia Solovianova, Rafał Kolenda, Adam Krętowski, Michał Ciborowski, Michał Burdukiewicz (2025). MetaboCrates :An open-source pipeline for quality-aware analysis of targeted metabolomics data.

Contact

If you have any questions, suggestions or comments, contact Michal Burdukiewicz.

Funding and acknowledgements

We want to thank the Clinical Research Centre (Medical University of Białystok) members for fruitful discussions. K.G. wants to acknowledge grant no. 2021/43/O/ST6/02805 (National Science Centre). J. P. and M. B. wants to acknowledge grant no. 2023/51/D/NZ7/02847 (National Science Centre). We also acknowledge the Center for Artificial Intelligence at the Medical University of Białystok (funded by the Ministry of Health of the Republic of Poland).