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@RECETOX

RECETOX RI (EIRENE-CZ)

At RECETOX we are engaged in research and education in the management of environmental and health risks associated with the chemicals around us.

RECETOX GitHub Organization

RECETOX — Research Center for Toxic Compounds in the Environment

Masaryk University EIRENE RI License


About RECETOX

RECETOX is engaged in research and education on managing the environmental and health risks associated with the chemicals around us. Based at Masaryk University in Brno, Czech Republic, we conduct cutting-edge environmental health research and develop diagnostic and preventive tools.

Our Mission

We study the human exposome — the totality of non-genetic factors influencing health over the life course — to understand how chemical exposures impact human health and to develop evidence-based solutions for risk assessment and policy-making.


Research Focus

Our work spans several key areas:

Area Description
Chemical Exposure Assessment Mapping environmental chemicals and their transformations in human biospecimens
Biomarker Analysis Targeted quantification of protein and chemical biomarkers using mass spectrometry
Exposomics & Metabolomics High-resolution profiling of metabolites and environmental compounds
Data Services Processing, analyzing, and interpreting complex spectrometric data
Population Studies Cohort studies through CELSPAC and European collaborations

EIRENE ERIC

RECETOX coordinates the EIRENE ERIC (European Research Infrastructure Consortium), a sustainable European infrastructure enabling advanced exposome research across Europe.

Goals

  • Unite and harmonise European capacities for chemical-exposure and health studies
  • Provide open-access infrastructure for developing new technologies
  • Translate research results into public health actions

Learn more: https://eirene.eu


Software & Tools

This organization hosts open-source software developed by RECETOX for environmental health research.

Mass Spectrometry Data Processing

Repository Language Description
recetox-aplcms R Feature detection from LC/MS spectra. Generates feature tables from mzML files with noise filtering and peak alignment. Available on Bioconda as r-recetox-aplcms.
epyraw Python Python wrapper for Thermo Fisher RawFileReader library. Read .raw mass spectrometry files in Python (Windows, Linux, macOS). Install via pip install epyraw.
mzmlr R Validate and read mzML files. Schema validation, spectrum/chromatogram extraction with lazy loading for memory efficiency. Available on CRAN.
MsBackendMzmlr R MsBackend implementation for the Spectra package using mzmlr. Memory-efficient on-disk access without requiring mzR.
recetox-xMSannotator R Custom adaptation of xMSannotator for annotated MS data processing. Complete rewrite following original program structure.
MSMetaEnhancer Python Tool for mass spectra metadata annotation via web services.
RIAssigner Python Retention index (RI) computation for GC-MS data. Supports .msp, .csv, and .tsv formats.

Galaxy Workflows & Tools

Repository Language Description
galaxytools XML/Python/R Galaxy tool wrappers for untargeted mass spectrometry analysis. Available at Galaxy UMSA. MIT licensed.
ei_spectra_predictions - Workflow for quantum chemistry-based prediction of electron ionization mass spectra for environmental chemicals.

Infrastructure & Utilities

Repository Language Description
fs-irods Python PyFilesystem2 extension for iRODS data management system.
specdatri_reporting - Scripts and GitHub Actions for gathering RECETOX impact metrics and reporting.
biobank-module TypeScript Biobank data handling module. Licensed under CC-BY-4.0.

Distribution

Our tools are distributed via multiple channels:

Channel Purpose
Bioconda / Biocontainers Easy installation of R and Python packages
PyPI Python packages (epyraw, RIAssigner)
CRAN R packages (mzmlr)
Galaxy/UMSA Web-based workflow execution at umsa.cerit-sc.cz
GitHub Source code access and contribution

Collaborations

RECETOX collaborates with:

  • Academic institutions worldwide
  • Industry partners for knowledge transfer
  • Policy makers for evidence-based regulations
  • European research infrastructure consortia

Contact

RECETOX Masaryk University, Kamenice 753/5, pavilion A29, 625 00 Brno, Czech Republic


License

Most packages in this organization are released under permissive open-source licenses. See individual repositories for specific license terms.


Acknowledgments

This work is supported by:

  • Masaryk University and the Ministry of Education, Youth and Sports of the Czech Republic
  • European Union research and innovation programs

Pinned Loading

  1. RIAssigner RIAssigner Public

    RIAssigner is a python tool for retention index (RI) computation for GC-MS data.

    Python 7 6

  2. recetox-aplcms-archive recetox-aplcms-archive Public

    Forked from tianwei-yu/apLCMS

    This is a custom fork of apLCMS containing adaptations for large scale studies.

    R 5 12

  3. recetox-xMSannotator recetox-xMSannotator Public

    Forked from kuppal2/xMSannotator

    This is a custom adaptation of the original version of xMSannotator. It is a complete rewrite of the original functionality, following the same program structure.

    R 5 7

  4. MSMetaEnhancer MSMetaEnhancer Public

    Tool for mass spectra metadata annotation.

    Python 9 11

  5. galaxytools galaxytools Public

    Set of Galaxy tool wrappers developed at RECETOX

    Python 15 18

  6. ei_spectra_predictions ei_spectra_predictions Public

    This repository contains the workflow and supporting information for "Quantum chemistry based prediction of electron ionization mass spectra for environmental chemicals".

    Jupyter Notebook 5 1

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