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  1. metaboLib metaboLib Public

    Collection of functions for the evaluation of untargeted metabolomics

    R 2

  2. centWaveOpt centWaveOpt Public

    Supplementary material for the paper "Automated Optimization of XCMS Parameters for Improved Peak Picking of LC-MS Data using the Coefficient of Variation and Parameter Sweeping for Untargeted Meta…

    R 1 4

  3. reconstitution reconstitution Public

    Supplementary data for "Impact of the used solvent on the reconstitution efficiency of evaporated biosamples for untargeted metabolomics studies" by Sascha K. Manier et al., Metabolomics, 2020.

    R 1 1

  4. 4mpd4meapphlm 4mpd4meapphlm Public

    Supplementary data for "Liquid Chromatography-High-Resolution Mass Spectrometry-Based In Vitro Toxicometabolomics of the Synthetic Cathinones 4-MPD and 4-MEAP in Pooled Human Liver Microsomes" by S…

    R 1

  5. chickenegg-metabolomics chickenegg-metabolomics Public

    Repository for code used in an unpublished manuscript

    Jupyter Notebook 1

  6. hepargmetabolomics hepargmetabolomics Public

    Supplementary data for "Toxicometabolomics of the new psychoactive substances α-PBP and α-PEP studied in HepaRG cell incubates by means of untargeted metabolomics revealed unexpected amino acid add…

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