LCSB Environmental Cheminformatics Group
Published May 10, 2021 | Version zenodo-v1
Software Open

Additional Supporting Information to "Occurrence and Distribution of Pharmaceuticals and their Transformation Products in Luxembourgish Surface Waters" by Singh et al.

Creators

  • 1. Ifremer Centre Atlantique: Nantes, Pays de la Loire, FR
  • 2. Luxembourg Centre for Systems Biomedicine (LCSB), University of Luxembourg, 6 avenue du Swing, 4367, Belvaux, Luxembourg
  • 3. Administration de la gestion de l'eau, Ministère de l'Environnement, du Climat et du Développement durable, Luxembourg

Description

Additional Supporting Information to "Occurrence and Distribution of Pharmaceuticals and their Transformation Products in Luxembourgish Surface Waters" by Singh et al.

Contains R code, input, and output files for

  1. data visualisation/figure generation
  2. running MetFrag as described in the Methods section
  3. generating a curated Suspect List of TPs mined from PubChem & merged with list in the literature

Notes

https://git-r3lab.uni.lu/adelene.lai/additional_si_luxpharma_singh_et_al/-/tags/zenodo-v1

Files

Additional_SI_LuxPharma_Singh_et_al.zip

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