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

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

Verfasser: Singh, Randolph (10781689)
Lai, Adelene (10781692)
Krier, Jessy (8846588)
Kondic, Todor (7397993)
Diderich, Philippe (10781695)
Schymanski, Emma (6548762)
Dokumenttyp: Software
Erscheinungsdatum: 2021
Schlagwörter: Biochemistry / Genetics / Molecular Biology / Pharmacology / Marine Biology / Infectious Diseases / Plant Biology / Environmental Sciences not elsewhere classified / Biological Sciences not elsewhere classified / Chemical Sciences not elsewhere classified / environmental cheminformatics / data visualisation / mass spectrometry / pubchem / transformation products / non-target screening / pharmaceuticals / suspect screening / surface water / cheminformatics / environmental chemistry
Sprache: unknown
Permalink: https://search.fid-benelux.de/Record/base-27131292
Datenquelle: BASE; Originalkatalog
Powered By: BASE
Link(s) : https://doi.org/10.5281/zenodo.4745360