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KNIME workflow for retrieving causal drug and protein interactions, building networks, and performing topological enrichment analysis demonstrated by a DILI case study

  • Barbara Füzi
  • , Rahuman S. Malik-Sheriff
  • , Emma J. Manners
  • , Henning Hermjakob
  • , Gerhard F. Ecker (Corresponding author)

Publications: Contribution to journal › Article › Peer Reviewed

Original languageEnglish
Article number37
Number of pages10
JournalJournal of Cheminformatics
Volume14
Issue number1
DOIs
Publication statusPublished - 13 Jun 2022

Funding

This work has received funding from the Innovative Medicines Initiative 2 Joint Undertaking under grant agreement number 116030 (TransQST). This Joint Undertaking receives support from the European Union's Horizon 2020 Research and Innovation Programme and European Federation of Pharmaceutical Industries and Associations (EFPIA). This work was also supported by the Austrian Science Fund/FWF, grant W1232 (MolTag) and EMBL core funding. This research was funded in part, by the Wellcome Trust [104104/A/14/Z and 218244/Z/19/Z]. We also acknowledge funding from the Member States of the European Molecular Biology Laboratory.

Austrian Fields of Science 2012

  • 301207 Pharmaceutical chemistry

Keywords

  • Data science
  • Network
  • Causality
  • DILI
  • Targets
  • Enrichment analysis
  • HEPATOTOXICITY

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