Studying and mitigating the effects of data drifts on ML model performance at the example of chemical toxicity data

  • Andrea Morger
  • , Marina Garcia de Lomana
  • , Ulf Norinder
  • , Fredrik Svensson
  • , Johannes Kirchmair
  • , Miriam Mathea
  • , Andrea Volkamer

Publications: Contribution to journalArticlePeer Reviewed

Original languageEnglish
Article number7244
Number of pages13
JournalScientific Reports
Volume12
Issue number1
DOIs
Publication statusPublished - 4 May 2022

Austrian Fields of Science 2012

  • 106005 Bioinformatics
  • 301207 Pharmaceutical chemistry
  • 301211 Toxicology

Keywords

  • Biological Assay
  • Calibration
  • Machine Learning
  • Molecular Conformation
  • CONFORMAL PREDICTION
  • PDBBIND DATABASE
  • RECEPTOR

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