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Studying and mitigating the effects of data drifts on ML model performance at the example of chemical toxicity data.
Morger, Andrea; Garcia de Lomana, Marina; Norinder, Ulf; Svensson, Fredrik; Kirchmair, Johannes; Mathea, Miriam; Volkamer, Andrea.
Affiliation
  • Morger A; In Silico Toxicology and Structural Bioinformatics, Institute of Physiology, Charité Universitätsmedizin Berlin, Berlin, 10117, Germany.
  • Garcia de Lomana M; BASF SE, 67056, Ludwigshafen, Germany.
  • Norinder U; Division of Pharmaceutical Chemistry, Department of Pharmaceutical Sciences, University of Vienna, Vienna, 1090, Austria.
  • Svensson F; Department of Pharmaceutical Biosciences, Uppsala University, Uppsala, 751 24, Sweden.
  • Kirchmair J; Dept Computer and Systems Sciences, Stockholm University, Kista, 164 07, Sweden.
  • Mathea M; MTM Research Centre, School of Science and Technology, 701 82, Örebro, Sweden.
  • Volkamer A; Alzheimer's Research UK UCL Drug Discovery Institute, London, WC1E 6BT, UK.
Sci Rep ; 12(1): 7244, 2022 05 04.
Article in En | MEDLINE | ID: mdl-35508546
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Biological Assay / Machine Learning Type of study: Prognostic_studies Language: En Journal: Sci Rep Year: 2022 Document type: Article
Fulltext
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PubMed Links
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Biological Assay / Machine Learning Type of study: Prognostic_studies Language: En Journal: Sci Rep Year: 2022 Document type: Article