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Negative Data in Data Sets for Machine Learning Training.
Maloney, Michael P; Coley, Connor W; Genheden, Samuel; Carson, Nessa; Helquist, Paul; Norrby, Per-Ola; Wiest, Olaf.
Affiliation
  • Maloney MP; Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.
  • Coley CW; Department of Chemical Engineering and Department of Electrical Engineering and Computer Science, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States.
  • Genheden S; Molecular AI, Discovery Sciences, R&D, AstraZeneca, Gothenburg, Pepparedsleden 1, SE-431 83 Mölndal, Sweden.
  • Carson N; Early Chemical Development, Pharmaceutical Sciences, R&D, AstraZeneca, Macclesfield SK10 2NA, U.K.
  • Helquist P; Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.
  • Norrby PO; Data Science and Modelling, Pharmaceutical Sciences, R&D, AstraZeneca, Gothenburg, Pepparedsleden 1, SE-431 83 Mölndal, Sweden.
  • Wiest O; Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.
J Org Chem ; 88(9): 5239-5241, 2023 May 05.
Article in En | MEDLINE | ID: mdl-37126471
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Org Chem Year: 2023 Document type: Article Affiliation country: United States
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Org Chem Year: 2023 Document type: Article Affiliation country: United States