Negative Data in Data Sets for Machine Learning Training.

Autor: 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.
Jazyk: angličtina
Zdroj: Organic letters [Org Lett] 2023 May 05; Vol. 25 (17), pp. 2945-2947. Date of Electronic Publication: 2023 Apr 26.
DOI: 10.1021/acs.orglett.3c01282
Databáze: MEDLINE