Negative Data in Data Sets for Machine Learning Training

被引：16
|
作者：
Maloney, Michael P.
Coley, Connor W.
Genheden, Samuel
Carson, Nessa
Helquist, Paul
Norrby, Per-Ola
Wiest, Olaf
机构：
[1] Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame,IN,46556, United States
[2] Department of Chemical Engineering and Department of Electrical Engineering and Computer Science, Massachusetts Institute of Technology, Cambridge,MA,02139, United States
[3] Molecular AI, Discovery Sciences, R&D, AstraZeneca, Gothenburg, Pepparedsleden 1, Mölndal,SE-431 83, Sweden
[4] Early Chemical Development, Pharmaceutical Sciences, R&D, AstraZeneca, Macclesfield,SK10 2NA, United Kingdom
[5] Data Science and Modelling, Pharmaceutical Sciences, R&D, AstraZeneca, Gothenburg, Pepparedsleden 1, Mölndal,SE-431 83, Sweden
来源：
JOURNAL OF ORGANIC CHEMISTRY | 2023年 / 88卷 / 09期
关键词：
D O I：
10.1021/acs.joc.3c00844
中图分类号：
O62 [有机化学];
学科分类号：
070303 ; 081704 ;
摘要：
引用
收藏
页码：5239 / 5241
页数：3
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