Extraction of organic chemistry grammar from unsupervised learning of chemical reactions

0301 basic medicine 03 medical and health sciences 540 Chemistry 570 Life sciences; biology Research Articles
DOI: 10.1126/sciadv.abe4166 Publication Date: 2021-04-07T19:12:54Z
ABSTRACT
RXNmapper constructs coherent atom-mapping rules from raw chemical reactions using unsupervised training of neural networks.
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