Research ArticleChemistry

Extraction of organic chemistry grammar from unsupervised learning of chemical reactions

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Science Advances  07 Apr 2021:
Vol. 7, no. 15, eabe4166
DOI: 10.1126/sciadv.abe4166

Article Information

vol. 7 no. 15

PubMed: 
Online ISSN: 
History: 
  • Received for publication August 20, 2020
  • Accepted for publication February 3, 2021
  • .

Author Information

  1. Philippe Schwaller1,2,*,
  2. Benjamin Hoover3,
  3. Jean-Louis Reymond2,
  4. Hendrik Strobelt3 and
  5. Teodoro Laino1
  1. 1IBM Research Europe, CH-8803 Rüschlikon, Switzerland.
  2. 2Department of Chemistry and Biochemistry, University of Bern, Switzerland.
  3. 3MIT-IBM Watson AI Lab, IBM Research Cambridge, Cambridge, MA 02142, USA.
  1. *Corresponding author. Email: phs{at}zurich.ibm.com

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