Research ArticleChemistry
Extraction of organic chemistry grammar from unsupervised learning of chemical reactions
- View ORCID ProfilePhilippe Schwaller1,2,*,
- View ORCID ProfileBenjamin Hoover3,
- View ORCID ProfileJean-Louis Reymond2,
- View ORCID ProfileHendrik Strobelt3 and
- Teodoro Laino1
- 1IBM Research Europe, CH-8803 Rüschlikon, Switzerland.
- 2Department of Chemistry and Biochemistry, University of Bern, Switzerland.
- 3MIT-IBM Watson AI Lab, IBM Research Cambridge, Cambridge, MA 02142, USA.
- ↵*Corresponding author. Email: phs{at}zurich.ibm.com
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Science Advances 07 Apr 2021:
Vol. 7, no. 15, eabe4166
DOI: 10.1126/sciadv.abe4166
Vol. 7, no. 15, eabe4166
DOI: 10.1126/sciadv.abe4166
Philippe Schwaller
1IBM Research Europe, CH-8803 Rüschlikon, Switzerland.
2Department of Chemistry and Biochemistry, University of Bern, Switzerland.
Benjamin Hoover
3MIT-IBM Watson AI Lab, IBM Research Cambridge, Cambridge, MA 02142, USA.
Jean-Louis Reymond
2Department of Chemistry and Biochemistry, University of Bern, Switzerland.
Hendrik Strobelt
3MIT-IBM Watson AI Lab, IBM Research Cambridge, Cambridge, MA 02142, USA.
Teodoro Laino
1IBM Research Europe, CH-8803 Rüschlikon, Switzerland.
