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Title: Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules

Authors:
ORCiD logo [1] ; ORCiD logo [2] ;  [3] ;  [4] ;  [2] ; ORCiD logo [2] ;  [1] ;  [1] ;  [5] ; ORCiD logo [6]
  1. Kyulux North America Inc., 10 Post Office Square, Suite 800, Boston, Massachusetts 02109, United States
  2. Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts 02138, United States
  3. Department of Computer Science, University of Toronto, 6 King’s College Road, Toronto, Ontario M5S 3H5, Canada
  4. Department of Engineering, University of Cambridge, Trumpington Street, Cambridge CB2 1PZ, U.K.
  5. Google Brain, Mountain View, California, United States, Princeton University, Princeton, New Jersey, United States
  6. Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts 02138, United States, Biologically-Inspired Solar Energy Program, Canadian Institute for Advanced Research (CIFAR), Toronto, Ontario M5S 1M1, Canada
Publication Date:
Grant/Contract Number:
SC0015959
Type:
Published Article
Journal Name:
ACS Central Science
Additional Journal Information:
Journal Name: ACS Central Science Journal Volume: 4 Journal Issue: 2; Journal ID: ISSN 2374-7943
Publisher:
American Chemical Society
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
OSTI Identifier:
1416858