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  • Rafael Gómez-Bombarelli, David Kristjanson Duvenaud, +4 authors Alán Aspuru-Guzik
  • Computer Science, Mathematics, Medicine, Physics
  • ACS central science
  • 2018 (First Publication: 7 October 2016)
  • We report a method to convert discrete representations of molecules to and from a multidimensional continuous representation. This model allows us to generate new molecules for efficient explorationExpand