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

Rafael Gómez-Bombarelli, Jennifer N. Wei, David Duvenaud, José Miguel Hernández-Lobato, Benjamín Sánchez-Lengeling, Dennis Sheberla, Jorge Aguilera-Iparraguirre, Timothy D. Hirzel, Ryan P. Adams, Alán Aspuru-Guzik

Research output: Contribution to journalArticlepeer-review

724 Scopus citations

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Engineering & Materials Science

Chemical Compounds