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

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

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

Afiliação

Gómez-Bombarelli R; Kyulux North America Inc., 10 Post Office Square, Suite 800, Boston, Massachusetts 02109, United States.
Wei JN; Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts 02138, United States.
Duvenaud D; Department of Computer Science, University of Toronto, 6 King's College Road, Toronto, Ontario M5S 3H5, Canada.
Hernández-Lobato JM; Department of Engineering, University of Cambridge, Trumpington Street, Cambridge CB2 1PZ, U.K.
Sánchez-Lengeling B; Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts 02138, United States.
Sheberla D; Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts 02138, United States.
Aguilera-Iparraguirre J; Kyulux North America Inc., 10 Post Office Square, Suite 800, Boston, Massachusetts 02109, United States.
Hirzel TD; Kyulux North America Inc., 10 Post Office Square, Suite 800, Boston, Massachusetts 02109, United States.
Adams RP; Google Brain, Mountain View, California, United States.
Aspuru-Guzik A; Princeton University, Princeton, New Jersey, United States.

ACS Cent Sci ; 4(2): 268-276, 2018 Feb 28.

Article em En | MEDLINE | ID: mdl-29532027

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Revista: ACS Cent Sci Ano de publicação: 2018 Tipo de documento: Article

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