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Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules
Wed, 2019-07-10 16:28
Rafael Gómez-Bombarelli
Wei, Jennifer N.
Duvenaud, David
Hernández-Lobato, José Miguel
Sánchez-Lengeling, Benjamín
Sheberla, Dennis
Jorge Aguilera-Iparraguirre
Hirzel, Timothy D.
Adams, Ryan P.
Alán Aspuru-Guzik
Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules
ACS Central Science
,
vol.
4
,
pp.
268 – 276
,
2018
.
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