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Hirzel, Timothy D.
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2018
R. Gómez-Bombarelli
,
Wei, J. N.
,
Duvenaud, D.
,
Hernández-Lobato, J. Miguel
,
Sánchez-Lengeling, B.
,
Sheberla, D.
,
Aguilera-Iparraguirre, J.
,
Hirzel, T. D.
,
Adams, R. P.
, and
Aspuru-Guzik, A.
,
“
Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules
”
,
ACS Central Science
, vol. 4, no. 2, pp. 268 - 276, 2018.