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

por 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
Publicado 2018