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

ACS Central Science, 2018

Abstract

This research paper explore the methodology and findings associated with ACS Central Science. The study delves into the core aspects of the research field, providing significant data and citation impact. (Full abstract processing is available via the OpenAlex API).

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