A Model to Search for Synthesizable Molecules

NeurIPS 2019 John BradshawBrooks PaigeMatt J. KusnerMarwin H. S. SeglerJosé Miguel Hernández-Lobato

Deep generative models are able to suggest new organic molecules by generating strings, trees, and graphs representing their structure. While such models allow one to generate molecules with desirable properties, they give no guarantees that the molecules can actually be synthesized in practice... (read more)

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