BERT Learns (and Teaches) Chemistry

11 Jul 2020Josh PayneMario SroujiDian Ang YapVineet Kosaraju

Modern computational organic chemistry is becoming increasingly data-driven. There remain a large number of important unsolved problems in this area such as product prediction given reactants, drug discovery, and metric-optimized molecule synthesis, but efforts to solve these problems using machine learning have also increased in recent years... (read more)

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