Are Learned Molecular Representations Ready For Prime Time?

For Prime Time? Kevin Yang,∗,† Kyle Swanson,∗,† Wengong Jin,† Connor Coley,‡ Philipp Eiden,¶ Hua Gao,§ Angel Guzman-Perez,§ Timothy Hopper,§ Brian Kelley,‖ Miriam Mathea,¶ Andrew Palmer,¶ Volker Settels,¶ Tommi Jaakkola,† Klavs Jensen,‡ and Regina Barzilay† †Computer Science and Artificial Intelligence Laboratory, MIT, Cambridge, MA ‡Department of Chemical Engineering, MIT, Cambridge, MA ¶BASF SE, Ludwigshafen, Germany §Amgen Inc., Cambridge, MA ‖Novartis Institutes for BioMedical Research, Cambridge, MA

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