528297 Learning to Design and Validate Small-Molecule Synthetic Routes from Historical Reaction Data

Connor W. Coley1, Pieter Plehiers1,2, Wengong Jin3, Hanyu Gao1, Regina Barzilay3, Tommi S. Jaakkola3, William H. Green1 and Klavs F. Jensen1, (1)Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA, (2)Laboratory for Chemical Technology, Ghent University, Ghent, Belgium, (3)CSAIL, Massachusetts Institute of Technology, Cambridge, MA
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See more of this Group/Topical: Pharmaceutical Discovery, Development and Manufacturing Forum