Direct Optimization across Computer-Generated Reaction Networks Balances Materials Use and Feasibility of Synthesis Plans for Molecule Libraries

Document Details

Document Type
Pub Defense Publication
Publication Date
Dec 17, 2020
Source ID
10.1021/acs.jcim.0c01032

Entities

People

  • Connor W. Coley
  • Hanyu Gao
  • Jean Pauphilet
  • Klavs F. Jensen
  • Thomas J. Struble

Organizations

  • Defense Advanced Research Projects Agency
  • London Business School
  • Massachusetts Institute of Technology