Towards efficient discovery of green synthetic pathways with Monte Carlo tree search and reinforcement learning
Author:
Affiliation:
1. Department of Chemical Engineering
2. Massachusetts Institute of Technology
3. Cambridge
4. USA
5. Department of Chemical and Biomolecular Engineering
6. Department of Electrical Engineering and Computer Science
Abstract
A new MCTS variant with a reinforcement learning value network and solvent prediction model proposes shorter synthesis routes with greener solvents.
Funder
Ohio State University
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2020/SC/D0SC04184J
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