Towards efficient discovery of green synthetic pathways with Monte Carlo tree search and reinforcement learning
© The Royal Society of Chemistry. Computer aided synthesis planning of synthetic pathways with green process conditions has become of increasing importance in organic chemistry, but the large search space inherent in synthesis planning and the difficulty in predicting reaction conditions make it a s...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Royal Society of Chemistry (RSC)
2021
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| Online Access: | https://hdl.handle.net/1721.1/135198 |