Reinforcement learning optimization of reaction routes on the basis of large, hybrid organic chemistry-synthetic biological, reaction network data
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Peer-reviewed
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Article
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Abstract
jats:pComputer-assisted synthesis planning (CASP) accelerates the development of organic synthesis routes of complex functional molecules.</jats:p>
Description
Acknowledgements: CZ is grateful to Cambridge Trust CSC Scholarship for funding his PhD study. We gratefully acknowledge the collaboration with RELX Intellectual Properties SA and their technical support, which enabled us to mine Reaxys. Copyright© 2020 Elsevier Limited except certain content provided by third parties. Reaxys is a trademark of Elsevier Limited. Reaxys data were made accessible to our research project via the Elsevier R&D Collaboration Network.
Keywords
3405 Organic Chemistry, 34 Chemical Sciences
Journal Title
Reaction Chemistry and Engineering
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2058-9883
2058-9883
2058-9883
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Publisher
Royal Society of Chemistry (RSC)
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Cambridge Trust (Unassigned)