Integrating Reaction Schemes, Reagent Databases, and Virtual Libraries into Fragment-Based Design by Reinforcement Learning - researchr publication

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Susanne Sauer, Hans Matter, Gerhard Hessler, Christoph Grebner. Integrating Reaction Schemes, Reagent Databases, and Virtual Libraries into Fragment-Based Design by Reinforcement Learning. Journal of Chemical Information and Computer Sciences, 63(18):5709-5726, September 2023. [doi]

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