Deep Reinforcement Learning for Multiparameter Optimization in de novo Drug Design

Niclas Ståhl, Göran Falkman, Alexander Karlsson, Gunnar Mathiason, Jonas Boström. Deep Reinforcement Learning for Multiparameter Optimization in de novo Drug Design. Journal of Chemical Information and Computer Sciences, 59(7):3166-3176, 2019. [doi]

Authors

Niclas Ståhl

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Göran Falkman

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Alexander Karlsson

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Gunnar Mathiason

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Jonas Boström

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