Testing the limits of SMILES-based de novo molecular generation with curriculum and deep reinforcement learning - researchr publication

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Maranga Mokaya, Fergus Imrie, Willem P. van Hoorn, Aleksandra Kalisz, Anthony R. Bradley, Charlotte M. Deane. Testing the limits of SMILES-based de novo molecular generation with curriculum and deep reinforcement learning. Nat. Mach. Intell., 5(4):386-394, April 2023. [doi]

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