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"Testing the limits of SMILES-based de novo molecular generation with ..."
Maranga Mokaya et al. (2023)
- 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. Mac. Intell. 5(4): 386-394 (2023)
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