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"Faster and more diverse de novo molecular optimization with double-loop ..."
Esben Jannik Bjerrum et al. (2022)
- Esben Jannik Bjerrum, Christian Margreitter, Thomas Blaschke, Raquel Lopez-Rios de Castro:
Faster and more diverse de novo molecular optimization with double-loop reinforcement learning using augmented SMILES. CoRR abs/2210.12458 (2022)
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