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"RetroGNN: Approximating Retrosynthesis by Graph Neural Networks for De ..."
Cheng-Hao Liu et al. (2020)
- Cheng-Hao Liu, Maksym Korablyov, Stanislaw Jastrzebski, Pawel Wlodarczyk-Pruszynski, Yoshua Bengio, Marwin H. S. Segler:
RetroGNN: Approximating Retrosynthesis by Graph Neural Networks for De Novo Drug Design. CoRR abs/2011.13042 (2020)
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