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"RetroGNN: Fast Estimation of Synthesizability for Virtual Screening and De ..."
Cheng-Hao Liu et al. (2022)
- Cheng-Hao Liu
, Maksym Korablyov, Stanislaw Jastrzebski, Pawel Wlodarczyk-Pruszynski, Yoshua Bengio, Marwin H. S. Segler
:
RetroGNN: Fast Estimation of Synthesizability for Virtual Screening and De Novo Design by Learning from Slow Retrosynthesis Software. J. Chem. Inf. Model. 62(10): 2293-2300 (2022)
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