RetroGNN: Fast Estimation of Synthesizability for Virtual Screening and De Novo Design by Learning from Slow Retrosynthesis Software.
Cheng-Hao LiuMaksym KorablyovStanislaw JastrzebskiPawel Wlodarczyk-PruszynskiYoshua BengioMarwin H. S. SeglerPublished in: J. Chem. Inf. Model. (2022)