Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph Edits

Mikolaj Sacha, Mikolaj Blaz, Piotr Byrski, Pawel Dabrowski-Tumanski, Mikolaj Chrominski, Rafal Loska, Pawel Wlodarczyk-Pruszynski, Stanislaw Jastrzebski. Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph Edits. Journal of Chemical Information and Computer Sciences, 61(7):3273-3284, 2021. [doi]

Abstract

Abstract is missing.