Transformer-based molecular optimization beyond matched molecular pairs

Jiazhen He, Eva Nittinger, Christian Tyrchan, Werngard Czechtizky, Atanas Patronov, Esben Jannik Bjerrum, Ola Engkvist. Transformer-based molecular optimization beyond matched molecular pairs. J. Cheminformatics, 14(1):18, 2022. [doi]

Abstract

Abstract is missing.