Optimizing blood-brain barrier permeation through deep reinforcement learning for de novo drug design

Tiago Pereira, Maryam Abbasi, José Luís Oliveira, Bernardete Ribeiro, Joel Arrais. Optimizing blood-brain barrier permeation through deep reinforcement learning for de novo drug design. Bioinformatics, 37(Supplement):84-92, 2021. [doi]

Abstract

Abstract is missing.