Widely Used and Fast De Novo Drug Design by a Protein Sequence-Based Reinforcement Learning Model
Yaqin Li, Lingli Li, Yongjin Xu, Yi Yu
This paper introduces a fast reinforcement learning model for de novo drug design using protein sequences, showing it can generate bioactive compounds for targets with and without experimental structures.
bioRxiv · Aug 18, 2022 · PreprintBioinformatics