Utilizing Reinforcement Learning for de novo Drug Design

30 March 2023

Papers citing "Utilizing Reinforcement Learning for de novo Drug Design"

8 / 8 papers shown

Title
TransDiffSBDD: Causality-Aware Multi-Modal Structure-Based Drug Design Xiuyuan Hu Guoqing Liu Can Chen Yang Zhao Hao Zhang Xue Liu 61 2 0 26 Mar 2025
Diversity-Aware Reinforcement Learning for de novo Drug Design Hampus Gummesson Svensson C. Tyrchan O. Engkvist M. Chehreghani 24 1 0 14 Oct 2024
Tactical Decision Making for Autonomous Trucks by Deep Reinforcement Learning with Total Cost of Operation Based Reward Deepthi Pathare Leo Laine M. Chehreghani 37 1 0 11 Mar 2024
Revisiting Discrete Soft Actor-Critic Haibin Zhou Zichuan Lin Junyou Li Qiang Fu Wei Yang Deheng Ye 46 12 0 21 Sep 2022
Local Latent Space Bayesian Optimization over Structured Inputs Natalie Maus Haydn Thomas Jones Juston Moore Matt J. Kusner John Bradshaw Jacob R. Gardner BDL 51 69 0 28 Jan 2022
Soft Actor-Critic for Discrete Action Settings Petros Christodoulou OffRL 104 292 0 16 Oct 2019
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 203 885 0 07 Jun 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 224 1,340 0 12 Feb 2018