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Utilizing Reinforcement Learning for de novo Drug Design

Utilizing Reinforcement Learning for de novo Drug Design

30 March 2023
Hampus Gummesson Svensson
C. Tyrchan
O. Engkvist
M. Chehreghani
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Papers citing "Utilizing Reinforcement Learning for de novo Drug Design"

5 / 5 papers shown
Title
Revisiting Discrete Soft Actor-Critic
Revisiting Discrete Soft Actor-Critic
Haibin Zhou
Zichuan Lin
Junyou Li
Qiang Fu
Wei Yang
Deheng Ye
40
12
0
21 Sep 2022
Local Latent Space Bayesian Optimization over Structured Inputs
Local Latent Space Bayesian Optimization over Structured Inputs
N. Maus
Haydn Jones
Juston Moore
Matt J. Kusner
John Bradshaw
J. Gardner
BDL
47
69
0
28 Jan 2022
Soft Actor-Critic for Discrete Action Settings
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
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation
Jiaxuan You
Bowen Liu
Rex Ying
Vijay S. Pande
J. Leskovec
GNN
184
878
0
07 Jun 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation
Junction Tree Variational Autoencoder for Molecular Graph Generation
Wengong Jin
Regina Barzilay
Tommi Jaakkola
211
1,329
0
12 Feb 2018
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