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Reinforced Molecular Optimization with Neighborhood-Controlled Grammars

Reinforced Molecular Optimization with Neighborhood-Controlled Grammars

14 November 2020
Chenchen Xu
Qiao Liu
Minlie Huang
Tao Jiang
    GNN
    OffRL
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Papers citing "Reinforced Molecular Optimization with Neighborhood-Controlled Grammars"

4 / 4 papers shown
Title
Conditional $β$-VAE for De Novo Molecular Generation
Conditional βββ-VAE for De Novo Molecular Generation
Ryan J. Richards
A. Groener
BDL
DRL
26
10
0
01 May 2022
Artificial Intelligence in Drug Discovery: Applications and Techniques
Artificial Intelligence in Drug Discovery: Applications and Techniques
Jianyuan Deng
Zhibo Yang
Iwao Ojima
Dimitris Samaras
Fusheng Wang
AI4TS
42
100
0
09 Jun 2021
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
215
886
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
242
1,340
0
12 Feb 2018
1