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Molecular De Novo Design through Deep Reinforcement Learning

Molecular De Novo Design through Deep Reinforcement Learning

25 April 2017
Marcus Olivecrona
T. Blaschke
O. Engkvist
Hongming Chen
    BDL
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Papers citing "Molecular De Novo Design through Deep Reinforcement Learning"

3 / 253 papers shown
Title
Constrained Bayesian Optimization for Automatic Chemical Design
Constrained Bayesian Optimization for Automatic Chemical Design
Ryan-Rhys Griffiths
José Miguel Hernández-Lobato
BDL
39
76
0
16 Sep 2017
ChemGAN challenge for drug discovery: can AI reproduce natural chemical
  diversity?
ChemGAN challenge for drug discovery: can AI reproduce natural chemical diversity?
Mostapha Benhenda
GAN
14
102
0
28 Aug 2017
Molecular Generation with Recurrent Neural Networks (RNNs)
Molecular Generation with Recurrent Neural Networks (RNNs)
E. Bjerrum
Richard Threlfall
14
110
0
12 May 2017
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