Fetching the paper…
Reading the bibliography…
We propose a simple auto-encoder framework for molecule generation.
The graph neural network model
F Scarselli, M Gori, AC Tsoi, M Hagenbuchner, and G Monfardini · 2008
Earlier work this paper cites.
Zinc: a free tool to discover chemistry for biology
John J Irwin, Teague Sterling, Michael M Mysinger, Erin S Bolstad, and Ryan G Coleman · 2012
Earlier work this paper cites.
Auto-encoding variational bayes
Diederik P Kingma and Max Welling · 2013
Earlier work this paper cites.
Estimation of the size of drug-like chemical space based on gdb-17 data
P. G. Polishchuk, T. I. Madzhidov, and A. Varnek · 2013
Earlier work this paper cites.
Convolutional networks on graphs for learning molecular fingerprints
David K Duvenaud, Dougal Maclaurin, Jorge Iparraguirre, Rafael Bombarell, Timothy Hirzel, Alán Aspuru-Guzik, and Ryan P Adams · 2015
Earlier work this paper cites.
Gated graph sequence neural networks
Yujia Li, Daniel Tarlow, Marc Brockschmidt, and Richard Zemel · 2015
Earlier work this paper cites.
Learning Multiagent Communication with Backpropagation
S. Sukhbaatar, A Szlam, and R. Fergus · 2016
Earlier work this paper cites.
Neural message passing for quantum chemistry
Justin Gilmer, Samuel S Schoenholz, Patrick F Riley, Oriol Vinyals, and George E Dahl · 2017
Cited alongside, same era.
Inductive representation learning on large graphs
Will Hamilton, Zhitao Ying, and Jure Leskovec · 2017
Cited alongside, same era.
Semi-supervised classification with graph convolutional networks
Thomas N Kipf and Max Welling · 2017
Cited alongside, same era.
Grammar variational autoencoder
Matt J Kusner, Brooks Paige, and José Miguel Hernández-Lobato · 2017
Cited alongside, same era.
Geometric deep learning on graphs and manifolds using mixture model cnns
Federico Monti, Davide Boscaini, Jonathan Masci, Emanuele Rodolà, Jan Svoboda, and Michael M Bronstein · 2017
Cited alongside, same era.
Petar Veličković, Guillem Cucurull, Arantxa Casanova, Adriana Romero, Pietro Lio, and Yoshua Bengio · 2017
Syntax-directed variational autoencoder for structured data
Hanjun Dai, Yingtao Tian, Bo Dai, Steven Skiena, and Le Song · 2018
Later among the works it cites.
Molgan: An implicit generative model for small molecular graphs
Nicola De Cao and Thomas Kipf · 2018
Later among the works it cites.
Automatic chemical design using a data-driven continuous representation of molecules
Rafael Gómez-Bombarelli, Jennifer N Wei, David Duvenaud, José Miguel Hernández-Lobato, Benjamín Sánchez-Lengeling, Dennis Sheberla, Jorge Aguilera-Iparraguirre, Timothy D Hirzel, Ryan P Adams, and Alán Aspuru-Guzik · 2018
Later among the works it cites.
Junction tree variational autoencoder for molecular graph generation
Wengong Jin, Regina Barzilay, and Tommi Jaakkola · 2018
Later among the works it cites.
alphaXiv searches the wider corpus for related work and actual follow-ups.
alphaXiv is searching for related work…
Cited alongside, same era.
Residual gated graph convnets
Xavier Bresson and Thomas Laurent · 2018
Cited alongside, same era.
Yujia Li, Oriol Vinyals, Chris Dyer, Razvan Pascanu, and Peter Battaglia · 2018
Later among the works it cites.
Graphvae: Towards generation of small graphs using variational autoencoders
Martin Simonovsky and Nikos Komodakis · 2018
Later among the works it cites.
Graph convolutional policy network for goal-directed molecular graph generation
Jiaxuan You, Bowen Liu, Zhitao Ying, Vijay Pande, and Jure Leskovec · 2018
Later among the works it cites.