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Self-Referencing Embedded Strings (SELFIES): A 100% robust molecular string representation

31 May 2019

Papers citing "Self-Referencing Embedded Strings (SELFIES): A 100% robust molecular string representation"

22 / 22 papers shown

Title
Deep learning for molecular design - a review of the state of the art Daniel C. Elton Zois Boukouvalas M. Fuge Peter W. Chung AI4CE 3DV 76 328 0 11 Mar 2019
Interpretable Deep Learning in Drug Discovery Kristina Preuer Günter Klambauer F. Rippmann Sepp Hochreiter Thomas Unterthiner 70 89 0 07 Mar 2019
A hybrid machine-learning algorithm for designing quantum experiments L. O'Driscoll R. Nichols P. Knott 36 49 0 07 Dec 2018
Large Scale GAN Training for High Fidelity Natural Image Synthesis Andrew Brock Jeff Donahue Karen Simonyan 271 5,404 0 28 Sep 2018
Constrained Generation of Semantically Valid Graphs via Regularizing Variational Autoencoders Tengfei Ma Jie Chen Cao Xiao 125 210 0 07 Sep 2018
Discovering physical concepts with neural networks Raban Iten Tony Metger H. Wilming L. D. Rio R. Renner PINN AI4CE 86 391 0 26 Jul 2018
Constrained Graph Variational Autoencoders for Molecule Design Qi Liu Miltiadis Allamanis Marc Brockschmidt Alexander L. Gaunt BDL 81 456 0 23 May 2018
Learning Deep Generative Models of Graphs Yujia Li Oriol Vinyals Chris Dyer Razvan Pascanu Peter W. Battaglia GNN AI4CE 198 662 0 08 Mar 2018
Syntax-Directed Variational Autoencoder for Structured Data H. Dai Yingtao Tian Bo Dai Steven Skiena Le Song 104 329 0 24 Feb 2018
NeVAE: A Deep Generative Model for Molecular Graphs Bidisha Samanta A. De G. Jana P. Chattaraj Niloy Ganguly Manuel Gomez Rodriguez GNN DRL BDL DiffM 65 218 0 14 Feb 2018
Isolating Sources of Disentanglement in Variational Autoencoders T. Chen Xuechen Li Roger C. Grosse David Duvenaud DRL 64 447 0 14 Feb 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 359 1,371 0 12 Feb 2018
GraphVAE: Towards Generation of Small Graphs Using Variational Autoencoders M. Simonovsky N. Komodakis GNN BDL 120 856 0 09 Feb 2018
Deep Reinforcement Learning for De-Novo Drug Design Mariya Popova Olexandr Isayev Alexander Tropsha 96 1,033 0 29 Nov 2017
Active learning machine learns to create new quantum experiments A. Melnikov Hendrik Poulsen Nautrup Mario Krenn Vedran Dunjko M. Tiersch A. Zeilinger Hans J. Briegel 55 264 0 02 Jun 2017
Objective-Reinforced Generative Adversarial Networks (ORGAN) for Sequence Generation Models G. L. Guimaraes Benjamín Sánchez-Lengeling Carlos Outeiral Pedro Luis Cunha Farias Alán Aspuru-Guzik GAN 87 525 0 30 May 2017
Evolution Strategies as a Scalable Alternative to Reinforcement Learning Tim Salimans Jonathan Ho Xi Chen Szymon Sidor Ilya Sutskever 117 1,544 0 10 Mar 2017
Grammar Variational Autoencoder Matt J. Kusner Brooks Paige José Miguel Hernández-Lobato BDL DRL 85 844 0 06 Mar 2017
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 J. Aguilera-Iparraguirre Timothy D. Hirzel Ryan P. Adams Alán Aspuru-Guzik 3DV 176 2,939 0 07 Oct 2016
WaveNet: A Generative Model for Raw Audio Aaron van den Oord Sander Dieleman Heiga Zen Karen Simonyan Oriol Vinyals Alex Graves Nal Kalchbrenner A. Senior Koray Kavukcuoglu DiffM 406 7,421 0 12 Sep 2016
Growing Graphs with Hyperedge Replacement Graph Grammars Salvador Aguiñaga Rodrigo Palácios David Chiang Tim Weninger 40 13 0 10 Aug 2016
Learning Phrase Representations using RNN Encoder-Decoder for Statistical Machine Translation Kyunghyun Cho B. V. Merrienboer Çağlar Gülçehre Dzmitry Bahdanau Fethi Bougares Holger Schwenk Yoshua Bengio AIMat 1.1K 23,396 0 03 Jun 2014