Self-Improved Retrosynthetic Planning

Self-Improved Retrosynthetic Planning

9 June 2021

Papers citing "Self-Improved Retrosynthetic Planning"

18 / 18 papers shown

Title
RetroGNN: Approximating Retrosynthesis by Graph Neural Networks for De Novo Drug Design Cheng-Hao Liu Maksym Korablyov Stanislaw Jastrzebski Pawel Wlodarczyk-Pruszynski Yoshua Bengio Marwin H. S. Segler GNN 54 16 0 25 Nov 2020
RetroXpert: Decompose Retrosynthesis Prediction like a Chemist Chao-chao Yan Qianggang Ding P. Zhao Shuangjia Zheng Jinyu Yang Yang Yu Junzhou Huang 52 107 0 04 Nov 2020
Retro: Learning Retrosynthetic Planning with Neural Guided A Search Binghong Chen Chengtao Li H. Dai Le Song 39 108 0 29 Jun 2020
A Graph to Graphs Framework for Retrosynthesis Prediction Chence Shi Minkai Xu Hongyu Guo Ming Zhang Jian Tang 39 153 0 28 Mar 2020
Retrosynthesis Prediction with Conditional Graph Logic Network H. Dai Chengtao Li Connor W. Coley Bo Dai Le Song 49 182 0 06 Jan 2020
Policy Gradient Search: Online Planning and Expert Iteration without Search Trees Thomas W. Anthony Robert Nishihara Philipp Moritz Tim Salimans John Schulman 63 30 0 07 Apr 2019
Learning to Plan in High Dimensions via Neural Exploration-Exploitation Trees Binghong Chen Bo Dai Qinjie Lin Guo Ye Han Liu Le Song 55 52 0 28 Feb 2019
Graph Transformation Policy Network for Chemical Reaction Prediction Kien Do T. Tran Svetha Venkatesh 104 162 0 22 Dec 2018
Molecular Transformer - A Model for Uncertainty-Calibrated Chemical Reaction Prediction P. Schwaller Teodoro Laino John McGuinness A. Horváth Constantine Bekas A. Lee 103 737 0 06 Nov 2018
A Generative Model For Electron Paths John Bradshaw Matt J. Kusner Brooks Paige Marwin H. S. Segler José Miguel Hernández-Lobato 51 56 0 23 May 2018
Learning to Search via Retrospective Imitation Jialin Song Ravi Lanka Albert Zhao Aadyot Bhatnagar Yisong Yue M. Ono OffRL 39 32 0 03 Apr 2018
"Found in Translation": Predicting Outcomes of Complex Organic Chemistry Reactions using Neural Sequence-to-Sequence Models P. Schwaller T. Gaudin D. Lanyi C. Bekas Teodoro Laino 70 281 0 13 Nov 2017
Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network Wengong Jin Connor W. Coley Regina Barzilay Tommi Jaakkola 65 274 0 13 Sep 2017
Learning to Plan Chemical Syntheses Marwin H. S. Segler Mike Preuss M. Waller 70 1,371 0 14 Aug 2017
Retrosynthetic reaction prediction using neural sequence-to-sequence models Bowen Liu Bharath Ramsundar Prasad Kawthekar Jade Shi Joseph Gomes Quang Luu Nguyen Stephen Ho Jack L. Sloane P. Wender Vijay S. Pande 53 418 0 06 Jun 2017
Thinking Fast and Slow with Deep Learning and Tree Search Thomas W. Anthony Zheng Tian David Barber 85 395 0 23 May 2017
Adam: A Method for Stochastic Optimization Diederik P. Kingma Jimmy Ba ODL 1.3K 149,842 0 22 Dec 2014
A Reduction of Imitation Learning and Structured Prediction to No-Regret Online Learning Stéphane Ross Geoffrey J. Gordon J. Andrew Bagnell OffRL 192 3,211 0 02 Nov 2010