Linking the Neural Machine Translation and the Prediction of Organic Chemistry Reactions

29 December 2016

Papers citing "Linking the Neural Machine Translation and the Prediction of Organic Chemistry Reactions"

10 / 10 papers shown

Title
G-MATT: Single-step Retrosynthesis Prediction using Molecular Grammar Tree Transformer K. Zhang Vipul Mann V. Venkatasubramanian 27 7 0 04 May 2023
Root-aligned SMILES: A Tight Representation for Chemical Reaction Prediction Zipeng Zhong Mingli Song Zunlei Feng Tiantao Liu Lingxiang Jia Shaolun Yao Min-Ying Wu Tingjun Hou Mingli Song 34 53 0 22 Mar 2022
Permutation invariant graph-to-sequence model for template-free retrosynthesis and reaction prediction Zhengkai Tu Connor W. Coley 30 90 0 19 Oct 2021
State-of-the-Art Augmented NLP Transformer models for direct and single-step retrosynthesis Igor V. Tetko Pavel Karpov R. V. Deursen Guillaume Godin 19 6 0 05 Mar 2020
Predicting retrosynthetic pathways using a combined linguistic model and hyper-graph exploration strategy P. Schwaller Riccardo Petraglia Valerio Zullo Vishnu H. Nair Rico Häuselmann Riccardo Pisoni C. Bekas A. Iuliano Teodoro Laino 14 17 0 17 Oct 2019
Graph Transformation Policy Network for Chemical Reaction Prediction Kien Do T. Tran Svetha Venkatesh 30 158 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 36 719 0 06 Nov 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 42 276 0 13 Nov 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 25 411 0 06 Jun 2017
Google's Neural Machine Translation System: Bridging the Gap between Human and Machine Translation Yonghui Wu M. Schuster Zhehuai Chen Quoc V. Le Mohammad Norouzi ... Alex Rudnick Oriol Vinyals G. Corrado Macduff Hughes J. Dean AIMat 718 6,748 0 26 Sep 2016