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Retrosynthesis with Attention-Based NMT Model and Chemical Analysis of
  the "Wrong" Predictions

Retrosynthesis with Attention-Based NMT Model and Chemical Analysis of the "Wrong" Predictions

2 August 2019
H. Duan
Ling Wang
Chengyun Zhang
Jianjun Li
ArXiv (abs)PDFHTML

Papers citing "Retrosynthesis with Attention-Based NMT Model and Chemical Analysis of the "Wrong" Predictions"

4 / 4 papers shown
G-MATT: Single-step Retrosynthesis Prediction using Molecular Grammar
  Tree Transformer
G-MATT: Single-step Retrosynthesis Prediction using Molecular Grammar Tree TransformerAIChE Journal (AIChE J.), 2023
K. Zhang
Vipul Mann
V. Venkatasubramanian
327
8
0
04 May 2023
Modeling Diverse Chemical Reactions for Single-step Retrosynthesis via
  Discrete Latent Variables
Modeling Diverse Chemical Reactions for Single-step Retrosynthesis via Discrete Latent VariablesInternational Conference on Information and Knowledge Management (CIKM), 2022
Huarui He
Jie Wang
Yunfei Liu
Feng Wu
BDL
184
11
0
10 Aug 2022
Permutation invariant graph-to-sequence model for template-free
  retrosynthesis and reaction prediction
Permutation invariant graph-to-sequence model for template-free retrosynthesis and reaction prediction
Zhengkai Tu
Connor W. Coley
258
142
0
19 Oct 2021
Predicting retrosynthetic pathways using a combined linguistic model and
  hyper-graph exploration strategy
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
240
17
0
17 Oct 2019
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