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FusionRetro: Molecule Representation Fusion via In-Context Learning for
  Retrosynthetic Planning

FusionRetro: Molecule Representation Fusion via In-Context Learning for Retrosynthetic Planning

30 September 2022
Songtao Liu
Zhengkai Tu
Minkai Xu
Zuobai Zhang
Lu Lin
Rex Ying
Jian Tang
Peilin Zhao
Dinghao Wu
ArXivPDFHTML

Papers citing "FusionRetro: Molecule Representation Fusion via In-Context Learning for Retrosynthetic Planning"

8 / 8 papers shown
Title
Double-Ended Synthesis Planning with Goal-Constrained Bidirectional
  Search
Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search
Kevin Yu
Jihye Roh
Ziang Li
Wenhao Gao
Runzhong Wang
Connor W. Coley
34
5
0
08 Jul 2024
Alignment is Key for Applying Diffusion Models to Retrosynthesis
Alignment is Key for Applying Diffusion Models to Retrosynthesis
Najwa Laabid
Severi Rissanen
Markus Heinonen
Arno Solin
Vikas K. Garg
DiffM
31
1
0
27 May 2024
DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis
DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis
Yu Shee
Haote Li
Anton Morgunov
Victor S. Batista
48
1
0
22 May 2024
Retro-BLEU: Quantifying Chemical Plausibility of Retrosynthesis Routes
  through Reaction Template Sequence Analysis
Retro-BLEU: Quantifying Chemical Plausibility of Retrosynthesis Routes through Reaction Template Sequence Analysis
Junren Li
Lei Fang
Jian-Guang Lou
31
2
0
08 Nov 2023
Neural Atoms: Propagating Long-range Interaction in Molecular Graphs
  through Efficient Communication Channel
Neural Atoms: Propagating Long-range Interaction in Molecular Graphs through Efficient Communication Channel
Xuan Li
Zhanke Zhou
Jiangchao Yao
Yu Rong
Lu Zhang
Bo Han
37
3
0
02 Nov 2023
A Unified View of Deep Learning for Reaction and Retrosynthesis
  Prediction: Current Status and Future Challenges
A Unified View of Deep Learning for Reaction and Retrosynthesis Prediction: Current Status and Future Challenges
Ziqiao Meng
Peilin Zhao
Yang Yu
Irwin King
32
8
0
28 Jun 2023
Globally Interpretable Graph Learning via Distribution Matching
Globally Interpretable Graph Learning via Distribution Matching
Yi Nian
Yurui Chang
Wei Jin
Lu Lin
OOD
58
4
0
18 Jun 2023
Densely Connected Convolutional Networks
Densely Connected Convolutional Networks
Gao Huang
Zhuang Liu
L. V. D. van der Maaten
Kilian Q. Weinberger
PINN
3DV
255
36,362
0
25 Aug 2016
1