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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
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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
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
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
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
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
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
Ziqiao Meng
Peilin Zhao
Yang Yu
Irwin King
32
8
0
28 Jun 2023
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
Gao Huang
Zhuang Liu
L. V. D. van der Maaten
Kilian Q. Weinberger
PINN
3DV
255
36,362
0
25 Aug 2016
1