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MechRetro is a chemical-mechanism-driven graph learning framework for
  interpretable retrosynthesis prediction and pathway planning

MechRetro is a chemical-mechanism-driven graph learning framework for interpretable retrosynthesis prediction and pathway planning

6 October 2022
Yu Wang
Chao Pang
Yuzhe Wang
Yi Jiang
Junru Jin
Sirui Liang
Q. Zou
Leyi Wei
ArXivPDFHTML

Papers citing "MechRetro is a chemical-mechanism-driven graph learning framework for interpretable retrosynthesis prediction and pathway planning"

2 / 2 papers shown
Title
Enhancing Chemical Reaction and Retrosynthesis Prediction with Large Language Model and Dual-task Learning
Enhancing Chemical Reaction and Retrosynthesis Prediction with Large Language Model and Dual-task Learning
Xuan Lin
Qingrui Liu
Hongxin Xiang
Daojian Zeng
Xiangxiang Zeng
40
0
0
05 May 2025
DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis
DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis
Yu Shee
Haote Li
Anton Morgunov
Victor S. Batista
46
1
0
22 May 2024
1