37 citations · 61 across the 5 of their papers we have counts for
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physics.chem-ph2023★ 1 cited
Doubly Stochastic Graph-based Non-autoregressive Reaction Prediction
Ziqiao Meng, Peilin Zhao, Yang Yu +1
Organic reaction prediction is a critical task in drug discovery. Recently, researchers have achieved non-autoregressive reaction prediction by modeling the redistribution of elect…
physics.chem-ph2021★ 37 cited
RetroComposer: Composing Templates for Template-Based Retrosynthesis Prediction
Chaochao Yan, Peilin Zhao, Chan Lu +2
The main target of retrosynthesis is to recursively decompose desired molecules into available building blocks. Existing template-based retrosynthesis methods follow a template sel…