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Retrosynthesis

Retrosynthetic analysis is a pivotal synthetic methodology in organic chemistry that employs a reverse-engineering approach, initiating from the target compound and retroactively tracing potential synthesis routes and precursor molecules. This technique proves instrumental in sculpting efficient synthetic strategies for intricate molecules, thus catalyzing the evolution and progression of novel pharmaceuticals and materials.

Papers

Showing 101110 of 110 papers

TitleStatusHype
T-Rex: Text-assisted Retrosynthesis PredictionCode0
G2GT: Retrosynthesis Prediction with Graph to Graph Attention Neural Network and Self-TrainingCode0
Predicting Retrosynthetic Reaction using Self-Corrected Transformer Neural NetworksCode0
Evolutionary Retrosynthetic Route PlanningCode0
RLSynC: Offline-Online Reinforcement Learning for Synthon CompletionCode0
DiffER: Categorical Diffusion for Chemical RetrosynthesisCode0
A Self-feedback Knowledge Elicitation Approach for Chemical Reaction PredictionsCode0
Equivariant Denoisers Cannot Copy Graphs: Align Your Graph Diffusion ModelsCode0
Leveraging Large Language Models for enzymatic reaction prediction and characterizationCode0
Computer-Assisted Retrosynthesis Based on Molecular SimilarityCode0
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