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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 1120 of 110 papers

TitleStatusHype
DirectMultiStep: Direct Route Generation for Multi-Step RetrosynthesisCode1
UAlign: Pushing the Limit of Template-free Retrosynthesis Prediction with Unsupervised SMILES AlignmentCode1
Predictive Chemistry Augmented with Text RetrievalCode1
Re-evaluating Retrosynthesis Algorithms with SyntheseusCode1
Retro-fallback: retrosynthetic planning in an uncertain worldCode1
Node-Aligned Graph-to-Graph (NAG2G): Elevating Template-Free Deep Learning Approaches in Single-Step RetrosynthesisCode1
RetroBridge: Modeling Retrosynthesis with Markov BridgesCode1
ChatGPT-powered Conversational Drug Editing Using Retrieval and Domain FeedbackCode1
MotifRetro: Exploring the Combinability-Consistency Trade-offs in retrosynthesis via Dynamic Motif EditingCode1
O-GNN: Incorporating Ring Priors into Molecular ModelingCode1
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