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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 2130 of 110 papers

TitleStatusHype
Retrosynthetic Planning with Dual Value NetworksCode1
MechRetro is a chemical-mechanism-driven graph learning framework for interpretable retrosynthesis prediction and pathway planningCode1
FusionRetro: Molecule Representation Fusion via In-Context Learning for Retrosynthetic PlanningCode1
ImDrug: A Benchmark for Deep Imbalanced Learning in AI-aided Drug DiscoveryCode1
Modeling Diverse Chemical Reactions for Single-step Retrosynthesis via Discrete Latent VariablesCode1
G^2Retro as a Two-Step Graph Generative Models for Retrosynthesis PredictionCode1
Leveraging Reaction-aware Substructures for Retrosynthesis AnalysisCode1
Root-aligned SMILES: A Tight Representation for Chemical Reaction PredictionCode1
Retroformer: Pushing the Limits of Interpretable End-to-end Retrosynthesis TransformerCode1
Improving Few- and Zero-Shot Reaction Template Prediction Using Modern Hopfield NetworksCode1
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