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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 6170 of 110 papers

TitleStatusHype
FusionRetro: Molecule Representation Fusion via In-Context Learning for Retrosynthetic PlanningCode1
MARS: A Motif-based Autoregressive Model for Retrosynthesis Prediction0
ImDrug: A Benchmark for Deep Imbalanced Learning in AI-aided Drug DiscoveryCode1
Quantum Machine Learning for Material Synthesis and Hardware Security0
Modeling Diverse Chemical Reactions for Single-step Retrosynthesis via Discrete Latent VariablesCode1
G^2Retro as a Two-Step Graph Generative Models for Retrosynthesis PredictionCode1
G2GT: Retrosynthesis Prediction with Graph to Graph Attention Neural Network and Self-TrainingCode0
Leveraging Reaction-aware Substructures for Retrosynthesis AnalysisCode1
Root-aligned SMILES: A Tight Representation for Chemical Reaction PredictionCode1
SemiRetro: Semi-template framework boosts deep retrosynthesis prediction0
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