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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
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
A Bayesian algorithm for retrosynthesisCode1
GDiffRetro: Retrosynthesis Prediction with Dual Graph Enhanced Molecular Representation and Diffusion GenerationCode1
Motif-based Graph Self-Supervised Learning for Molecular Property PredictionCode1
DirectMultiStep: Direct Route Generation for Multi-Step RetrosynthesisCode1
ImDrug: A Benchmark for Deep Imbalanced Learning in AI-aided Drug DiscoveryCode1
Dual-view Molecule Pre-trainingCode1
ChatGPT-powered Conversational Drug Editing Using Retrieval and Domain FeedbackCode1
Leveraging Large Language Models as Knowledge-Driven Agents for Reliable Retrosynthesis PlanningCode1
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