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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 3140 of 110 papers

TitleStatusHype
ReactXT: Understanding Molecular "Reaction-ship" via Reaction-Contextualized Molecule-Text PretrainingCode1
Retrieval-Retro: Retrieval-based Inorganic Retrosynthesis with Expert KnowledgeCode1
A Bayesian algorithm for retrosynthesisCode1
GDiffRetro: Retrosynthesis Prediction with Dual Graph Enhanced Molecular Representation and Diffusion GenerationCode1
State-of-the-Art Augmented NLP Transformer models for direct and single-step retrosynthesisCode1
Leveraging Large Language Models as Knowledge-Driven Agents for Reliable Retrosynthesis PlanningCode1
Leveraging Reaction-aware Substructures for Retrosynthesis AnalysisCode1
ImDrug: A Benchmark for Deep Imbalanced Learning in AI-aided Drug DiscoveryCode1
Improving Few- and Zero-Shot Reaction Template Prediction Using Modern Hopfield NetworksCode1
Retro-fallback: retrosynthetic planning in an uncertain worldCode1
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