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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
Improving Few- and Zero-Shot Reaction Template Prediction Using Modern Hopfield NetworksCode1
Learning Graph Models for Retrosynthesis PredictionCode1
Deep Retrosynthetic Reaction Prediction using Local Reactivity and Global AttentionCode1
MechRetro is a chemical-mechanism-driven graph learning framework for interpretable retrosynthesis prediction and pathway planningCode1
G^2Retro as a Two-Step Graph Generative Models for Retrosynthesis PredictionCode1
DirectMultiStep: Direct Route Generation for Multi-Step RetrosynthesisCode1
A Bayesian algorithm for retrosynthesisCode1
Dual-view Molecule Pre-trainingCode1
ChatGPT-powered Conversational Drug Editing Using Retrieval and Domain FeedbackCode1
GDiffRetro: Retrosynthesis Prediction with Dual Graph Enhanced Molecular Representation and Diffusion GenerationCode1
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