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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 1120 of 110 papers

TitleStatusHype
ImDrug: A Benchmark for Deep Imbalanced Learning in AI-aided Drug DiscoveryCode1
G^2Retro as a Two-Step Graph Generative Models for Retrosynthesis PredictionCode1
Leveraging Large Language Models as Knowledge-Driven Agents for Reliable Retrosynthesis PlanningCode1
ChatGPT-powered Conversational Drug Editing Using Retrieval and Domain FeedbackCode1
State-of-the-Art Augmented NLP Transformer models for direct and single-step retrosynthesisCode1
Improving Few- and Zero-Shot Reaction Template Prediction Using Modern Hopfield NetworksCode1
A Bayesian algorithm for retrosynthesisCode1
Deep Retrosynthetic Reaction Prediction using Local Reactivity and Global AttentionCode1
A Model to Search for Synthesizable MoleculesCode1
Dual-view Molecule Pre-trainingCode1
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