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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 5160 of 110 papers

TitleStatusHype
Computer-Assisted Retrosynthesis Based on Molecular SimilarityCode0
Leveraging Large Language Models for enzymatic reaction prediction and characterizationCode0
RLSynC: Offline-Online Reinforcement Learning for Synthon CompletionCode0
A Self-feedback Knowledge Elicitation Approach for Chemical Reaction PredictionsCode0
Retro-BLEU: Quantifying Chemical Plausibility of Retrosynthesis Routes through Reaction Template Sequence AnalysisCode0
Equivariant Denoisers Cannot Copy Graphs: Align Your Graph Diffusion ModelsCode0
RetroComposer: Composing Templates for Template-Based Retrosynthesis PredictionCode0
Value-Added Chemical Discovery Using Reinforcement Learning0
Accelerating the inference of string generation-based chemical reaction models for industrial applications0
A Graph to Graphs Framework for Retrosynthesis Prediction0
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