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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 4150 of 110 papers

TitleStatusHype
Node-Aligned Graph-to-Graph (NAG2G): Elevating Template-Free Deep Learning Approaches in Single-Step RetrosynthesisCode1
MotifRetro: Exploring the Combinability-Consistency Trade-offs in retrosynthesis via Dynamic Motif EditingCode1
G^2Retro as a Two-Step Graph Generative Models for Retrosynthesis PredictionCode1
Directly Optimizing for Synthesizability in Generative Molecular Design using Retrosynthesis ModelsCode0
DiffER: Categorical Diffusion for Chemical RetrosynthesisCode0
A Self-feedback Knowledge Elicitation Approach for Chemical Reaction PredictionsCode0
Retro-BLEU: Quantifying Chemical Plausibility of Retrosynthesis Routes through Reaction Template Sequence AnalysisCode0
RetroComposer: Composing Templates for Template-Based Retrosynthesis PredictionCode0
Leveraging Large Language Models for enzymatic reaction prediction and characterizationCode0
Predicting Retrosynthetic Reaction using Self-Corrected Transformer Neural NetworksCode0
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