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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
Permutation invariant graph-to-sequence model for template-free retrosynthesis and reaction predictionCode1
Motif-based Graph Self-Supervised Learning for Molecular Property PredictionCode1
RetroPrime: A Diverse, plausible and Transformer-based method for Single-Step retrosynthesis predictionsCode1
Deep Retrosynthetic Reaction Prediction using Local Reactivity and Global AttentionCode1
Dual-view Molecule Pre-trainingCode1
Modern Hopfield Networks for Few- and Zero-Shot Reaction Template PredictionCode1
RetroXpert: Decompose Retrosynthesis Prediction like a ChemistCode1
Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph EditsCode1
Learning Graph Models for Retrosynthesis PredictionCode1
A Bayesian algorithm for retrosynthesisCode1
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