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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 7180 of 110 papers

TitleStatusHype
Chemformer: a pre-trained transformer for computational chemistryCode2
Retroformer: Pushing the Limits of Interpretable End-to-end Retrosynthesis TransformerCode1
Improving Few- and Zero-Shot Reaction Template Prediction Using Modern Hopfield NetworksCode1
RetroComposer: Composing Templates for Template-Based Retrosynthesis PredictionCode0
Towards understanding retrosynthesis by energy-based models0
Permutation invariant graph-to-sequence model for template-free retrosynthesis and reaction predictionCode1
Motif-based Graph Self-Supervised Learning for Molecular Property PredictionCode1
Human-in-the-loop for a Disconnection Aware Retrosynthesis0
RetroPrime: A Diverse, plausible and Transformer-based method for Single-Step retrosynthesis predictionsCode1
ChemiRise: a data-driven retrosynthesis engine0
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