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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
Predictive Chemistry Augmented with Text RetrievalCode1
ReactXT: Understanding Molecular "Reaction-ship" via Reaction-Contextualized Molecule-Text PretrainingCode1
RetroBridge: Modeling Retrosynthesis with Markov BridgesCode1
Enhancing Chemical Reaction and Retrosynthesis Prediction with Large Language Model and Dual-task Learning0
Energy-based View of Retrosynthesis0
ASKCOS: an open source software suite for synthesis planning0
BioNavi-NP: Biosynthesis Navigator for Natural Products0
Models Matter: The Impact of Single-Step Retrosynthesis on Synthesis Planning0
BatGPT-Chem: A Foundation Large Model For Retrosynthesis Prediction0
MARS: A Motif-based Autoregressive Model for Retrosynthesis Prediction0
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