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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
State-of-the-Art Augmented NLP Transformer models for direct and single-step retrosynthesisCode1
Retrosynthesis Prediction with Conditional Graph Logic NetworkCode1
A Model to Search for Synthesizable MoleculesCode1
DeepRetro: Retrosynthetic Pathway Discovery using Iterative LLM Reasoning0
RETRO SYNFLOW: Discrete Flow Matching for Accurate and Diverse Single-Step Retrosynthesis0
DiffER: Categorical Diffusion for Chemical RetrosynthesisCode0
LLM-Augmented Chemical Synthesis and Design Decision Programs0
Leveraging Large Language Models for enzymatic reaction prediction and characterizationCode0
Enhancing Chemical Reaction and Retrosynthesis Prediction with Large Language Model and Dual-task Learning0
Chemical knowledge-informed framework for privacy-aware retrosynthesis learning0
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