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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 110 of 110 papers

TitleStatusHype
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
NatureLM: Deciphering the Language of Nature for Scientific Discovery0
Retro-Rank-In: A Ranking-Based Approach for Inorganic Materials Synthesis Planning0
Enhancing Retrosynthesis with Conformer: A Template-Free Method0
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