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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 8190 of 110 papers

TitleStatusHype
RetCL: A Selection-based Approach for Retrosynthesis via Contrastive Learning0
RetroGNN: Approximating Retrosynthesis by Graph Neural Networks for De Novo Drug Design0
RetroOOD: Understanding Out-of-Distribution Generalization in Retrosynthesis Prediction0
Retro-prob: Retrosynthetic Planning Based on a Probabilistic Model0
Retro-Rank-In: A Ranking-Based Approach for Inorganic Materials Synthesis Planning0
RETRO SYNFLOW: Discrete Flow Matching for Accurate and Diverse Single-Step Retrosynthesis0
Retrosynthesis prediction enhanced by in-silico reaction data augmentation0
Retrosynthesis Prediction via Search in (Hyper) Graph0
Retrosynthesis Prediction with Local Template Retrieval0
Retrosynthesis with Attention-Based NMT Model and Chemical Analysis of the "Wrong" Predictions0
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