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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 6170 of 110 papers

TitleStatusHype
Preference Optimization for Molecule Synthesis with Conditional Residual Energy-based ModelsCode0
Equivariant Denoisers Cannot Copy Graphs: Align Your Graph Diffusion ModelsCode0
Retro-prob: Retrosynthetic Planning Based on a Probabilistic Model0
A Self-feedback Knowledge Elicitation Approach for Chemical Reaction PredictionsCode0
Assessing the Extrapolation Capability of Template-Free Retrosynthesis Models0
Retrosynthesis Prediction via Search in (Hyper) Graph0
Retrosynthesis prediction enhanced by in-silico reaction data augmentation0
T-Rex: Text-assisted Retrosynthesis PredictionCode0
RetroOOD: Understanding Out-of-Distribution Generalization in Retrosynthesis Prediction0
RetroDiff: Retrosynthesis as Multi-stage Distribution Interpolation0
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