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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

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Showing 51–75 of 110 papers

TitleStatusHype
Computer-Assisted Retrosynthesis Based on Molecular SimilarityCode0
Leveraging Large Language Models for enzymatic reaction prediction and characterizationCode0
RLSynC: Offline-Online Reinforcement Learning for Synthon CompletionCode0
A Self-feedback Knowledge Elicitation Approach for Chemical Reaction PredictionsCode0
Retro-BLEU: Quantifying Chemical Plausibility of Retrosynthesis Routes through Reaction Template Sequence AnalysisCode0
Equivariant Denoisers Cannot Copy Graphs: Align Your Graph Diffusion ModelsCode0
RetroComposer: Composing Templates for Template-Based Retrosynthesis PredictionCode0
Value-Added Chemical Discovery Using Reinforcement Learning—0
Accelerating the inference of string generation-based chemical reaction models for industrial applications—0
A Graph to Graphs Framework for Retrosynthesis Prediction—0
ASKCOS: an open source software suite for synthesis planning—0
Assessing the Extrapolation Capability of Template-Free Retrosynthesis Models—0
A Unified View of Deep Learning for Reaction and Retrosynthesis Prediction: Current Status and Future Challenges—0
Automatic Retrosynthetic Pathway Planning Using Template-free Models—0
BatGPT-Chem: A Foundation Large Model For Retrosynthesis Prediction—0
BioNavi-NP: Biosynthesis Navigator for Natural Products—0
Chemical knowledge-informed framework for privacy-aware retrosynthesis learning—0
ChemiRise: a data-driven retrosynthesis engine—0
Chimera: Accurate retrosynthesis prediction by ensembling models with diverse inductive biases—0
Data Transfer Approaches to Improve Seq-to-Seq Retrosynthesis—0
Deep Learning Methods for Small Molecule Drug Discovery: A Survey—0
DeepRetro: Retrosynthetic Pathway Discovery using Iterative LLM Reasoning—0
Energy-based View of Retrosynthesis—0
Enhancing Chemical Reaction and Retrosynthesis Prediction with Large Language Model and Dual-task Learning—0
Enhancing Retrosynthesis with Conformer: A Template-Free Method—0
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