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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 76–100 of 110 papers

TitleStatusHype
A Unified View of Deep Learning for Reaction and Retrosynthesis Prediction: Current Status and Future Challenges—0
Retrosynthesis Prediction with Local Template Retrieval—0
G-MATT: Single-step Retrosynthesis Prediction using Molecular Grammar Tree Transformer—0
Deep Learning Methods for Small Molecule Drug Discovery: A Survey—0
RCsearcher: Reaction Center Identification in Retrosynthesis via Deep Q-Learning—0
Recent advances in artificial intelligence for retrosynthesis—0
Mind the Retrosynthesis Gap: Bridging the divide between Single-step and Multi-step Retrosynthesis Prediction—0
MARS: A Motif-based Autoregressive Model for Retrosynthesis Prediction—0
Quantum Machine Learning for Material Synthesis and Hardware Security—0
G2GT: Retrosynthesis Prediction with Graph to Graph Attention Neural Network and Self-TrainingCode0
SemiRetro: Semi-template framework boosts deep retrosynthesis prediction—0
RetroComposer: Composing Templates for Template-Based Retrosynthesis PredictionCode0
Towards understanding retrosynthesis by energy-based models—0
Human-in-the-loop for a Disconnection Aware Retrosynthesis—0
ChemiRise: a data-driven retrosynthesis engine—0
Learning Graph Models for Template-Free Retrosynthesis—0
BioNavi-NP: Biosynthesis Navigator for Natural Products—0
RetCL: A Selection-based Approach for Retrosynthesis via Contrastive Learning—0
PolyRetro: Few-shot Polymer Retrosynthesis via Domain Adaptation—0
RetroGNN: Approximating Retrosynthesis by Graph Neural Networks for De Novo Drug Design—0
Data Transfer Approaches to Improve Seq-to-Seq Retrosynthesis—0
Energy-based View of Retrosynthesis—0
CogMol: Target-Specific and Selective Drug Design for COVID-19 Using Deep Generative Models—0
A Graph to Graphs Framework for Retrosynthesis Prediction—0
Value-Added Chemical Discovery Using Reinforcement Learning—0
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