SOTAVerified

Single-step retrosynthesis

Papers

Showing 2634 of 34 papers

TitleStatusHype
Energy-based View of Retrosynthesis0
Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph EditsCode1
A Graph to Graphs Framework for Retrosynthesis Prediction0
State-of-the-Art Augmented NLP Transformer models for direct and single-step retrosynthesisCode1
Retrosynthesis Prediction with Conditional Graph Logic NetworkCode1
Learning to Make Generalizable and Diverse Predictions for Retrosynthesis0
Molecular Graph Enhanced Transformer for Retrosynthesis Prediction0
Computer-Assisted Retrosynthesis Based on Molecular SimilarityCode0
Retrosynthetic reaction prediction using neural sequence-to-sequence modelsCode0
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Benchmark Results

#ModelMetricClaimedVerifiedStatus
1NAG2G (reaction class as prior)Top-1 accuracy67.2Unverified
2UAlign (reaction class as prior)Top-1 accuracy66.4Unverified
3MARS (reaction class as prior)Top-1 accuracy66.2Unverified
4RetroComposer (reaction class as prior)Top-1 accuracy65.9Unverified
5SemiRetro (reaction class as prior)Top-1 accuracy65.8Unverified
6O-GNN (reaction class as prior)Top-1 accuracy65.7Unverified
7Dual-TF (reaction class as prior)Top-1 accuracy65.7Unverified
8GraphRetro (reaction class as prior)Top-1 accuracy63.9Unverified
9LocalRetro (reaction class as prior)Top-1 accuracy63.9Unverified
10MEGAN (reaction class as prior)Top-1 accuracy60.7Unverified