NAG2G (reaction class as prior)

Reported on 4 benchmarks across 1 task · 1 paper · 4 SOTA

Note: results are matched by exact model name. Different papers may use the same name for different model variants.

Medical4 results

Single-step retrosynthesisonUSPTO-50k
Top-1 accuracy· 2023-09-27
67.2
SOTA
Node-Aligned Graph-to-Graph (NAG2G): Elevating Template-Free Deep Learning Approaches in Single-Step Retrosynthesis arXiv:2309.15798
Single-step retrosynthesisonUSPTO-50k
Top-10 accuracy· 2023-09-27
93.8
best: 96.9 (O-GNN (reaction class as prior))
SOTA
Node-Aligned Graph-to-Graph (NAG2G): Elevating Template-Free Deep Learning Approaches in Single-Step Retrosynthesis arXiv:2309.15798
Single-step retrosynthesisonUSPTO-50k
Top-3 accuracy· 2023-09-27
86.4
best: 87.7 (O-GNN (reaction class as prior))
SOTA
Node-Aligned Graph-to-Graph (NAG2G): Elevating Template-Free Deep Learning Approaches in Single-Step Retrosynthesis arXiv:2309.15798
Single-step retrosynthesisonUSPTO-50k
Top-5 accuracy· 2023-09-27
90.5
best: 93.4 (O-GNN (reaction class as prior))
SOTA
Node-Aligned Graph-to-Graph (NAG2G): Elevating Template-Free Deep Learning Approaches in Single-Step Retrosynthesis arXiv:2309.15798