Graph2SMILES-D-GCN (reaction class unknown)

Reported on 4 benchmarks across 1 task · 1 paper

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· 2021-10-19
52.9
best: 67.2 (NAG2G (reaction class as prior))
Permutation invariant graph-to-sequence model for template-free retrosynthesis and reaction prediction arXiv:2110.09681
Single-step retrosynthesisonUSPTO-50k
Top-10 accuracy· 2021-10-19
72.9
best: 96.9 (O-GNN (reaction class as prior))
Permutation invariant graph-to-sequence model for template-free retrosynthesis and reaction prediction arXiv:2110.09681
Single-step retrosynthesisonUSPTO-50k
Top-3 accuracy· 2021-10-19
66.5
best: 87.7 (O-GNN (reaction class as prior))
Permutation invariant graph-to-sequence model for template-free retrosynthesis and reaction prediction arXiv:2110.09681
Single-step retrosynthesisonUSPTO-50k
Top-5 accuracy· 2021-10-19
70
best: 93.4 (O-GNN (reaction class as prior))
Permutation invariant graph-to-sequence model for template-free retrosynthesis and reaction prediction arXiv:2110.09681