Chemformer-Large (reaction class unknown)

Reported on 3 benchmarks across 1 task

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

Medical3 results

Single-step retrosynthesisonUSPTO-50k
Top-1 accuracy
54.3
best: 67.2 (NAG2G (reaction class as prior))
Single-step retrosynthesisonUSPTO-50k
Top-10 accuracy
63
best: 96.9 (O-GNN (reaction class as prior))
Single-step retrosynthesisonUSPTO-50k
Top-5 accuracy
62.3
best: 93.4 (O-GNN (reaction class as prior))