O-GNN (reaction class as prior)

Reported on 5 benchmarks across 1 task

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

Medical5 results

Single-step retrosynthesisonUSPTO-50k
Top-1 accuracy
65.7
best: 67.2 (NAG2G (reaction class as prior))
Single-step retrosynthesisonUSPTO-50k
Top-10 accuracy
96.9
Single-step retrosynthesisonUSPTO-50k
Top-3 accuracy
87.7
Single-step retrosynthesisonUSPTO-50k
Top-5 accuracy
93.4
Single-step retrosynthesisonUSPTO-50k
Top-50 accuracy
98.3