The performance of the transformer for reagent prediction on the test set obtained from Reaxys. All scores are given in percentage points.
Metric | Top-1 | Top-2 | Top-3 | Top-4 | Top-5 |
---|---|---|---|---|---|
Exact match accuracy | 17.0 | 24.7 | 29.2 | 31.8 | 33.5 |
Full recall | 19.2 | 28.4 | 35.1 | 39.3 | 42.8 |
Partial match accuracy | 70.9 | 80.5 | 84.9 | 87.3 | 88.9 |