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. 2023 Mar 1;14(12):3235–3246. doi: 10.1039/d2sc06798f

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