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. 2021 May 6;57(48):5909–5912. doi: 10.1039/d1cc00050k

Enrichment factor for the time-split dataset, where we consider model performance on data arriving after the model has been deployed to generate compounds for synthesis and testing.

Percentile 1% 2.5% 10%
Enrichment factor 1.7 2.3 1.7