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. 2020 Nov 4;11:5575. doi: 10.1038/s41467-020-19266-y

Table 3.

Prediction accuracy for direct reaction from USPTO-MIT test set using beam size = 10.

Test set x1 Test set x20 Test set x100
Training set Top-1 Top-5 Top-10 Top-1 Top-5 Top-10 Top-1 Top-5 Top-10
x5N (separated) 91.1 96.3 96.7 91.8 96.9 97.3 91.9 97 97.4
x5S (mixed) 90 95.8 96.2 90.4 96.4 96.9 90.4 96.5 97
x5M (mixed) 90 95.5 95.7 90.2 96.1 96.5 90.2 96.2 96.8