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Table 6 Enrichment factor computed on the test set with 1%, 2%, and 5% active/inactive proportion respectively

From: Convolutional architectures for virtual screening

Active/inactive proportion

EF 1%

EF 2%

EF 5

1% (8 active molecules)

4(50%)

2% (16 active molecules)

7(87.5%)

7(43.5%)

5% (41 active molecules)

4(50%)

8(50%)

20(48.7%)