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Table 3 Enrichment factor computed on the test set 1 (70 active molecules out of 701 compounds)

From: Convolutional architectures for virtual screening

Architecture

EF 1%

EF 2%

EF 5%

EF 10%

Tuned-MLP-Out

7(100%)

14(100%)

34(97.14%)

65(94.20%)

Voting

7(100%)

14(100%)

34(97.14%)

61(88.40%)

CNN 1D (M)

7(100%)

13(92.86%)

33(94.29%)

62(85.89%)

CNN 2D (R-M-F)

7(100%)

12(85.71%)

32(91.43%)

61(88.40%)

RF(F)

7(100%)

14(100%)

35(100%)

63(91.30%)

SVM(F)

7(100%)

14(100%)

35(100%)

61(88.40%)

  1. Fingerprint types: (R)DKIT,(M) organ, (F)eatMorgan,