Skip to main content

Table 4 Enrichment factor computed on the test set 2 (80 active molecules out of 3720 compounds)

From: Convolutional architectures for virtual screening

Architecture (Training 2)

EF 1%

EF 2

Tuned-MLP-Out

37(100%)

65(87.84%)

Voting

32(86.5%)

57(66.9%)

CNN 1D (F)

31(83.8%)

52(70.3%)

CNN 2D (T-L-E)

31(83.8%

52(70.3%)

RF(F)

37(100%)

62(83.8%)

SVM(F)

32(86.5%)

55(74.3%)

  1. Fingerprint types: (F) eatMorgan, (L) ayered, (T) orsion, (E)CFP4