Skip to main content

Advertisement

Table 1 Breakdown of the DUD dataset.

From: Application of 3D Zernike descriptors to shape-based ligand similarity searching

Target PDB Actives Decoys Decoys per active
angiotensin-converting enzyme (ace) 1o86 46 1796 39.04
acetylcholinesterase (ache) 1eve 100 3859 38.59
cyclin-dependent kinase 2(cdk2) 1ckp 47 2070 44.04
cyclooxygenase-2(cox2) 1cx2 212 12606 59.46
epidermal growth factor receptor(egfr) 1m17 365 15560 42.63
factor Xa(fxa) 1f0r 64 2092 32.69
HIV reverse transcriptase(hivrt) 1rt1 34 1494 43.94
enoyl ACP reductase(inha) 1p44 57 2707 47.49
P38 mitogen activated protein(p38) 1kv2 137 6779 49.48
phosphodiesterase(pde5) 1xp0 26 1698 65.31
platelet derived growth factor receptor kinase(pdgfrb) 1t46 124 5603 45.19
tyrosine kinase SRC(src) 2src 98 5679 57.95
vascular endothelial growth factor receptor(vegfr2) 1fgi 48 2712 56.5