Figure 4
From: Application of 3D Zernike descriptors to shape-based ligand similarity searching
Performance of the 3DZD, USR, MACCS, and the atom count methods on the 13 targets of the DUD dataset (Table 1). Three evaluation metrics are used: A, BEDROC (α = 32.2); B, EF5%; C, AUCROC. For the 3DZD, the order of 12 and the correlation coefficient is used as the distance metric. For the USR, the order of 16 and the correlation coefficient is used as the distance metric. The color code of the bars: red, 3DZD; blue, USR; green, MACCS; and purple, Atom count.