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Figure 7 | Journal of Cheminformatics

Figure 7

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

Figure 7

Figure shows the plot of the 3DZD invariants for the case where SIMCOMP outperformed the two moment based methods. The query is shown in black as solid line. I1, I2 and I3 refer to the top-ranking inactives ranked 1,2 and 3 and represented by solid lines. Those shown as dashed lines i.e. AC1, AC2 are the actives retrieved by the 3DZD correlation coefficient measure, AE1, AE2 the actives retrieved by the 3DZD (DE) and AM1 by the 3DZD (DM). Compared to the actives, moment invariants of the inactives seem to follow a more similar trend as compared to that of the query resulting in their being ranked at the top of the list.

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