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Figure 8 | Journal of Cheminformatics

Figure 8

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

Figure 8

Figure shows the plot of statistical moments generated by USR where the sixteen terms record the mean, variance, skewness and kurtosis of the interatomic distance distributions. The query is shown in black as solid line. The three top ranking inactives (I1, I2, I3) are shown as solid lines while the actives A1 and A2 which were ranked much lower are shown as dashed lines. The plot serves as example for the case where SIMCOMP outperformed the two moment based methods. Moments of the actives show larger deviations compared to the inactives thus affecting the retrieval rates.

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