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Figure 6 | Journal of Cheminformatics

Figure 6

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

Figure 6

Figure illustrates the case where the SIMCOMP performs better than 3DZD and USR in retrieving more actives in the top 100. The query is indicated at the top of the figure. Active molecules are identified as those with numbers (in bold) which indicate the ranks. The first three molecules in each column are the top ranked molecules and the last two molecules are active molecules found in the two next highest ranks. Detailed information about the molecules is found at the lab web site.

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