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. 2014 Sep 24;3(9):e137. doi: 10.1038/psp.2014.35

Figure 3.

Figure 3

Examples of some drug pairs retrieved by the 3D molecular structure similarity models for the different ADE outcomes. In each pair, a drug is in the leave-one-out test and the other drug is the most similar drug in the ADE reference standard (positive controls). Carbon atoms in each pair are represented in gray and green.