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Figure 11 | Journal of Cheminformatics

Figure 11

From: PubChem3D: Similar conformers

Figure 11

Shape fingerprint design. Plot of conformer count (blue line) [left Y-axis], cumulative % conformers (red line) [right Y-axis], unique-shape Tanimoto (green line) [right Y-axis], and fingerprint Tanimoto (purple line) [right Y-axis] as a function of conformer volume (Å3). The fingerprint Tanimoto indicates the seven volume regions of the reference shape and its corresponding ST minimum distance between reference shapes.

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