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Figure 6 | Journal of Cheminformatics

Figure 6

From: PubChem3D: Similar conformers

Figure 6

Similarity score matrix for selected non-steroidal anti-inflammatory drugs. The lower triangle of the score matrix corresponds to the 2-D similarity scores computed using the PubChem fingerprint, and the upper triangle corresponds to the 3-D similarity ST/CT scores. The matrix elements in red indicate the 2-D "Similar Compounds" (with a 2-D score of ≥ 0.9) or 3-D "Similar Conformers" (with a 3-D score of ST ≥ 0.8 and CT ≥ 0.5). The first ten diverse conformers were used for each molecule.

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