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Figure 14 | Journal of Cheminformatics

Figure 14

From: PubChem3D: Biologically relevant 3-D similarity

Figure 14

2-D similarity isolates related chemical series. Dendrogram from the PubChem Structure Clustering tool for 88 of the 92 noninactive pairs from AID 2230 showing two primary clusters (containing 51 and 31 compounds, respectively) at 0.8 Tanimoto using 2-D similarity. Note that all but one compound is related above 0.7 Tanimoto.

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