PubChem structure–activity relationship (SAR) clusters

Sunghwan Kim; Lianyi Han; Bo Yu; Volker D Hähnke; Evan E Bolton; Stephen H Bryant

doi:10.1186/s13321-015-0070-x

Figure 10

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ComboT ^CT-opt and 2-D clusters for aryl hydrocarbon receptor (AhR; GI 29337198). CID 15625 (2,3,7,8-Tetrachlorodibenzo-p-dioxin, also known as TCDD) is tested in two different publications. The numbers in the squares correspond to the CIDs. The colors of the squares indicate the publications where data were obtained.