Figure 4
The dendrogram of hierarchical clustering of 61 known compound structures with three major clusters. (a) 10 ERα agonists, (b) 11 ERα antagonists, (c) 10 TK and 14 NA inhibitors were grouped into one cluster due to their structure similarity. The descriptor was calculated using the tanimoto coefficient (0.55) via atom-pair representation. It grouped only compounds with similar structures, sorting them out from those with different structures.