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. 2013 May 14;53(5):1100–1112. doi: 10.1021/ci400100c

Figure 4.

Figure 4

Box and whisker plots depicting the similarity to the query compound 1 of compounds selected by virtual screening. SF molecule = similarity of compounds selected using the scaffold-focused virtual screen to the query molecule. WM molecule = similarity of compounds selected using the whole molecule virtual screen to the query molecule. SF scaffold = similarity of the level 1 scaffolds of compounds selected using the scaffold focused virtual screen to the query molecule. WM scaffold = similarity of the level 1 scaffolds of compounds selected using the whole molecule virtual screen to the query molecule. Box plots for the scaffold-focused virtual screen are shown in blue and box plots for the whole molecule virtual screen are shown in red.