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. Author manuscript; available in PMC: 2016 Jan 25.
Published in final edited form as: Chem Sci. 2014 Jun 30;5:3583–3590. doi: 10.1039/C4SC01443J

Table 1.

Scaffold frequency among the virtual hit list

Scaffold Occurrence in top-ranked compounds Overall occurrence in database Fold enrichment in top-ranked compounds
graphic file with name emss-66729-t0005.jpg 10.4% 2.6% 4
graphic file with name emss-66729-t0006.jpg 6.6% 0.4% 17
graphic file with name emss-66729-t0007.jpg 7.9% 0.05% 17
graphic file with name emss-66729-t0008.jpg 2.2% 0.005% 45