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. 2018 Nov 21;3(11):15837–15849. doi: 10.1021/acsomega.8b01843

Table 5. Top 10 Fingerprints Sorted by F-Score and the Representative Substructures.

graphic file with name ao-2018-01843g_0006.jpg

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a

Frequency of the substructure appeared in inhibitors.

b

Frequency of the substructure appeared in weakly inhibitors.

c

The difference value of (a) and (b).