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. 2021 Aug 26;61(9):4807–4818. doi: 10.1021/acs.jcim.1c00796

Figure 7.

Figure 7

Success rate of the shape- and pharmacophore-based protocol on DUD-E complexes (49 and 59, respectively) that match two criteria: (1) the similarity coefficient between the template and the reference compounds is higher than 0.4 and 0.3, respectively, and (2) the difference in heavy atom molecular weight is below 50 g·mol–1.