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. 2012 Oct 9;55(20):8926–8942. doi: 10.1021/jm301210j

Figure 2.

Figure 2

Examples of gyrase ligands in the initial training set, which contained the first 39 made from a total of 426 gyrase inhibitors (both pKi and synthetic sequence number are given). Training molecule activities ranged from a pKi of 8.2 to 4.7. The 3 most active compounds of the training set (boxed) were used to generate the initial alignment hypotheses.