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. 2018 Apr 3;3(4):3768–3777. doi: 10.1021/acsomega.8b00344

Table 1. Exemplary Similarity Search Setsa.

3.3.

a

The table summarizes the composition of four similarity search sets, for which subset CSNs are shown in Figure 3. In each case, the structure of the reference drug is shown, the drug target is given, and the number of similarity search hits (with activity against the drug target) per subset is reported.