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Fragments tiling substructures of biogenic molecules. (a) Three representative ZINC fragments that are substructures of Imatinib. (b) Three representative ZINC fragments that are substructures of DB07833 (p38 MAP Kinase inhibitor). Fragment 19257754 in Imatinib is similar to fragment 3518745 in DB07833 in chemical path fingerprints (CP Tc = 0.725; ECFP_4 Tc = 0.402), and only one of them was kept in the maximally diverse fragment set (see column 4 in Table 2).
