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. 2010 Apr;8(2):152–174. doi: 10.1089/adt.2009.0247

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© Mary Ann Liebert, Inc.

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Fig. 4. — Compound structures and AC₅₀s for redox cycling compounds (RCCs) confirmed in 10-point concentration dependence assays. RCCs that were identified in the HRP-PR H₂O₂ detection HTS and confirmed in 10-point dose–response AC₅₀ assays were analyzed using the Leadscope Enterprise 2.4.6–1 software. The active compounds were subjected to structure-based clustering and classification techniques based on recursive partitioning that produced singleton structures and clusters of related structures. The PubChem substance identity numbers (SIDs), AC₅₀s in μM, chemical structures, and names of the chemical clusters are presented; (A) Cluster 1: ortho-quinones, (B) Cluster 2: pyrimidotriazinediones, (C) Cluster 3: arylsulfonamides, (D) Cluster 4: nitrothiophene-2-carboxylates, (E) Cluster 5: tolyl hydrazides, (F) Cluster 6: para-quinones, and (G) singletons.