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. 2017 Aug 17;6:Chem Inf Sci-1505. [Version 1] doi: 10.12688/f1000research.12370.1

Figure 3. Characterization of matched molecular series (MMSs).

Figure 3.

( a) An exemplary MMS comprising three analogs is shown. The MMS core and varying substituents are colored in black and orange, respectively. For each compound, the number of assays it was tested and active in is reported, respectively. Furthermore, the assay union, intersection, and MMS hit rate (purple) are given. From these data, the assay overlap (green) of MMS analogs was determined as well as the proportion of assays with consistent activity, inactivity, and inconsistent activity (blue). ( b) Boxplots are shown reporting the distribution of assay overlap, assays with inconsistent activity as well as assay- or target-based MMS hit rates for PubChem compounds with greater than 1.8% hit rate.