Table 1.
Assay, target, and compound statistics.
Fig 1.
Reported is the distribution of compounds tested in increasing numbers of (a) primary and (b) confirmatory assays. In (c), both assay categories are combined. In each case, the mean and median number of assays in which a compound was tested is provided.
Fig 2.
Reported is the distribution of compounds that were consistently inactive in increasing numbers of (a) primary and (b) confirmatory assays.
Fig 3.
Shown are nine compounds that were consistently inactive in all assays. For each compound, the number of primary and confirmatory assays it was tested in is reported in blue and red, respectively.
Fig 4.
Reported are the percentages of compounds with increasing degrees of (a) assay and (b) target promiscuity. In addition, average and median degrees of assay and target promiscuity are reported.
Fig 5.
Assay frequency vs. assay promiscuity.
For increasing numbers of (a) primary and (b) confirmatory assays, the distribution of assay promiscuity is reported in a box plot format. The plot gives the smallest degree of assay promiscuity (bottom line), first quartile (lower boundary of the box), median value (thick line), third quartile (upper boundary of the box), and largest degree of assay promiscuity (top line).
Fig 6.
Assay frequency vs. target promiscuity.
For increasing numbers of (a) primary and (b) confirmatory assays, the distribution of target promiscuity is reported in box plots according to Fig 5.
Fig 7.
Shown are five exemplary highly promiscuous compounds. For each compound, the number of assays it was tested in and its assay and target promiscuity are reported. Four of these five compounds contain PAINS substructures (red).