Figure 5.

Principal component analysis (first two principal components shown with percent global variability explained indicated in parentheses) of chemical similarity vs. multi-parametric assessment of cardiotoxicity. A, Chemical diversity of Screen-Well^™ Cardiotoxicity Library drugs using Dragon descriptors. B, Responses at each concentration for beat rate and peak shape (spacing, amplitude, rise, decay and width) for 30 min time point. C, Same as B for 24 hr time point. Non-toxic compounds are shown as blue circles. Cardiotoxic compounds are shown in red (triangles – compounds with known dopamine- and/or histamine-ergic activity, diamonds – compounds with known effects on ion channels, squares – other cardiotoxic compounds).