This study outlines the analysis of repeat dose toxicity data taken from Scientific Committee on Consumer Safety (SCCS) opinions for commonly used hair dyes in the European Union. Structural similarity was applied to group these chemicals into categories. Subsequent mechanistic analysis suggested that toxicity to mitochondria is potentially a key driver of repeat dose toxicity for chemicals within each of the categories. The mechanistic hypothesis allowed for an in silico profiler consisting of mechanism-based structural alerts to be proposed. This in silico profiler is intended for grouping chemicals into mechanism-based categories within the Adverse Outcome Pathway paradigm
