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. 2022 Jul 15;7(29):25055–25065. doi: 10.1021/acsomega.2c01071

Table 2. In Silico Testing for Mutagenicity and Skin Irritation.

  in silico end point (test system)
compounds mutagenicity (SARAH) mutagenicity (DEREK) skin sensitization (DEREK)
PPADT no alerts no alerts moderate sensitizer
1,4-benzenedimethanethiol no alerts no alerts moderate sensitizer
acetone positive no alerts no alerts