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. 2021 Jun 7;183:2248–2261. doi: 10.1016/j.ijbiomac.2021.06.017

Table 6.

Computational toxicity risk assessment parameters (DS TOPKAT, Accelrys, USA) OF EsA.

Compounds Rat oral LD50 (g/kg) TOPKAT_Rat_inhalational_LC50 (mg/m3/h) TOPKAT_Ames mutagenicity TOPKAT_WOE_prediction Skin sensitization Skin irritancy Ocular irritancy
EsA 3.15164 1.35905 Non-mutagen Non-carcinogen Weak Moderate Severe