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. 2019 Aug 22;27(4):915–925. doi: 10.1016/j.jfda.2019.08.001

Table 2.

In silico toxicology of NZ and NZ-NO using ADMET Predictor™.

Parameter NZ NZ-NO
Rat_TD50 (mg/kg) 12.857 0.966
Mouse_TD50 (mg/kg) 20.747 2.207
TOX_FHM (mg/L) 0.275 0.162
Rat-acute LD50 (mg/kg) 1382.32 1091.22
Chrom_Aberr Non-toxic Toxic
Ser_AST Normal Elevated
Ser_ALT Normal Normal
MUT_Riska 0.5 3
TOX_Riskb 0.95 3

Rat_TD50: median toxic dose in rat, Mouse_TD50: median toxic dose in mouse, TOX_FHM: fathead minnow model, Rat-acute LD50: median lethal dose rat acute toxicity, Ser_AST: serum aspartate aminotransferase, Ser_ALT: serum alanine aminotransferase, MUT_Risk: overall mutagenicity, and TOX_Risk: overall toxicity.

a

Desired value is <1.

b

Desired value is <3.