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. Author manuscript; available in PMC: 2023 Nov 1.
Published in final edited form as: Comput Toxicol. 2022 Jul 14;24:100237. doi: 10.1016/j.comtox.2022.100237

Table 7.

Example use-case scenarios for the application of in silico predictions for acute oral toxicity.

Scenario Description
Dose selection for in vivo studies Utilizing in silico acute oral toxicity predictions to determine the study starting dose for an in vivo study.
GHS classification for safety data sheets Utilizing in silico AOT predictions to determine the GHS classification for an unstudied compound.
Identify compounds which are dangerous goods Utilizing in silico AOT predictions to inform whether a compound is dangerous good and, if so, what packing group it falls into.