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. Author manuscript; available in PMC: 2021 Nov 1.
Published in final edited form as: Comput Toxicol. 2020 Sep 1;16:100135. doi: 10.1016/j.comtox.2020.100135

Table 9.

Example substances with computed ToxPrint probabilities calculated to illustrate model selection based on presence of ToxPrint chemical features outside of the confidence interval range

Substance ID Name Known LD50 mg/kg TEST LD50 mg/kg TIMES LD50 mg/kg Confidence index(TEST:TIMES) Comments
DTXSID3025461 Isobutyl methacrylate 9590 3490 5280 0.3 TIMES model favoured for prediction
DTXSID20182958 Flavoxate succinate 1445 509 482 141 TEST model favoured for prediction
DTXSID1030319 3-amino-9-ethylcarbazole 144 620 540 0.08 TIMES model favoured for prediction