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 |