| Human toxicity |
|||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| Software | EPI Suite | VEGA | TEST | ToxPredict | Toxtree | OCHEM | DEMETRA | CORALSEA | Chembench | TOPKAT | |
| In vitro skin irritation/corrosion | 1 | 3 | |||||||||
| In vitro eye irritation/corrosion | 1 | 3 | |||||||||
| Skin sensitization | 1 | 1 | 2 | 2 | |||||||
| In vitro mutagenicity | 1 | 4 | 1 | 1 | 1 | 2 | 1 | ||||
| In vitro cytogenicity mammalian cells | 1 | ||||||||||
| In vivo mutagenicity mammalian cells | 1 | ||||||||||
| Inhalation acute toxicity | 1 | ||||||||||
| Acute oral toxicity | 4 | 1 | 1 | 1 | |||||||
| Dermal acute toxicity | 1 | 1 | |||||||||
| Short-term repeated dose toxicity (28 d) | 1 | 1 | |||||||||
| Sub-chronic repeated dose study (90 d) | 1 | ||||||||||
| Developmental toxicity | 1 | 6 | |||||||||
| Carcinogenicity | 1 | 6 | 1 | 13 | |||||||
Numbers indicate the number of models in each software.
QSAR, quantitative structure-activity relationships; K-REACH, Act on the Registration, Evaluation, Authorization, and Restriction of Chemical Substances.