Kar, S.; Deeb, O.; Roy, K. Development of classification and regression based QSAR models to predict rodent carcinogenic potency using oral slope factor. Ecotoxicology and Environmental Safety 2012, 82, 85–95.
Compound
| ID: | c13 | |
|---|---|---|
| Name: | Bis(chloroethyl)ether | |
| Description: | Property information Species: Mouse Sex: M Cancer site: Liver | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2 |
Properties
OSF: Oral slope factor [mg/kg/d]
| Value | Source or prediction |
|---|---|
| 1.1 |
experimental value |
Carc_class: Carciogenic class i
| Value | Source or prediction |
|---|---|
| N |
experimental value |
| P |
Eq.2: LDA model (Training set) |
logMW_OSF: Carciogenicity [log(mmol/kg/d)] i
| Value | Source or prediction |
|---|---|
| 2.114 |
experimental value |
| 2.699 |
Eq.3: PLS model (Training set) |