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: | c57 | |
|---|---|---|
| Name: | N-Nitrosodimethylamine | |
| Description: | Property information Species: Rat Sex: F Cancer site: Liver | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3 |
Properties
OSF: Oral slope factor [mg/kg/d]
| Value | Source or prediction |
|---|---|
| 51 |
experimental value |
Carc_class: Carciogenic class i
| Value | Source or prediction |
|---|---|
| N |
experimental value |
| N |
Eq.2: LDA model (Validation set) |
logMW_OSF: Carciogenicity [log(mmol/kg/d)] i
| Value | Source or prediction |
|---|---|
| 0.162 |
experimental value |
| -0.804 |
Eq.3: PLS model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7021029 | US EPA CompTox Dashboard |