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: | c52 | |
|---|---|---|
| Name: | N-Nitroso-di-n-butylamine | |
| Description: | Property information Species: Mouse Sex: M Cancer site: Bladder, esophagus | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C8H18N2O/c1-3-5-7-10(9-11)8-6-4-2/h3-8H2,1-2H3 |
Properties
OSF: Oral slope factor [mg/kg/d]
| Value | Source or prediction |
|---|---|
| 5.4 |
experimental value |
Carc_class: Carciogenic class i
| Value | Source or prediction |
|---|---|
| N |
experimental value |
| N |
Eq.2: LDA model (Training set) |
logMW_OSF: Carciogenicity [log(mmol/kg/d)] i
| Value | Source or prediction |
|---|---|
| 1.467 |
experimental value |
| 1.503 |
Eq.3: PLS model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2021026 | US EPA CompTox Dashboard |