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: | c58 | |
|---|---|---|
| Name: | N-Nitrosodiphenylamine | |
| Description: | Property information Species: Rat Sex: F Cancer site: Bladder | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H10N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H |
Properties
OSF: Oral slope factor [mg/kg/d]
| Value | Source or prediction |
|---|---|
| 0.0049 |
experimental value |
Carc_class: Carciogenic class i
| Value | Source or prediction |
|---|---|
| P |
experimental value |
| P |
Eq.2: LDA model (Training set) |
logMW_OSF: Carciogenicity [log(mmol/kg/d)] i
| Value | Source or prediction |
|---|---|
| 4.607 |
experimental value |
| 4.295 |
Eq.3: PLS model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6021030 | US EPA CompTox Dashboard |