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: | c10 | |
|---|---|---|
| Name: | Benzo[a]pyrene | |
| Description: | Property information Species: Rat Sex: M/F Cancer site: Forestomach | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H |
Properties
OSF: Oral slope factor [mg/kg/d]
| Value | Source or prediction |
|---|---|
| 7.3 |
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 |
|---|---|
| 1.539 |
experimental value |
| 2.285 |
Eq.3: PLS model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2020139 | US EPA CompTox Dashboard |