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: | c04 | |
|---|---|---|
| Name: | Aldrin | |
| Description: | Property information Species: Mouse Sex: M Cancer site: Liver | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5+,6+,7-,10+,11- |
Properties
OSF: Oral slope factor [mg/kg/d]
| Value | Source or prediction |
|---|---|
| 17 |
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 |
|---|---|
| 1.332 |
experimental value |
| 2.064 |
Eq.3: PLS model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8020040 | US EPA CompTox Dashboard |