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: | c37 | |
|---|---|---|
| Name: | Fomesafen | |
| Description: | Property information Species: Mouse Sex: M Cancer site: Liver | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C15H10ClF3N2O6S/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3,(H,20,22) |
Properties
OSF: Oral slope factor [mg/kg/d]
| Value | Source or prediction |
|---|---|
| 0.19 |
experimental value |
Carc_class: Carciogenic class i
| Value | Source or prediction |
|---|---|
| P |
experimental value |
| N |
Eq.2: LDA model (Validation set) |
logMW_OSF: Carciogenicity [log(mmol/kg/d)] i
| Value | Source or prediction |
|---|---|
| 3.364 |
experimental value |
| 2.383 |
Eq.3: PLS model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7024112 | US EPA CompTox Dashboard |