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: | c68 | |
|---|---|---|
| Name: | Trifluralin | |
| Description: | Property information Species: Rat Sex: M Cancer site: Kidney, bladder | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3 |
Properties
OSF: Oral slope factor [mg/kg/d]
| Value | Source or prediction |
|---|---|
| 0.0077 |
experimental value |
Carc_class: Carciogenic class i
| Value | Source or prediction |
|---|---|
| P |
experimental value |
| U |
Eq.2: LDA model (Validation set) |
logMW_OSF: Carciogenicity [log(mmol/kg/d)] i
| Value | Source or prediction |
|---|---|
| 4.639 |
experimental value |
| 4.741 |
Eq.3: PLS model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4021395 | US EPA CompTox Dashboard |