Gramatica, P.; Chirico, N.; Papa, E.; Cassani, S.; Kovarich, S. QSARINS: A new software for the development, analysis, and validation of QSAR MLR models. Journal of Computational Chemistry 2013, 34, 2121–2132.
Compound
| ID: | 167 | |
|---|---|---|
| Name: | triallate | |
| Description: | ||
| Labels: | Training | |
| CAS: | 2303-17-5 | |
| InChi Code: | InChI=1S/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 0.32 |
experimental value |
| 0.608 |
Eq1: Full model (Training set) |
| 0.531 |
Eq2: Split model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5024344 | US EPA CompTox Dashboard |