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: | 179 | |
|---|---|---|
| Name: | 1,2,4-trichlorodibenzo-p-dioxin | |
| Description: | ||
| Labels: | Training | |
| CAS: | 39227-58-2 | |
| InChi Code: | InChI=1S/C12H5Cl3O2/c13-6-5-7(14)11-12(10(6)15)17-9-4-2-1-3-8(9)16-11/h1-5H |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 2.32 |
experimental value |
| 2.971 |
Eq1: Full model (Training set) |
| 2.977 |
Eq2: Split model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID50192489 | US EPA CompTox Dashboard |