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: | 168 | |
|---|---|---|
| Name: | 2-methoxytetrachlorophenol | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 2539-17-5 | |
| InChi Code: | InChI=1S/C7H4Cl4O2/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h12H,1H3 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 1.76 |
experimental value |
| 1.826 |
Eq1: Full model (Training set) |
| 1.784 |
Eq2: Split model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0044155 | US EPA CompTox Dashboard |