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: | 177 | |
|---|---|---|
| Name: | 2,8-dichlorodibenzo-p-dioxin | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 38964-22-6 | |
| InChi Code: | InChI=1S/C12H6Cl2O2/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9/h1-6H |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 2.16 |
experimental value |
| 2.331 |
Eq1: Full model (Training set) |
| 2.327 |
Eq2: Split model (Validation set) |