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: | 169 | |
|---|---|---|
| Name: | 1-(2-chlorophenyl)-1-(4-chlorophenyl)-2,2-dichloroethylene | |
| Description: | (o,p'-DDE) | |
| Labels: | Validation | |
| CAS: | 3424-82-6 | |
| InChi Code: | InChI=1S/C14H8Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8H |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 3.87 |
experimental value |
| 3.837 |
Eq1: Full model (Training set) |
| 3.855 |
Eq2: Split model (Validation set) |