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: | 178 | |
|---|---|---|
| Name: | 2-chlorodibenzo-p-dioxin | |
| Description: | Name corrected according to CAS and molfile according to original data in publ. 2010. (was: 2,7-dichlorodibenzo-p-dioxin) | |
| Labels: | Validation | |
| CAS: | 39227-54-8 | |
| InChi Code: | InChI=1S/C12H7ClO2/c13-8-5-6-11-12(7-8)15-10-4-2-1-3-9(10)14-11/h1-7H |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 1.85 |
experimental value |
| 1.691 |
Eq1: Full model (Training set) |
| 1.677 |
Eq2: Split model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID90192488 | US EPA CompTox Dashboard |