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: | 134 | |
|---|---|---|
| Name: | 1,4-dioxane | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 123-91-1 | |
| InChi Code: | InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -2.36 |
experimental value |
| -1.547 |
Eq1: Full model (Training set) |
| -1.55 |
Eq2: Split model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4020533 | US EPA CompTox Dashboard |