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: | 112 | |
|---|---|---|
| Name: | (2-chloroethoxy)ethene | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 110-75-8 | |
| InChi Code: | InChI=1S/C4H7ClO/c1-2-6-4-3-5/h2H,1,3-4H2 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -1.03 |
experimental value |
| -0.667 |
Eq1: Full model (Training set) |
| -0.65 |
Eq2: Split model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0051570 | US EPA CompTox Dashboard |