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: | 171 | |
|---|---|---|
| Name: | 1-chloro-4-phenoxybenzene | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 7005-72-3 | |
| InChi Code: | InChI=1S/C12H9ClO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 1.32 |
experimental value |
| 1.696 |
Eq1: Full model (Training set) |
| 1.683 |
Eq2: Split model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2052447 | US EPA CompTox Dashboard |