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: | 165 | |
|---|---|---|
| Name: | 3-chlorobiphenyl | |
| Description: | (PCB 3) | |
| Labels: | Validation | |
| CAS: | 2051-61-8 | |
| InChi Code: | InChI=1S/C12H9Cl/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 2.47 |
experimental value |
| 1.933 |
Eq1: Full model (Training set) |
| 1.929 |
Eq2: Split model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1040299 | US EPA CompTox Dashboard |