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: | 54 | |
|---|---|---|
| Name: | 1,1'-biphenyl | |
| Description: | (PCB 0) | |
| Labels: | Validation | |
| CAS: | 92-52-4 | |
| InChi Code: | InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 0.91 |
experimental value |
| 1.393 |
Eq1: Full model (Training set) |
| 1.429 |
Eq2: Split model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4020161 | US EPA CompTox Dashboard |