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: | 173 | |
|---|---|---|
| Name: | 2,3,4-trichlorobiphenyl | |
| Description: | (PCB 21) CAS changed to match name and molfile. (was: 25323-68-6) | |
| Labels: | Training | |
| CAS: | 55702-46-0 | |
| InChi Code: | InChI=1S/C12H7Cl3/c13-10-7-6-9(11(14)12(10)15)8-4-2-1-3-5-8/h1-7H |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 3.72 |
experimental value |
| 3.2 |
Eq1: Full model (Training set) |
| 3.21 |
Eq2: Split model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0074180 | US EPA CompTox Dashboard |