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: | 125 | |
|---|---|---|
| Name: | 1,2,4-trichlorobenzene | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 120-82-1 | |
| InChi Code: | InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 2.1 |
experimental value |
| 1.691 |
Eq1: Full model (Training set) |
| 1.716 |
Eq2: Split model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0021965 | US EPA CompTox Dashboard |