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: | 97 | |
|---|---|---|
| Name: | 1,3,5-trichlorobenzene | |
| Description: | ||
| Labels: | Training | |
| CAS: | 108-70-3 | |
| InChi Code: | InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 2.25 |
experimental value |
| 1.692 |
Eq1: Full model (Training set) |
| 1.718 |
Eq2: Split model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8026195 | US EPA CompTox Dashboard |