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: | 4 | |
|---|---|---|
| Name: | gamma-hexachlorocyclohexane | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 58-89-9 | |
| InChi Code: | InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5+,6+ |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 2.02 |
experimental value |
| 2.274 |
Eq1: Full model (Training set) |
| 2.321 |
Eq2: Split model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2020686 | US EPA CompTox Dashboard |