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: | 7 | |
|---|---|---|
| Name: | dieldrin | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 60-57-1 | |
| InChi Code: | InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2/t2-,3+,4+,5-,6-,7+,10+,11- |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 2.64 |
experimental value |
| 2.437 |
Eq1: Full model (Training set) |
| 2.456 |
Eq2: Split model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9020453 | US EPA CompTox Dashboard |