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: | 143 | |
|---|---|---|
| Name: | aldrin | |
| Description: | ||
| Labels: | Training | |
| CAS: | 309-00-2 | |
| InChi Code: | InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 2.45 |
experimental value |
| 2.661 |
Eq1: Full model (Training set) |
| 2.681 |
Eq2: Split model (Training set) |