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: | 23 | |
|---|---|---|
| Name: | methoxychlor | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 72-43-5 | |
| InChi Code: | InChI=1S/C16H15Cl3O2/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12/h3-10,15H,1-2H3 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 1.91 |
experimental value |
| 2.976 |
Eq1: Full model (Training set) |
| 2.983 |
Eq2: Split model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9020827 | US EPA CompTox Dashboard |