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: | 180 | |
|---|---|---|
| Name: | metolachlor | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 51218-45-2 | |
| InChi Code: | InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 1.13 |
experimental value |
| 0.409 |
Eq1: Full model (Training set) |
| 0.303 |
Eq2: Split model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4022448 | US EPA CompTox Dashboard |