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: | 145 | |
|---|---|---|
| Name: | diuron | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 330-54-1 | |
| InChi Code: | InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14) |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 0.12 |
experimental value |
| 0.715 |
Eq1: Full model (Training set) |
| 0.628 |
Eq2: Split model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0020446 | US EPA CompTox Dashboard |