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: | 162 | |
|---|---|---|
| Name: | carbofuran | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 1563-66-2 | |
| InChi Code: | InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14) |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 0.47 |
experimental value |
| -0.559 |
Eq1: Full model (Training set) |
| -0.664 |
Eq2: Split model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9020249 | US EPA CompTox Dashboard |