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: | 129 | |
|---|---|---|
| Name: | malathion | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 121-75-5 | |
| InChi Code: | InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -0.42 |
experimental value |
| -1.088 |
Eq1: Full model (Training set) |
| -1.192 |
Eq2: Split model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4020791 | US EPA CompTox Dashboard |