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: | 142 | |
|---|---|---|
| Name: | parathion methyl | |
| Description: | Molfile has been corrected for the nitro group(s). | |
| Labels: | Training | |
| CAS: | 298-00-0 | |
| InChi Code: | InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 0.41 |
experimental value |
| 0.095 |
Eq1: Full model (Training set) |
| 0.033 |
Eq2: Split model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1020855 | US EPA CompTox Dashboard |