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: | 147 | |
|---|---|---|
| Name: | diazinon | |
| Description: | ||
| Labels: | Training | |
| CAS: | 333-41-5 | |
| InChi Code: | InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 0.97 |
experimental value |
| -0.051 |
Eq1: Full model (Training set) |
| -0.077 |
Eq2: Split model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9020407 | US EPA CompTox Dashboard |