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: | 172 | |
|---|---|---|
| Name: | mecoprop | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 7085-19-0 | |
| InChi Code: | InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13) |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 0.28 |
experimental value |
| 0.118 |
Eq1: Full model (Training set) |
| 0.042 |
Eq2: Split model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9024194 | US EPA CompTox Dashboard |