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: | 55 | |
|---|---|---|
| Name: | (2,4-dichlorophenoxy)acetic acid | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 94-75-7 | |
| InChi Code: | InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12) |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 0.56 |
experimental value |
| 0.781 |
Eq1: Full model (Training set) |
| 0.726 |
Eq2: Split model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0020442 | US EPA CompTox Dashboard |