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: | 67 | |
|---|---|---|
| Name: | 1,2,3-trichloropropane | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 96-18-4 | |
| InChi Code: | InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 0.33 |
experimental value |
| 0.384 |
Eq1: Full model (Training set) |
| 0.415 |
Eq2: Split model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9021390 | US EPA CompTox Dashboard |