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: | 1 | |
|---|---|---|
| Name: | p,p'-DDT | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 50-29-3 | |
| InChi Code: | InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 3.85 |
experimental value |
| 4.26 |
Eq1: Full model (Training set) |
| 4.29 |
Eq2: Split model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4020375 | US EPA CompTox Dashboard |