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: | 123 | |
|---|---|---|
| Name: | anthracene | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 120-12-7 | |
| InChi Code: | InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 2.1 |
experimental value |
| 2.046 |
Eq1: Full model (Training set) |
| 2.078 |
Eq2: Split model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0023878 | US EPA CompTox Dashboard |