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: | 51 | |
|---|---|---|
| Name: | naphthalene | |
| Description: | ||
| Labels: | Training | |
| CAS: | 91-20-3 | |
| InChi Code: | InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 0.46 |
experimental value |
| 0.953 |
Eq1: Full model (Training set) |
| 0.989 |
Eq2: Split model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8020913 | US EPA CompTox Dashboard |