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: | 50 | |
|---|---|---|
| Name: | 1-methylnaphthalene | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 90-12-0 | |
| InChi Code: | InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 0.57 |
experimental value |
| 0.951 |
Eq1: Full model (Training set) |
| 0.986 |
Eq2: Split model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9020877 | US EPA CompTox Dashboard |