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: | 53 | |
|---|---|---|
| Name: | 2-naphthalenamine | |
| Description: | ||
| Labels: | Training | |
| CAS: | 91-59-8 | |
| InChi Code: | InChI=1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 0.23 |
experimental value |
| 0.083 |
Eq1: Full model (Training set) |
| 0.034 |
Eq2: Split model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2020921 | US EPA CompTox Dashboard |