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: | 52 | |
|---|---|---|
| Name: | quinoline | |
| Description: | ||
| Labels: | Training | |
| CAS: | 91-22-5 | |
| InChi Code: | InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -0.61 |
experimental value |
| 0.889 |
Eq1: Full model (Training set) |
| 0.894 |
Eq2: Split model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1021798 | US EPA CompTox Dashboard |