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: | 57 | |
|---|---|---|
| Name: | benzo(b)thiophene | |
| Description: | ||
| Labels: | Training | |
| CAS: | 95-15-8 | |
| InChi Code: | InChI=1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 1.04 |
experimental value |
| 0.732 |
Eq1: Full model (Training set) |
| 0.767 |
Eq2: Split model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2052736 | US EPA CompTox Dashboard |