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: | 157 | |
|---|---|---|
| Name: | 3-butenoic acid | |
| Description: | ||
| Labels: | Training | |
| CAS: | 625-38-7 | |
| InChi Code: | InChI=1S/C4H6O2/c1-2-3-4(5)6/h2H,1,3H2,(H,5,6) |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -1.6 |
experimental value |
| -1.562 |
Eq1: Full model (Training set) |
| -1.618 |
Eq2: Split model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID60211539 | US EPA CompTox Dashboard |