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: | 79 | |
|---|---|---|
| Name: | benzeneacetic acid | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 103-82-2 | |
| InChi Code: | InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -0.29 |
experimental value |
| -0.5 |
Eq1: Full model (Training set) |
| -0.575 |
Eq2: Split model (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2021656 | US EPA CompTox Dashboard |