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: | 13 | |
|---|---|---|
| Name: | benzoic acid | |
| Description: | ||
| Labels: | Training | |
| CAS: | 65-85-0 | |
| InChi Code: | InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -0.59 |
experimental value |
| -0.502 |
Eq1: Full model (Training set) |
| -0.578 |
Eq2: Split model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6020143 | US EPA CompTox Dashboard |