Piir, G.; Sild, S.; Roncaglioni, A.; Benfenati, E.; Maran, U. QSAR model for the prediction of bio-concentration factor using aqueous solubility and descriptors considering various electronic effects. SAR QSAR Environ. Res. 2010, 21, 7-8, 711-729.
Compound
| ID: | t79 | |
|---|---|---|
| Name: | m- divinylbenzene | |
| Description: | ||
| Labels: | Training | |
| CAS: | 108-57-6 | |
| InChi Code: | InChI=1S/C10H10/c1-3-9-6-5-7-10(4-2)8-9/h3-8H,1-2H2 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.55 |
experimental value |
| 2.1206 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 2.1206 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |