Hewitt, M.; Madden, J.C.; Rowe, P.H.; Cronin, M.T.D. Structure-based modelling in reproductive toxicology: (Q)SARs for the placental barrier. SAR QSAR Environ. Res. 2007, 18, 57-76.
Compound
| ID: | 76 | |
|---|---|---|
| Name: | Valproic acid | |
| Description: | ||
| Labels: | ||
| CAS: | 99-66-1 | |
| InChi Code: | InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) |
Properties
CI: Clearance Index
| Value | Source or prediction |
|---|---|
| 0.95 |
experimental value |
| 0.92524 |
Eq.3: QSAR model to predict placental transfer (Training set) |