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: | 10 | |
|---|---|---|
| Name: | Alanine | |
| Description: | ||
| Labels: | ||
| CAS: | 56-41-7 | |
| InChi Code: | InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 |
Properties
CI: Clearance Index
| Value | Source or prediction |
|---|---|
| 0.3 |
experimental value |
| 0.41323 |
Eq.3: QSAR model to predict placental transfer (Training set) |