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: | 2 | |
|---|---|---|
| Name: | 1-Leucine | |
| Description: | ||
| Labels: | ||
| CAS: | 61-90-5 | |
| InChi Code: | InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1 |
Properties
CI: Clearance Index
| Value | Source or prediction |
|---|---|
| 0.62 |
experimental value |
| 0.41323 |
Eq.3: QSAR model to predict placental transfer (Training set) |