Toropov, A. A.; Benfenati, E. QSAR models of quail dietary toxicity based on the graph of atomic orbitals. Bioorg. Med. Chem. Lett. 2006, 16, 1941–1943.
Compound
| ID: | Va_13 | |
|---|---|---|
| Name: | Acetaldehyde | |
| Description: | Name and CAS number does not match. | |
| Labels: | ||
| CAS: | 26532-25-2 | |
| InChi Code: |
Properties
pLC50: Quail dietary toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| -0.7248 |
experimental value |
| -1.00246 |
Eq.3: Model for pesticides (Validation set) |