Aruoja, V.; Moosus, M.; Kahru, A.; Sihtmäe, M.; Maran, U. Measurement of baseline toxicity and QSAR analysis of 50 non-polar and 58 polar narcotic chemicals for the alga Pseudokirchneriella subcapitata. Chemosphere 2014, 96, 23-32
Compound
| ID: | 106 | |
|---|---|---|
| Name: | Hexanol | |
| Description: | ||
| Labels: | Validation, Alkanes_alcohols, Nonpolar_narcotics | |
| CAS: | 111-27-3 | |
| InChi Code: | InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3 |
Properties
pEC50: 72-h Algal toxicity as log(1/EC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| -0.05 |
experimental value |
| -0.02 |
Tab4a: Baseline model (Training) |
| -0.224 |
Tab4b: Main model (Validation) |
| -0.314 |
Tab4c: Response surface model (Validation) |