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: | 78 | |
|---|---|---|
| Name: | iso-Butanol | |
| Description: | ||
| Labels: | Training, Alkanes_alcohols, Nonpolar_narcotics | |
| CAS: | 78-83-1 | |
| InChi Code: | InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 |
Properties
pEC50: 72-h Algal toxicity as log(1/EC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| -1.36 |
experimental value |
| -1.133 |
Tab4a: Baseline model (Training) |
| -1.225 |
Tab4b: Main model (Training) |
| -1.285 |
Tab4c: Response surface model (Training) |