Drgan, V.; Župerl, Š.; Vračko, M.; Como, F.; Novič, M. Robust modelling of acute toxicity towards fathead minnow (Pimephales promelas) using counter-propagation artificial neural networks and genetic algorithm. SAR QSAR Environ. Res. 2016, 27, 501–519.
Compound
| ID: | 393 | |
|---|---|---|
| Name: | 2,4,6-tri-tert-butylphenol | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C18H30O/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3 |
Properties
pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [mmol/L]
| Value | Source or prediction |
|---|---|
| 3.638 |
experimental value |
| 2.78 |
Model.2: Model with 18x18 neurons (Validation set) |
| 2.832 |
Model.8: Model with 25x25 neurons (Validation set) |