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: | 10 | |
|---|---|---|
| Name: | phenobarbital | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17) |
Properties
pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [mmol/L]
| Value | Source or prediction |
|---|---|
| -0.319 |
experimental value |
| 1.043 |
Model.2: Model with 18x18 neurons (Validation set) |
| 1.298 |
Model.8: Model with 25x25 neurons (Validation set) |