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: | 307 | |
|---|---|---|
| Name: | Secobarbital sodium salt | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H18N2O3.Na/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16;/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17);/q;+1/p-1 |
Properties
pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [mmol/L]
| Value | Source or prediction |
|---|---|
| 1.043 |
experimental value |
| 1.043 |
Model.2: Model with 18x18 neurons (Training set) |
| 0.84 |
Model.8: Model with 25x25 neurons (Training set) |