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: | 567 | |
|---|---|---|
| Name: | 2,4-dinitro-1-naphtol sodium salt | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C10H6N2O5.Na.2H2O/c13-10-7-4-2-1-3-6(7)8(11(14)15)5-9(10)12(16)17;;;/h1-5,13H;;2*1H2/q;+1;;/p-1 |
Properties
pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [mmol/L]
| Value | Source or prediction |
|---|---|
| 1.838 |
experimental value |
| 1.918 |
Model.2: Model with 18x18 neurons (Training set) |
| 1.718 |
Model.8: Model with 25x25 neurons (Training set) |