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: | 551 | |
|---|---|---|
| Name: | N-(3-methoxypropyl)-3,4,5-trimethoxybenzylamine | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C14H23NO4/c1-16-7-5-6-15-10-11-8-12(17-2)14(19-4)13(9-11)18-3/h8-9,15H,5-7,10H2,1-4H3 |
Properties
pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [mmol/L]
| Value | Source or prediction |
|---|---|
| 0.297 |
experimental value |
| 0.87 |
Model.2: Model with 18x18 neurons (Training set) |
| 0.855 |
Model.8: Model with 25x25 neurons (Training set) |