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: | 23 | |
|---|---|---|
| Name: | amphetamine sulphate | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/2C9H13N.H2O4S/c2*1-8(10)7-9-5-3-2-4-6-9;1-5(2,3)4/h2*2-6,8H,7,10H2,1H3;(H2,1,2,3,4)/t2*8-;/m00./s1 |
Properties
pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [mmol/L]
| Value | Source or prediction |
|---|---|
| 1.107 |
experimental value |
| 0.699 |
Model.2: Model with 18x18 neurons (Training set) |
| 0.696 |
Model.8: Model with 25x25 neurons (Training set) |