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: | 453 | |
|---|---|---|
| Name: | (+-)-4-pentyn-2-ol | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C5H8O/c1-3-4-5(2)6/h1,5-6H,4H2,2H3 |
Properties
pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [mmol/L]
| Value | Source or prediction |
|---|---|
| 0.38 |
experimental value |
| 0.208 |
Model.2: Model with 18x18 neurons (Validation set) |
| -0.998 |
Model.8: Model with 25x25 neurons (Validation set) |