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:	269
	Name:	2-methylvaleraldehyde
	Description:
	Labels:
	CAS:
	InChi Code:	InChI=1S/C6H12O/c1-3-4-6(2)5-7/h5-6H,3-4H2,1-2H3

Properties

pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [mmol/L]

Value	Source or prediction
0.727	experimental value
0.56	Model.2: Model with 18x18 neurons (Training set)
0.662	Model.8: Model with 25x25 neurons (Training set)