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:	260
	Name:	vanillin
	Description:
	Labels:
	CAS:
	InChi Code:	InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3

Properties

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

Value	Source or prediction
0.426	experimental value
0.764	Model.2: Model with 18x18 neurons (Training set)
0.845	Model.8: Model with 25x25 neurons (Training set)