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:	507
	Name:	2-amino-5-chlorobenzonitrile
	Description:
	Labels:
	CAS:
	InChi Code:	InChI=1S/C7H5ClN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2

Properties

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

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