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:	548
	Name:	2,6-diisopropylaniline
	Description:
	Labels:
	CAS:
	InChi Code:	InChI=1S/C12H19N/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9H,13H2,1-4H3

Properties

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

Value	Source or prediction
1.096	experimental value
0.91	Model.2: Model with 18x18 neurons (Training set)
0.842	Model.8: Model with 25x25 neurons (Training set)