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:	220
	Name:	6-methyl-5-hepten-2-one
	Description:
	Labels:
	CAS:
	InChi Code:	InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3

Properties

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

Value	Source or prediction
0.168	experimental value
0.362	Model.2: Model with 18x18 neurons (Validation set)
1.003	Model.8: Model with 25x25 neurons (Validation set)