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:	543
	Name:	3,6-dimethyl-1-heptyn-3-ol
	Description:
	Labels:
	CAS:
	InChi Code:	InChI=1S/C9H16O/c1-5-9(4,10)7-6-8(2)3/h1,8,10H,6-7H2,2-4H3

Properties

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

Value	Source or prediction
0.457	experimental value
0.459	Model.2: Model with 18x18 neurons (Training set)
0.755	Model.8: Model with 25x25 neurons (Training set)