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:	147
	Name:	benzyl-tertbutanol
	Description:
	Labels:
	CAS:
	InChi Code:	InChI=1S/C11H16O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3

Properties

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

Value	Source or prediction
0.393	experimental value
0.397	Model.2: Model with 18x18 neurons (Training set)
0.844	Model.8: Model with 25x25 neurons (Training set)