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:	45
	Name:	benzene
	Description:
	Labels:
	CAS:
	InChi Code:	InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H

Properties

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

Value	Source or prediction
0.502	experimental value
0.413	Model.2: Model with 18x18 neurons (Validation set)
1.005	Model.8: Model with 25x25 neurons (Validation set)