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:	77
	Name:	3-methylindole
	Description:
	Labels:
	CAS:
	InChi Code:	InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3

Properties

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

Value	Source or prediction
1.171	experimental value
1.167	Model.2: Model with 18x18 neurons (Training set)
1.32	Model.8: Model with 25x25 neurons (Training set)