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:	354
	Name:	2-tridecanone
	Description:
	Labels:
	CAS:
	InChi Code:	InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-12H2,1-2H3

Properties

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

Value	Source or prediction
2.742	experimental value
2.192	Model.2: Model with 18x18 neurons (Validation set)
2.087	Model.8: Model with 25x25 neurons (Validation set)