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:	325
	Name:	neoabietic acid
	Description:
	Labels:
	CAS:
	InChi Code:	InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12,16-17H,5-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1

Properties

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

Value	Source or prediction
2.248	experimental value
2.403	Model.2: Model with 18x18 neurons (Training set)
2.832	Model.8: Model with 25x25 neurons (Training set)