10967/238 - QDB Compounds

QsarDB Repository

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:139
Name:2-cyanopyridine
Description:
Labels:
CAS:
InChi Code:InChI=1S/C6H4N2/c7-5-6-3-1-2-4-8-6/h1-4H

Properties

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

ValueSource or prediction
-0.843

experimental value

0.16

Model.2: Model with 18x18 neurons (Validation set)

-0.29

Model.8: Model with 25x25 neurons (Validation set)