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:137
Name:N-methylaniline
Description:
Labels:
CAS:
InChi Code:InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3

Properties

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

ValueSource or prediction
0.03

experimental value

0.019

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

0.135

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