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:430
Name:tetrabutyltin
Description:
Labels:
CAS:
InChi Code:InChI=1S/4C4H9.Sn/c4*1-3-4-2;/h4*1,3-4H2,2H3;

Properties

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

ValueSource or prediction
3.886

experimental value

2.191

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

2.176

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