10967/186 - QDB Compounds

QsarDB Repository

Papa, E.; Pilutti, P.; Gramatica, P. Prediction of PAH mutagenicity in human cells by QSAR classification. SAR and QSAR in Environmental Research 2008, 19, 115–127.

Compound

ID:36
Name:Dibenz[a,j]anthracene
Description:Prediction for CART model was recalculated
Labels:
CAS:224-41-9
InChi Code:InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-13-18-12-10-16-6-2-4-8-20(16)22(18)14-21(17)19/h1-14H

Properties

Mutagenicity: Mutagenicity on human h1A1v2 cells i

ValueSource or prediction
yes

experimental value

no

k-NN: Full k-NN model (Training set)

yes

CART: Full CART model (Training set)

Links to External Resources