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:49
Name:1,6-Benzo[a]pyrenequinone
Description:
Labels:
CAS:3067-13-8
InChi Code:InChI=1S/C20H10O2/c21-17-10-6-11-5-7-16-19-13(8-9-15(17)18(11)19)12-3-1-2-4-14(12)20(16)22/h1-10H

Properties

Mutagenicity: Mutagenicity on human h1A1v2 cells i

ValueSource or prediction
no

experimental value

no

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

no

CART: Full CART model (Training set)