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:26
Name:Dibenzo[b,k]fluoranthene
Description:
Labels:
CAS:205-97-0
InChi Code:InChI=1S/C24H14/c1-2-7-16-13-22-21(12-15(16)6-1)20-11-5-10-19-18-9-4-3-8-17(18)14-23(22)24(19)20/h1-14H

Properties

Mutagenicity: Mutagenicity on human h1A1v2 cells i

ValueSource or prediction
yes

experimental value

yes

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

yes

CART: Full CART model (Training set)

Links to External Resources