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:57
Name:3-Nitro-6H-dibenzo[b,d]pyran-6-one
Description:
Labels:
CAS:6638-64-8
InChi Code:InChI=1S/C13H7NO4/c15-13-11-4-2-1-3-9(11)10-6-5-8(14(16)17)7-12(10)18-13/h1-7H

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