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:44
Name:2-Nitropyrene
Description:
Labels:
CAS:789-07-1
InChi Code:InChI=1S/C16H9NO2/c18-17(19)14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-9H

Properties

Mutagenicity: Mutagenicity on human h1A1v2 cells i

ValueSource or prediction
no

experimental value

yes

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

yes

CART: Full CART model (Training set)

Links to External Resources