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:	63
	Name:	4,5-Benzo[a]pyrenequinone
	Description:
	Labels:
	CAS:	42286-46-4
	InChi Code:	InChI=1S/C20H10O2/c21-19-15-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-16(20(19)22)18(14)17(11)15/h1-10H

Properties

Mutagenicity: Mutagenicity on human h1A1v2 cells i

Value	Source or prediction
no	experimental value
no	k-NN: Full k-NN model (Training set)
no	CART: Full CART model (Training set)