Table 3.

Chemical/physical variables (X-matrix) used for final PLS model of mutagenicity.

Oxygenated PAH organic compounds

9-Fluorenone

Xanthone

Acenaphthenequinone

Perinaphthenone

Anthraquinone

9-Anthraldehyde

Benz[a]anthracene-7,12-dione

Nitro-PAH organic compounds

1-Nitronaphthalene

2-Nitronaphthalene

2-Methyl-1-nitronaphthalene

α-Methyl-1-nitronaphthalene

β-Methyl-1-nitronaphthalene

2-Nitrobiphenyl

4-Nitrobiphenyl

5-Nitroacenaphthene

9-Nitroanthracene

2-Nitrofluoranthene

3-Nitrofluoranthene

1-Nitropyrene

7-Nitrobenz[a]anthracene

6-Nitrochrysene

6-Nitrobenzo[a]pyrene