Table 3.

Predicted metabolic profile of toxicants.

Environmental Toxicants	Cytochrome P450 Isoform Inhibition					SP (cm.s−1)	BA	SA
	1A2	2C19	2C9	2D6	3A4
4-bromodiphenylether	Yes	Yes	Yes	No	No	−4.77	0.55	1.81
4-nonylphenol	Yes	Yes	No	Yes	No	−3.55	0.55	1.63
4-octylphenol	Yes	No	No	Yes	No	−3.85	0.55	1.53
4-tert-butylphenol	Yes	No	No	No	No	−4.87	0.55	1
Bisphenol A	Yes	No	No	Yes	No	−5.34	0.55	1.43
Dichlorodiphenyldichloroethane	Yes	Yes	Yes	Yes	No	−3.98	0.55	2.37
Dichlorodiphenyldichloroethylene	No	Yes	Yes	No	No	−3.62	0.55	2.08
Dichlorodiphenyltrichloroethane	Yes	Yes	Yes	No	No	−3.56	0.55	2.37
Diethylhexyl phthalate	No	No	Yes	No	Yes	−3.39	0.55	4.12
Diethylstilbestrol	Yes	Yes	Yes	Yes	Yes	−4.34	0.55	2.35
Dimethyl phthalate	Yes	No	No	No	No	−6.35	0.55	1.55
Heptachlor	Yes	Yes	Yes	No	No	−5.49	0.55	4.75
Methoxychlor	Yes	Yes	Yes	Yes	No	−4.8	0.55	2.43
O-phenylphenol	Yes	Yes	Yes	No	No	−5.14	0.55	1.27
Perfluorooctanoic acid	No	Yes	Yes	No	No	−5.33	0.85	2.47
Permethrin	Yes	Yes	Yes	Yes	Yes	−4.07	0.55	3.73
Tetrachlorodibenzodioxin	No	No	Yes	No	No	−3.44	0.55	2.71
Tetrachloroethylene	No	No	No	No	No	−4.9	0.55	2.59
Triphenyltin	Yes	No	No	Yes	No	−4.66	0.55	1.81

SP, BA, and SA represent skin permeation, bioavailability, and synthetic accessibility, respectively.