Table 1.

Structural alerts and other freely available in silico approaches that may assist in the identification of liver toxicants

Effect	Molecular initiating event	Type(s) of structural alert	Numbers of alerts	Reference
Phosopholipidosis	Trapping of molecules with lysosomes	Generalistic structural alerts	>30	Przybylak et al. (55,56)
Reactive hepatotoxicity including fibrosis	Disruption of cellular function	Structural alerts for covalent binding	>100	Enoch et al. (6)
Mitochondrial toxicity	Disruption of proton gradient	Structural alerts for redox cycling, uncoupling etc	>20	Nelms et al. (57,58)
Liver toxicity (as identified in humans)	Various	Miscellaneous relating to various mechanisms of liver toxicity	>15	Hewitt et al. (59)
Steatosis	Nuclear receptor binding	SMARTS strings for binding to various nuclear receptors	>200	Mellor et al. (60,61)
Steatosis	Binding to LXR	Toxicophores	<5	Tsakovska et al. (62)