Structural alerts, risk associated with

DEREK (deductive estimation of risk from existing knowledge) for Windows contains 25 chemical structural alerts associated with skin irritation. 

Exposure to certain aromatic amines, some of which are considered potent mutagens, is associated with an increased risk of cancer. N-nitroso- or aromatic amine functional groups serve as structural alerts and are used to prioritize new chemicals for greater study under the Toxic Substances Control Act. Variations on the location and number of amine groups as well as the number of aromatic... 

Toxicity prediction is based on the assumption that an activity of chenucals depends on their structures. This statement is valid both for the creation of (Q)SAR models and for calculation of risk assessment using expert rules, which allow detecting the toxic compounds based on the so-called alerts, simple structural components associated with the manifestation of toxicity [8, 9, 10]. 

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