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Modelling of the relationship between chemical structure and toxicological end-points offers a quick and efficient means of hazard prediction using a computer.1 Agius et al have developed and validated a quantitative structure-activity relationship (QSAR) model to predict the potential of low molecular weight (LMW) organic agents to cause asthma due to sensitisation, as determined by the hazard index (HI).2–5 Using a cut-point HI of 0.5, it has demonstrated a sensitivity of 79% and a specificity of 93%4 with a high negative predictive value (91–100%) suggesting that the use of such a HI could play a …
Competing interests None.
Patient consent Obtained.
Provenance and peer review Not commissioned; internally peer reviewed.
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