A substructure-based SAR model for odor perception in humans relevant to health risk assessments

摘要

The ability of humans to perceive odors is a very complex phenomenon involving the selective binding of molecules to approximately 1000 olfactory receptors. Accordingly, the derivation of a substructure-based SAR model can be expected to be problematic. Yet, based upon published data on odor thresholds of volatile organic chemicals, we were able to derive such an SAR model. An examination of the structural determinants and related modulators indicates that lipophilicity is a major contributor to olfactory perception. The availability of a substructure-based SAR model permits an examination of the relationship between the presence in the environment of odorous chemicals and public health risks.