Structure-activity relationship

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The structure / activity relationship (short SAR of English structure / activity relationship ) is the connection between specific aspects of molecular structure and biological activity. It can be used as a model for predicting the biological effects of substances that have not yet been tested and is therefore particularly important in drug development , but also in toxicology and environmental sciences .

In principle , a distinction can be made between non-quantitative (qualitative) and quantitative structure-activity relationships , also known as QSAR. Qualitative structure / effect relationships are based on binary information (yes or no) about the chemical structure or structural properties and biological effects. In this way, the relationship between the presence or absence of a chemical structure or structural property and the presence or absence of a biological effect can be analyzed.

In contrast, continuous data are used for the mathematical description of the relationship for quantitative structure / effect relationships. For example, correlations can be established between the chain length of a substituent and an effect.

Individual evidence

  1. Entry on Structure – activity relationship (SAR) . In: IUPAC Compendium of Chemical Terminology (the “Gold Book”) . doi : 10.1351 / goldbook.ST06845 Version: 2.3.3.

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