Hammett Electronic parameters
- sachinkumar244
- Dec 1, 2023
- 1 min read
Also, knowns as Hammett substitution constant –
A physicochemical parameter called Hammett’s electronic parameter is frequently used in quantitative structure-activity relationship (QSAR) models as a descriptor.
The Hammettt parameter (σ) quantifies whether a substituent group in an aromatic molecule is electron-withdrawing or electron-donating.
The Hammettt parameter in QSAR modelling is used to relate a molecule's structure to its biological activity or other physicochemical characteristics.
The rate of a chemical reaction between a substituted aromatic molecule and a reagent can be used to measure the Hammettt parameter experimentally. Alternatively, computational methods based on the molecular structure can be used to derive the value.
In QSAR drug modelling, the Hammettt parameter is frequently used to forecast a drug's pharmacological activity based on the electronic characteristics of its substituent groups.
For example, non-steroidal anti-inflammatory medicines (NSAIDs) structure-activity relationships have been studied and their potency and selectivity predicted using QSAR models integrating the Hammettt parameter.
By identifying the optimal substituent groups that can improve the medication's pharmacological activity, QSAR models that integrate the Hammettt parameter can also aid in optimising drug design.
