Quantitative Structure-Activity Relationship
Quantitative Structure-Activity Relationship (QSAR) is a computational approach used in drug discovery and material science to predict the biological activity or properties of a molecule based on its chemical structure. QSAR models are built using statistical and machine learning algorithms that analyze the relationship between the physicochemical properties of a molecule and its biological activity. These models can be used to screen large chemical libraries and identify potential drug candidates or materials with desired properties. QSAR models can also be used to optimize the chemical structure of a molecule to improve its activity or properties. QSAR is a cost-effective and time-efficient approach to drug discovery and material science, as it reduces the need for expensive and time-consuming experimental assays.
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