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Concept定量构效关系 / Quantitative Structure-Activity Relationship

QSAR

A methodology that uses mathematical models to establish quantitative relationships between molecular structural features and biological activity. It is a classical modeling paradigm in drug discovery and computational chemistry.

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Oct 19

The modern form of computational toxicology, the quantitative structure-activity relationship (QSAR) model, predicts biological activity endpoints such as toxicity through molecular structure descriptors of compounds.

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Sep 20

QSAR (Quantitative Structure-Activity Relationship) establishes quantitative relationships between molecular structural features and biological activity through mathematical models, and is the most classical modeling paradigm in AIDD.

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