7. Quantitative relationships between structure and activity
The above qualitative methods provide step-by-step access to compounds with biological activity. In some cases, the derivatives obtained are agonists with enhanced activity; in others, antagonists or partial agonists are obtained.
However, qualitative methods can lend themselves to quantification insofar as a chemical structural modification (change of a substituent or its position on a ring) results in a quantified biological property that can be represented by a mathematical equation. This "de novo" technique was developed by Free-Wilson.
Quantitative methods were also initiated by C. Hansch [23].
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Hansch method
This method studies the relationship between the physical and chemical properties of a series of existing molecules and their biological properties, with...
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Quantitative relationships between structure and activity
Stereoisomerism and drugs
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References
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