Methods for applying the quantitative structure-activity relationship paradigm.

  title={Methods for applying the quantitative structure-activity relationship paradigm.},
  author={Emilio Xavier Esposito and Anton J. Hopfinger and Jeffry D. Madura},
  journal={Methods in molecular biology},
There are several Quantitative Structure-Activity Relationship (QSAR) methods to assist in the design of compounds for medicinal use. Owing to the different QSAR methodologies, deciding which QSAR method to use depends on the composition of system of interest and the desired results. The relationship between a compound's binding affinity/activity to its structural properties was first noted in the 1930s by Hammett and later refined by Hansch and Fujita in the mid-1960s. In 1988 Cramer and… CONTINUE READING

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