Tautomerism, Hammett sigma, and QSAR

  title={Tautomerism, Hammett sigma, and QSAR},
  author={Yvonne C. Martin},
  journal={Journal of computer-aided molecular design},
  volume={24 6-7},
A consideration of equilibrium model-based equations suggests that tautomeric equilibria do not markedly affect observed potency if the tautomer bound represents at least 50% of the compound in solution. Tautomeric equilibria can enhance or attenuate the correlation of potency with Hammett sigma. Additionally, tautomeric equilibria can lead to a correlation of potency with sigma even in the absence of a correlation of binding with sigma. 

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