Statistical analysis of the effects of common chemical substituents on ligand potency.

@article{Hajduk2008StatisticalAO,
  title={Statistical analysis of the effects of common chemical substituents on ligand potency.},
  author={Philip J. Hajduk and Daryl R Sauer},
  journal={Journal of medicinal chemistry},
  year={2008},
  volume={51 3},
  pages={553-64}
}
The results of a statistical analysis of more than 84,000 compounds from lead optimization programs against 30 different protein targets is presented, with a focus on the effects that different chemical substituents have on compound potency. It is observed that the potency changes induced by most chemical groups follows a nearly normal distribution centered near zero (i.e., no effect on potency). However, the widths of the distributions vary significantly between different substituents, and… CONTINUE READING

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