In silico quantitative structure toxicity relationship of chemical compounds: some case studies.

@article{Deeb2012InSQ,
  title={In silico quantitative structure toxicity relationship of chemical compounds: some case studies.},
  author={Omar Deeb and Mohammad Goodarzi},
  journal={Current drug safety},
  year={2012},
  volume={7 4},
  pages={289-97}
}
Undesirable toxicity is still a major block in the drug discovery process. Obviously, capable techniques that identify poor effects at a very early stage of product development and provide reasonable toxicity estimates for the huge number of untested compounds are needed. In silico techniques are very useful for this purpose, because of their advantage in reducing time and cost. These case studies give the description of in silico validation techniques and applied modeling methods for the… CONTINUE READING