Challenges for computational structure-activity modelling for predicting chemical toxicity: future improvements?

@article{Combes2011ChallengesFC,
  title={Challenges for computational structure-activity modelling for predicting chemical toxicity: future improvements?},
  author={Robert David Combes},
  journal={Expert opinion on drug metabolism & toxicology},
  year={2011},
  volume={7 9},
  pages={
          1129-40
        }
}
INTRODUCTION Structure-activity modelling for predicting toxicology as a discipline is now 50 years old, and great strides have been taken in developing methods for the physicochemical analysis of molecules and their toxicity evaluation, both essential stages in modelling. Computational toxicology also has huge potential for speeding up the screening and prioritisation of chemicals for further testing and for reducing the numbers of expensive and time-consuming conventional tests. Yet, the… CONTINUE READING

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