Assessing the validity of QSARs for ready biodegradability of chemicals: an applicability domain perspective.

@article{Sahigara2014AssessingTV,
  title={Assessing the validity of QSARs for ready biodegradability of chemicals: an applicability domain perspective.},
  author={Faizan Sahigara and Davide Ballabio and Roberto Todeschini and Viviana Consonni},
  journal={Current computer-aided drug design},
  year={2014},
  volume={10 2},
  pages={137-47}
}
Several classical and two recently proposed Applicability Domain (AD) approaches were implemented on a set of three classification models retrieved from a published study to assess the ready biodegradability of chemicals. Each model was associated with an optimal AD approach based on its ability to a) retain maximum test molecules within the model's AD, b) be appropriate for the strategy used towards model development and c) show reasonably converging results with those derived with other AD… CONTINUE READING

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