Development of QSAR models for microsomal stability: identification of good and bad structural features for rat, human and mouse microsomal stability

@article{Hu2010DevelopmentOQ,
  title={Development of QSAR models for microsomal stability: identification of good and bad structural features for rat, human and mouse microsomal stability},
  author={Yongbo Hu and Raymond J. Unwalla and R. Aldrin Denny and Jack Bikker and Li Di and Christine Humblet},
  journal={Journal of computer-aided molecular design},
  year={2010},
  volume={24 1},
  pages={23-35}
}
High throughput microsomal stability assays have been widely implemented in drug discovery and many companies have accumulated experimental measurements for thousands of compounds. Such datasets have been used to develop in silico models to predict metabolic stability and guide the selection of promising candidates for synthesis. This approach has proven most effective when selecting compounds from proposed virtual libraries prior to synthesis. However, these models are not easily interpretable… CONTINUE READING
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