Prediction of aqueous solubility of a diverse set of compounds using quantitative structure-property relationships.

@article{Cheng2003PredictionOA,
  title={Prediction of aqueous solubility of a diverse set of compounds using quantitative structure-property relationships.},
  author={Ailan Cheng and Kenneth M. Merz},
  journal={Journal of medicinal chemistry},
  year={2003},
  volume={46 17},
  pages={3572-80}
}
"Fail early and fail fast" is the current paradigm that the pharmaceutical industry has adopted widely. Removing non-drug-like compounds from the drug discovery lifecycle in the early stages can lead to tremendous savings of resources. Thus, fast screening methods are needed to profile the large collection of synthesized and virtual libraries involved in the early stage. Solubility is one of the filters that are applied extensively to ensure that the compounds are reasonably soluble so that… CONTINUE READING

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