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    Oct 28, 2003
      |  Journal Article

    Solubility Prediction by Recursive Partitioning

    Xia X, Maliski E, Cheetham J, Poppe L
    Keywords: decision tree, nuclear magnetic resonance (NMR), recursive partioning, solubility predictionSoftware: MedChem Studio™Publication: Pharm Res

    Purpose

    To build and test a computational model for predicting small molecule solubility, to improve the cost-effectiveness of the selection of vendor compounds suitable for nuclear magnetic resonance (NMR) screening.

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