for Physical Chemists by Physical Chemists


Learning from the Solubility Challenge

Dr Jonathan Goodman, University of Cambridge

In 2008, we ran a competition to predict solubilities: the solubility challenge. Our measurements of the solubilities of a hundred drug-like molecules were published. The competition was to predict the solubilities of thirty-two other molecules. The competition had almost a hundred entries, and the results show both that approximate solubility prediction is possible and also that accurate solubility calculation remains elusive

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Last modified: 28 April 2008