Findings of the Challenge To Predict Aqueous Solubility

نویسندگان

  • Anton J. Hopfinger
  • Emilio Xavier Esposito
  • Antonio Llinàs
  • Robert C. Glen
  • Jonathan M. Goodman
چکیده

The Solubility Challenge is based upon intrinsic solubility data measured in one laboratory for a set of biologically relevant compounds. More than 100 entries to the Solubility Challenge have been received. In several cases multiple entries came from the same person or group. In addition, more than 5% of the prediction sheet entries were incomplete in that predictions were not reported for all 32 compounds of the prediction set. These incomplete entries are not included in the overall findings given here, but the submitted prediction sheets, like those of all other entries, have been scored and will be returned by email to the contestants along with a copy of this report. Overall, 99 completed entries were scored and are reported here.

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عنوان ژورنال:
  • Journal of chemical information and modeling

دوره 49 1  شماره 

صفحات  -

تاریخ انتشار 2009