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Deadline for Submissions:
September 15, 2008
+$*4%
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Are you up to the challenge? Predict the Solubilities of 32 Molecules in the JCIM Solubility Challenge. 1VCMJTIFECZUIF"NFSJDBO$IFNJDBM4PDJFUZ
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Editor-in-Chief: William L. Jorgensen Yale University
The Journal of Chemical Information and Modeling is issuing a Solubility Prediction Challenge based on the article: “Solubility Challenge: Can You Predict Solubilities of Thirty-Two Molecules Using a Database of One Hundred Reliable Measurements?” Llinàs, A.; Glen, R.; Goodman, J.;
J. Chem. Inf. Model., 2008; 48(7). DOI: 10.1021/ci800058v
Goal: Advance our general understanding of how to better perform solubility estimations. Associate Editors: A. J. Hopfinger University of New Mexico Dusanka Janezic National Institute of Chemistry Wendy Warr Wendy Warr & Associates
The information and data garnered from this challenge will be analyzed in terms of identifying, for example, what classes of chemistry seem most difficult to predict and what range in solubility can currently be best predicted. The intrinsic aqueous solubilities of the 100 compounds can be used with any other data, and any methodology, the contestant wishes to employ to predict the intrinsic aqueous solubility of each of 32 test set compounds listed in the manuscript. The Editors will decide upon a presentation of the results and findings from this challenge most consistent with the goal stated above. For complete details about the challenge, including rules, scoring, and entry form, go to: http://pubs.acs.org/JCIM
