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August 26, 2011
Design a Molecule, Win an IPad (Which is More Than You Usually Get)
For those of you who are (or have always wanting to try being) molecular modelers, Cresset Design is holding a contest you might enjoy. They're putting up a molecule and giving out temporary licenses to their modeling software, and inviting people to come up with the closest bioisosteric match. The winner gets a free IPad2.
Of course, you're not going to be able to win by suggesting a para-fluoro group or by making a tetrazole-for-carboxylate switch. In their words:
We will use the Field alignment score for your molecule to the reference molecule as the primary judgment in designing the winner. However, molecules with high 2D similarity or high calculated logP with receive a penalty and are unlikely to win. Also entries with reasonable chemistry and good synthetic feasibility will be favoured. Feedback showing the score for your molecule and describing which properties of the molecule are being penalised will be provided on request. The winner will be the molecule that, in the opinion of the judges, represents the best design chosen from the top scoring results.
Fair enough, I'd say. I look forward to a follow-up from them at the end of the contest; I'd like to see what sort of stuff comes in.
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