ZINC-12: A tool for the discovery, prioritization and acquisition of commercially available small molecule reagents for biology

The web interface of the ZINC database (ZINC Is Not Commercial) has been redesigned to simplify the process of finding commercially available small molecules of biological interest and then organizing and prioritizing these compounds for purchase. Perhaps the single most significant feature is the use of a shopping cart metaphor to organize and manage results over the life of a project. This talk presents four common use cases: A) starting from a single molecule, identify analogs; B) starting from a single molecular target, identify purchasable annotated compounds, purchasable analogs of these, or purchasable predicted compound; C) starting from a set of actives, perform SAR by catalog and prioritize the results; D) starting from docking results, prioritize the best compounds for purchase. Until its release in the fall of 2011, this new ZINC interface is available at http://zinc12.docking.org/

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