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Review
. 2008 Jun:Chapter 14:14.6.1-14.6.23.
doi: 10.1002/0471250953.bi1406s22.

Using ZINC to acquire a virtual screening library

John J Irwin  1
Affiliations
Review

Using ZINC to acquire a virtual screening library

John J Irwin. Curr Protoc Bioinformatics. 2008 Jun.

Abstract

The ZINC database of commercially available compounds contains biologically relevant representations of purchasable compounds in ready-to-screen formats. ZINC uses catalogs from over 50 compound vendors, changing from time to time to reflect newly available compounds and depleted stock. ZINC is available in subsets that reflect current opinion in the field such as "fragment-like" and "lead-like," and has a facility to create additional small ad hoc subsets. ZINC has a search facility, as well as a service to process molecules that are not in ZINC by uploading them to a server.

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References

Literature Cited

References
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Key References
    1. Huang, N., Shoichet, B.K., and Irwin, J.J. 2006. Benchmarking sets for molecular docking. J. Med. Chem. 49:6789-6801.
    1. Irwin, J.J. 2006. How good is your screening library? Curr. Opin. Chem. Biol. 10:352-356.
    1. Irwin, J.J. and Shoichet, B.K. 2005. ZINC: A database of commercially available compounds for virtual screening. J. Chem. Inf. Model 45:177-182.
Internet Resources
    1. http://zinc.docking.org/
    1. http://daylight.com
    1. http://dock.compbio.ucsf.edu
    1. http://emolecules.com
    1. http://pubchem.ncbi.nlm.nih.gov/

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