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ZINC: A Free Tool to Discover Chemistry for Biology
Open accessAbstract
ZINC is a free public resource for ligand discovery. The database contains over twenty million commercially available molecules in biologically relevant representations that may be downloaded in popular ready-to-dock formats and subsets. The Web site also enables searches by structure, biological activity, physical property, vendor, catalog number, name, and CAS number. Small custom subsets may be created, edited, shared, docked, downloaded, and conveyed to a vendor for purchase. The database is maintained and curated for a high purchasing success rate and is freely available at zinc.docking.org.
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ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
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“Some of the common SMILES datasets are: ZINC [145], Tox21 [146] and PubChem [147].”
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“7 million drug-like compounds from the ~6 million purchasable chemical space of the ZINC12 molecular database [145,146] reduced by physicochemical properties, including charge, number of rotatable bonds, and number of rings.”
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Metadata
- Authors
- Irwin, J. J., Sterling, T., Mysinger, M. M., Bolstad, E. S., & Coleman, R. G.
- Venue
- Journal of Chemical Information and Modeling
- Publisher
- American Chemical Society (ACS)
- Published
- 2012-06-15
- Volume
- 52
- Issue
- 7
- Pages
- 1757-1768
- ISSN
- 1549-9596 (ISSN-L)
- 1549-960X
- OpenAlex
- W2027482274
- Cited by
- 2,509
- References
- 7
- FWCI
- 162.23
- Type
- journal article
- Language
- en
- Open access
- hybrid
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