ZINC:History

This is the history of the web interface to ZINC. The database itself - i.e. the collection of molecules - is continuously updated. For citation, we recommend giving the name of the subset, the date it was generated, and the date it was downloaded. For instance: ZINC lead-like subset containing 3.74M molecules, dated Dec 1, 2011 and downloaded on Dec 15, 2011. IF you downloaded an ad hoc subset, we recommend you cite the search criteria, the date, and the number of molecules. Please cite our paper: Irwin, Sterling, Mysinger, Bolstad and Coleman, J. Chem. Inf. Model. 2012, accepted for publication DOI: 10.1021/ci3001277. You might also want to cite the original ZINC paper, Irwin and Shoichet, J. Chem. Inf. Model. 2005;45(1):177-82.

Current

• ZINC 12. Jan 1, 2012. Major update and many new features.

Past

• ZINC 11. April 2010. New Search interface with ChemAxon JChemBase/MySQL as the search engine.
• ZINC 10. Feb. 2010. Internal release. Moved to SVN. Minor restructuring.
• ZINC 9. Internal use only. Not publicly released.
• ZINC 8. June 18th, 2008. Last major release before we started using ChemAxon as the backend.
• ZINC 7. Jan 1, 2007. Incremental release, and looks much like ZINC 6.
• ZINC 6. Jan 1, 2006. Major release. All molecular geometries were re-created from scratch.
• ZINC 5. Jan 1, 2005. Major release. Coincided with the publication of the ZINC paper.
• ZINC 1-4. Early internal development versions prior to publication.

Future

• we have many new and we hope good things in the works. Stay tuned.