International Union of Crystallography chooses ChemAxon Name to Structure technology

news · 11 years ago
The International Union of Crystallography (IUCr) has signed an agreement with ChemAxon to use their "Name to Structure" and "Marvin" software to help ensure the quality of the IUPAC nomenclature in articles published in IUCr Journals. The software will be used alongside the program OPSIN (developed by the Unilever Cambridge Centre for Molecular Informatics) to aid with naming small molecule structures. This continues the long-term policy of IUCr Journals of requiring all reported structures to have an IUPAC chemical name. IUCr Journals will also shortly start to encourage authors to submit chemical connectivity (MOL, CML) files of reported structures with their articles. These files will be supplied as part of the supplementary materials for each article and will be used to provide InChI (International Chemical Identifier) keys for the article, making the structures easier to find in the chemical literature. About the International Union of Crystallography The International Union of Crystallography is a scientific union whose objectives are to promote international cooperation in crystallography and to contribute to all aspects of crystallography, to promote international publication of crystallographic research, to facilitate standardization of methods, units, nomenclatures and symbols, and to form a focus for the relations of crystallography to other sciences. The IUCr fulfils its publication objectives by producing primary scientific journals and reference works such as International Tables for Crystallography. About ChemAxon ChemAxon is a leader in providing cheminformatics software development platforms and applications for the biotechnology, pharmaceutical and agrochemical industries. With core capabilities for structure visualization, search and management, property prediction, virtual synthesis, screening and drug design, ChemAxon focuses upon active interaction with users and software portability to create powerful, cost effective cross platform solutions and programming interfaces to power modern cheminformatics and chemical communication.