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ACD/Structure Elucidator continues to lead the market in development and peer review

Featured in more than 30 publications, including highly-cited and accessed journal articles, the scientific strengths of ACD/Structure Elucidator continue to be detailed in peer-reviewed literature.


Having featured in more than 30 scientific articles to date, ACD/Structure Elucidator continues to be the most peer-reviewed Computer-Assisted Structure Elucidation (CASE) software available in the commercial market. As the most mature and widely used commercial CASE system, the scientific strengths of Structure Elucidator have been repeatedly demonstrated in these publications, including some which remain the most highly-accessed articles in their respective journals:
·         Mikhail Elyashberg’s “Elucidating ‘undecipherable’ chemical structures using computer-assisted structure elucidation approaches” was one of the 10 most-accessed publications for Magnetic Resonance Chemistry in 2012
·         Gary Martin’s 2011 paper HSQC–ADEQUATE correlation: a new paradigm for establishing a molecular skeleton” remains one of the 10 most-cited publications of all time in Magnetic Resonance Chemistry
·         Mikhail Elyashberg’s Computer-assisted methods for molecular structure elucidation: realizing a spectroscopist’s dream from 2009 continues to be the most-accessed article of all time in the Journal of Cheminformatics

In 2012, the Royal Society of Chemistry also published Contemporary Computer-Assisted Approaches to Molecular Structure Elucidation”, the authoritative text on CASE techniques and software.  The book provides an understanding of the core principles, challenges, and insights into modern CASE systems, and was authored by the same experts responsible for the development of Structure Elucidator.

This year, Structure Elucidator will undergo further advancement when the latest version is released as part of the ACD/Spectrus software platform.  With enhanced data preparation enabled by the all-new ACD/NMR Workbook (included with the software) Structure Elucidator will continue to be the most advanced CASE system available.

Advanced Chemistry Development, Inc.
(ACD/Labs) is a chemistry software company that develops and commercializes enterprise and desktop solutions to support R&D efforts, and preserve and re-use legacy chemical and analytical knowledge. ACD/Labs’ areas of expertise include a unique knowledge management solution; spectroscopic data processing and interpretation for NMR, MS, LC/MS, IR, UV, other  optical, and hyphenated instrumental techniques; chemical structure confirmation, verification, and elucidation; impurity,  metabolism, and degradation research; ADME-Tox and physicochemical property prediction, and property-based lead optimization; chromatographic method development and optimization; and chemical nomenclature. We also provide integration with existing Informatics systems and undertake custom projects including enterprise-level automation. A private company founded in 1994, ACD/Labs has worldwide sales and support presence, with offices in N. America, Europe, and Asia. 


 Structure Elucidation
 CASE Peer Review
 NMR Structures
 Magnetic Resonance

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