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Computer-assisted structure elucidation

Wikipedia contributorsAdapted for Fathomly · View authors
1 min read
Source updated June 2, 2025

Computer-assisted structure elucidation (or CASE) is the technique of using software to generate all possible molecular structures that are consistent with a particular set of spectroscopic data. The subject has been often reviewed. Available CASE software include LSD, SENECA, COCON, CMC-se, and Structure Elucidator.

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This article is adapted from the Wikipedia article “Computer-assisted structure elucidation”, written by its contributors and licensed under CC BY-SA 4.0. Fathomly has changed the layout, removed citation markers, navigation and maintenance notices, and adjusted punctuation. This adapted version is shared under the same license. For references, see the original article.

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