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LUCY—A Program for Structure Elucidation from NMR Correlation Experiments
Author(s) -
Steinbeck Christoph
Publication year - 1996
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.199619841
Subject(s) - task (project management) , computer science , diagram , correlation , computer program , interface (matter) , information retrieval , programming language , mathematics , database , engineering , geometry , systems engineering , bubble , maximum bubble pressure method , parallel computing
To test all possible interpretations of the ambiguous information from an HMBC diagram is a task that for a person is at best tedious and at worst impossible, but that is straightforward for a computer. That effective structure elucidation can be conducted in this manner is shown by the program LUCY, the user interface of which is shown below.