Computer-assisted structure elucidation of natural products with limited 2D NMR data: application of the StrucEluc system
نویسندگان
چکیده
1 Advanced Chemistry Development, Moscow Department, 6 Akademik Bakulev St., Moscow 117513, Russia 2 Advanced Chemistry Development Inc., 90 Adelaide Street, Suite 702, Toronto, Ontario, Canada, M5H 3V9 3 Rapid Structure Characterization Group, Global Pharmaceutical Sciences, Pharmacia Corporation, 7000 Portage Road, Kalamazoo, Michigan 49001-0199, USA 4 Novosibirsk Institute of Organic Chemistry, Siberian Branch of the Russian Academy of Science, Lavrentiev Avenue 9, Novosibirsk 630090, Russia
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BACKGROUND This article coincides with the 40 year anniversary of the first published works devoted to the creation of algorithms for computer-aided structure elucidation (CASE). The general principles on which CASE methods are based will be reviewed and the present state of the art in this field will be described using, as an example, the expert system Structure Elucidator. RESULTS The devel...
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تاریخ انتشار 2003