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An expert system for automated structure elucidation utilizing 1H-1H, 13C-1H and 15N-1H 2D NMR correlations.
Fresenius J Anal Chem. 2001 Apr;369(7-8):709-14. doi: 10.1007/s002160100757.
Fresenius J Anal Chem. 2001.
PMID: 11371077
Application of a new expert system for the structure elucidation of natural products from their 1D and 2D NMR data.
Elyashberg ME, Blinov KA, Williams AJ, Martirosian ER, Molodtsov SG.
Elyashberg ME, et al. Among authors: martirosian er.
J Nat Prod. 2002 May;65(5):693-703. doi: 10.1021/np0103315.
J Nat Prod. 2002.
PMID: 12027744
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Structure Elucidator: a versatile expert system for molecular structure elucidation from 1D and 2D NMR data and molecular fragments.
Elyashberg ME, Blinov KA, Williams AJ, Molodtsov SG, Martin GE, Martirosian ER.
Elyashberg ME, et al. Among authors: martirosian er.
J Chem Inf Comput Sci. 2004 May-Jun;44(3):771-92. doi: 10.1021/ci0341060.
J Chem Inf Comput Sci. 2004.
PMID: 15154743
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