Evaluation of a 1H-13C NMR Spectral Library

Journal of Chemical Information and Computer Sciences

Volumn 41, Issue 6, 2001, Pages 1463-1469

  Smith, S K ^a   Cobleigh, J ^a   Svetnik, V ^a  

^a MERCK RESEARCH LABORATORIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE;

DATA SETS;

COMPUTER SIMULATION; COMPUTER SOFTWARE; DATABASE SYSTEMS; MONTE CARLO METHODS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PERTURBATION TECHNIQUES;

ORGANIC COMPOUNDS;

EID: 0035526142     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci010324m     Document Type: Article

References (9)

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4. Bodenhausen, G.; Ruben, D. J. HSQC Chem. Phys. Lett. 1980, 69, 185-188.
5. 13C NMR spectra for structure identification of natural product compounds. Anal. Chim. Acta 1995, 316, 161-171.
6. Balducci, R.; Pearlman, R. S. Efficient Exact Solution of the Ring Perception Problem. J. Chem. Inf. Comput. Sci. 1994, 34, 822-831.
7. Grzonka, M.; Davies, A. N. Emperical Investigation on the Reproducibility of 13C NMR Shift Values. J. Chem. Inf. Comput. Sci. 1998, 38, 1096-1101.
8. Bendall, M. R.; Doddrell, D. M.; Pegg, D. T. DEPT. J. Am. Chem. Soc. 1981, 103, 4603-4605.
9. Tsou, H.-R.; et al. Biosynthetic Origin of the Carbon Skeleton and Oxygen Atoms of the LL-F28249-alpha. A Potent Antiparasitic Macrolide. J. Antibiotics 1989, 42(3), 398-406.