| Automatic Structure Determination of Organic Molecules： Principle and Implementation of the LSD Program |
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| 作者姓名： | NUZILLARD Jean-Marc |
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| 作者单位： | PharmacognosyLaboratory,UMRCNRS6013,UniversityofReims,MoulindelaHousse,BP1039,51687REIMSCedex2,France |
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| 摘 要： | The LSD (Logic for Structure Determination) program gener-ates organic molecular structures from 1D and 2D NMR data without resorting to chemical shift databases. Its use in the res-olution of natural product structure determination problems has been already reported in the literature. This paper describes how data and structures are internally represented and pro-cessed by LSD to build solution structures.
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| 关 键 词： | 结构测定 有机分子 核磁共振 关联能谱法 结构分析 |
Automatic Structure Determination of Organic Molecules:Principle and Implementation of the LSD Program |
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| NUZILLARD,Jean-Marc.Automatic Structure Determination of Organic Molecules:Principle and Implementation of the LSD Program[J].Chinese Journal of Chemistry,2003,21(10):1263-1267. |
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| Authors: | NUZILLARD Jean Marc Pharmacognosy Laboratory UMR CNRS University of Reims Moulin de la Housse BP REIMS Cedex France |
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| Institution: | NUZILLARD,Jean Marc Pharmacognosy Laboratory,UMR CNRS 6013,University of Reims,Moulin de la Housse,BP 1039,51687 REIMS Cedex 2,France |
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| Abstract: | The LSD (Logic for Structure Determination) program generates organic molecular structures from 1D and 2D NMR data without resorting to chemical shift databases. Its use in the resolution of natural product structure determination problems has been already reported in the literature. This paper describes how data and structures are internally represented and processed by LSD to build solution structures. |
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| Keywords: | structure elucidation nuclear magnetic resonance correlation spectroscopy |
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