COMPUTER-ASSISTED ELUCIDATION OF STRUCTURES OF NATURAL-PRODUCTS

被引：9

作者：

MASSIOT, G

NUZILLARD, JM

机构：

[1] Laboratoire de Pharmacognosie (URA CNRS 492), Faculté de Pharmacie, Université de Reims Champagne-Ardenne, Reims, 51096

来源：

PHYTOCHEMICAL ANALYSIS | 1992年 / 3卷 / 04期

关键词：

STRUCTURE ELUCIDATION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; MASS SPECTROMETRY; COMPUTER METHODS;

D O I：

10.1002/pca.2800030403

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

An historical survey of the first computer programs capable of handling spectroscopic data and of transforming them into possible molecular structures is exemplified by some applications. Technological improvements of nuclear magnetic resonance spectroscopy now allow the direct collection of connectivity relationships between atoms, and the integration of this new kind of spectroscopic data by "intelligent" computer programs is demonstrated by the resolution of practical problems for which human expertise would not be straightforward.

引用

页码：153 / 159

页数：7

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