APPLICATION OF ARTIFICIAL INTELLIGENCE FOR CHEMICAL INFERENCE .25. COMPUTER-PROGRAM FOR AUTOMATED EMPIRICAL C-13-NMP RULE FORMATION

被引：24

作者：

MITCHELL, TM

SCHWENZER, GM

机构：

[1] Department of Computer Science, Stanford University, Stanford, California

来源：

ORGANIC MAGNETIC RESONANCE | 1978年 / 11卷 / 08期

关键词：

D O I：

10.1002/mrc.1270110803

中图分类号：

O65 [分析化学];

学科分类号：

070302 ; 081704 ;

摘要：

A computer program which generates empirical rules associating 13C NMR shifts with local structural environments is described. The program uses a heuristic method to search for common structural features for those carbon atoms exhibiting similar shifts. Rules have been generated by our program from a combined set of acyclic amine and paraffin data. Examples of these rules are presented, and their performance as a tool for structure elucidation is examined. Copyright © 1978 Heyden & Son Ltd.

引用

页码：378 / 384

页数：7

共 13 条

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DALRYMPLE, DL
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