AUTONOM - SYSTEM FOR COMPUTER TRANSLATION OF STRUCTURAL DIAGRAMS INTO IUPAC-COMPATIBLE NAMES .1. GENERAL DESIGN

被引:21
作者
WISNIEWSKI, JL
机构
[1] Beilstein Institute, D-6000 Frankfurt/Main 90
来源
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 1990年 / 30卷 / 03期
关键词
D O I
10.1021/ci00067a018
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The rules for assigning the systematic name to a structure are complex and frequently lead to ambiguous names. It is this difficulty in assigning names that can be overcome by a program which uniquely translates graphic structures into IUPAC-compatible text names and is readily available as a personal computer tool. The algorithm developed for AUTONOM analyzes the compound’s structural diagram, input via a graphic interface, and generates the name purely on the basis of the resulting molecular connection table. This paper describes the design of AUTONOM, presents an analysis of important software and chemical nomenclature solutions adopted during the work on the system, and discusses the system’s current accuracy and reliability. © 1990, American Chemical Society. All rights reserved.
引用
收藏
页码:324 / 332
页数:9
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