STRUCTURE REACTION TYPE PARADIGM IN THE CONVENTIONAL METHODS OF DESCRIBING ORGANIC-REACTIONS AND THE CONCEPT OF IMAGINARY TRANSITION STRUCTURES OVERCOMING THIS PARADIGM

被引:23
作者
FUJITA, S
机构
[1] Fuji Photo Film Co, Kanagawa, Jpn, Fuji Photo Film Co, Kanagawa, Jpn
来源
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 1987年 / 27卷 / 03期
关键词
CHEMICAL REACTIONS - Computer Applications - INFORMATION RETRIEVAL SYSTEMS - Design;
D O I
10.1021/ci00055a006
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The description of organic reactions is discussed from the viewpoint of a sructure-reaction type (SRT) paradigm, in which structural information and reaction type are stored and manipulated more or less independently. This paradigm must be overcome in order to construct an integrated system that will support both retrieval of organic reactions and synthetic design. The concept of imaginary transition structures (ITS) is introduced as a unitary representation free from the SRT paradigm.
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页码:120 / 126
页数:7
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