COMPUTER-ASSISTED ANALYSIS IN ORGANIC-SYNTHESIS
COMPUTER-ASSISTED ANALYSIS IN ORGANIC-SYNTHESIS
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DOI：
10.1126/science.3838594
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发表时间：
1985-01-01
期刊：
影响因子：
56.9
通讯作者：
RUBENSTEIN, SD
中科院分区：
文献类型：
--
作者：
COREY, EJ;LONG, AK;RUBENSTEIN, SD
通过制定可应用于广泛问题的指导策略，可以促进复杂有机分子合成替代路线的规划。有机合成分析可以逆合成方向进行，与化学合成的实际过程相反，也可以双向进行，即逆合成与合成搜索相结合。描述了一个交互式计算机程序，该程序利用反合成分析的一般策略和适当的数据库来生成用于化学合成特定目标结构的化学中间体的途径。计算机图形学和标准化学结构用于人机通信。
The planning of alternative routes for the synthesis of complex organic molecules has been facilitated by the formulation of guiding strategies that can be applied to a broad range of problems. Analysis of organic synthesis can be carried out in the retrosynthetic direction, opposite to the actual process of chemical synthesis, or bidirectionally, that is, as a combined retrosynthetic and synthetic search. An interactive computer program is described which utilizes the general strategies of retrosynthetic analysis and an appropriate database to generate pathways of chemical intermediates for chemical synthesis of a particular target structure. Computer graphics and standard chemical structures are used for man-machine communication.