首页> 外文会议>International Conference on Knowledge-Based Intelligent Information and Engineering Systems(KES 2005) pt.1; 20050914-16; Melbourne(AU) >A Novel Approach to Retrosynthetic Analysis Utilizing Knowledge Bases Derived from Reaction Databases
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A Novel Approach to Retrosynthetic Analysis Utilizing Knowledge Bases Derived from Reaction Databases

机译:利用反应数据库中的知识库进行逆合成分析的新方法

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摘要

Novel approach to empirical retrosynthetic analysis of computer-assisted synthesis design is proposed using the KOSP (Knowledge base-Oriented system for Synthesis Planning) system. KOSP has four functions: (1) strategic site pattern perception, (2) precursor skeleton generation, (3) retrosynthetic scheme evaluation, and (4) retrosynthetic analysis termination. This system is based on knowledge bases in which reactions are abstracted by structural and/or stereo characteristics of reaction sites and their environments. This paper describes the framework of KOSP and results of its execution.
机译:提出了一种使用KOSP(面向知识库的面向综合计划的系统)系统对计算机辅助综合设计进行经验性逆向综合分析的新方法。 KOSP具有四个功能:(1)战略性站点模式感知,(2)前驱体骨架生成,(3)逆合成方案评估和(4)逆合成分析终止。该系统基于知识库,其中通过反应部位及其周围环境的结构和/或立体特征抽象反应。本文介绍了KOSP的框架及其执行结果。

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