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Alternative TitleDevelopment of the available chemicals database for synthesis
陈旭东; 王利莎; 袁身刚; 郑崇直
Source Publication计算机与应用化学
Abstract可用合成原料数据库是计算机辅助合成设计系统不可少的组成部分。 本文介绍建立可用合成原料数据库所需考虑的几个主要问题: 入库化合物的来源、入选原则、建立数据库的方法等。 同时, 本文还简单介绍了已初步建成的含有.3 400多个化合物的可用原料数据库。
Other AbstractAvailabel chemicals database is anecessary part of a computer-assisted synthesis design system. The key points of developing available chemicals database, including the source of compounds, the rules of selecting compounds and the implementation of the dtabase are discussed.The newly developed available chemicals database, which collects 3 400 compounds, is briefly introduced.
Subject Area计算机化学与化学信息学
Document Type期刊论文
Corresponding Author袁身刚
Recommended Citation
GB/T 7714
陈旭东,王利莎,袁身刚,等. 可用合成原料数据库的建立[J]. 计算机与应用化学,1999,16(3):171-174.
APA 陈旭东,王利莎,袁身刚,&郑崇直.(1999).可用合成原料数据库的建立.计算机与应用化学,16(3),171-174.
MLA 陈旭东,et al."可用合成原料数据库的建立".计算机与应用化学 16.3(1999):171-174.
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