AUTOMATED DERIVATION OF REACTION RULES FOR THE EROS 6.0 SYSTEM FOR REACTION PREDICTION

被引：44

作者：

ROSE, P ^{[1
]}

GASTEIGER, J ^{[1
]}

机构：

[1] TECH UNIV MUNICH,INST ORGAN CHEM,LICHTENBERGSTR 4,W-8046 GARCHING,GERMANY

来源：

ANALYTICA CHIMICA ACTA | 1990年 / 235卷 / 01期

关键词：

D O I：

10.1016/S0003-2670(00)82071-1

中图分类号：

O65 [分析化学];

学科分类号：

070302 ; 081704 ;

摘要：

The purpose of the EROS 6.0 system is to predict the products of chemical reactions and to model reaction mechanisms. This is accomplished by elementary reaction steps that are selected through the rules that constitute the knowledge base of the EROS 6.0 system. These rules are derived by methods of machine learning. The learning process is based on reaction in data bases. An overview of the EROS 6.0 system is given and the structure of the knowledge as well as the generation of reaction rules are described. © 1990.

引用

页码：163 / 168

页数：6

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