Towards an expert system for enantioseparations: Induction of rules using machine learning

被引：9

作者：

Bryant, CH

Adam, AE

Taylor, DR

Rowe, RC

机构：

[1] UNIV MANCHESTER,INST SCI & TECHNOL,MANCHESTER M60 1QD,LANCS,ENGLAND

[2] ZENECA PHARMACEUT,MACCLESFIELD SK10 2NA,CHESHIRE,ENGLAND

来源：

CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS | 1996年 / 34卷 / 01期

基金：

英国工程与自然科学研究理事会;

关键词：

expert systems; enantioseparations; machine learning;

D O I：

10.1016/0169-7439(96)00016-0

中图分类号：

TP [自动化技术、计算机技术];

学科分类号：

0812 [计算机科学与技术];

摘要：

A commercially available machine induction tool was used in an attempt to automate the acquisition of the knowledge needed for an expert system for enantioseparations by high performance liquid chromatography using Pirkle-type chiral stationary phases (CSPs). Various rule-sets were induced that recommended particular CSP chiral selectors based on the structural features of an enantiomer pair. The results suggest that the accuracy of the optimal rule-set is 63% +/- 3%, which is more than ten times greater than the accuracy that would have resulted from a random choice.

引用

页码：21 / 40

页数：20

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