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Application of the C4.5 classifier to building an expert system for ion chromatography

journal contribution
posted on 2023-05-16, 09:52 authored by Mulholland, M, Hibbert, DB, Paul HaddadPaul Haddad, Sammut, C
A classifier based on the philosophy of induction is used to create rules for the choice of a detector for ion chromatography (IC). A data base of over 4000 instances was used to obtain suitable classifications, that were initially compiled for use in Haddad and Jackson's recent monograph on IC. The properties of an ion chromatography method that were used for rule building were solute name, separation mechanism, application, number of solutes, ion class, halide type, sulphate presence, nitrate presence, and whether a suppressor or post column detection was used. The classifier, C4.5, chooses the property that maximises the amount of information gained. By examining properties that relate to a given class, C4.5 operates a top—down induction process. A tree with 62 rules was derived from this data base. The evaluation of these rules against two test sets showed that 70% of the proposed methods were an exact match with the published methods and a further 22% gave practical methods as assessed by our expert.

History

Publication title

Chemometrics and Intelligent Laboratory Systems

Volume

27

Pagination

95-104

ISSN

0003-2700

Department/School

School of Natural Sciences

Publisher

Elsevier Science B.V.

Place of publication

england

Rights statement

The definitive version is available at http://www.sciencedirect.com

Repository Status

  • Restricted

Socio-economic Objectives

Expanding knowledge in the chemical sciences

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