Clustering tendency in chemical classifications

• Published in: Journal of chemical information and computer sciences Vol. 25; no. 2; pp. 78 - 80
• Main Author: Willett, Peter
• Format: Journal Article
• Language: English
• Published: Washington, DC American Chemical Society 01.05.1985
• Subjects: Chemistry; Clustering; Computerized information storage and retrieval; Computerized subject indexing; Exact sciences and technology; General aspects; Information and communication sciences; Information retrieval systems. Information and document management system; Information science. Documentation; Information storage and retrieval; Information work; Sciences and techniques of general use; Staff relations; Subject indexing; System design and modelling; Technical services; Terms; Cluster analysis; Chemistry; Methodology; Classification
• ISSN: 0095-2338; 1520-5142
• DOI: 10.1021/ci00046a004

Increasing use is being made of cluster analysis methods for the analysis of chemical data. A clustering method will always result in some degree of grouping when it is applied to a data set, and it is thus of importance to know whether the data set exhibits any real tendency to cluster. This paper tests the applicability of a cluster validity method to several chemical data sets.