Single linkage cluster analysis

Structure-Activity Analysis is an exploratory tool which performs single linkage clustering analysis for small molecules and their biological screening information in a "heatmap" style display. With this web based tool, a list of assays may be... 

Gower, J.C. and Ross, GJ.S. (1969) Minimum spanning trees and single linkage cluster analysis... 

Perform a single linkage cluster analysis (SLCA) by removing all edges from the MST characterized by weights above a given threshold Dj. 

Allen, F. H., Doyle, M. J., and Taylor, R. / Automated conformational analysis from crystallographic data. 1. A symmetry-modified single-linkage clustering algorithm for three-dimensional pattern recognition. Acta Cryst. B47, 29-40 (1991). 

Of the four different methods of cluster analysis applied, the method of Ward described in the Clustan User Manual (10), worked best when compared to the single-, complete-, or average-linkage methods. Using Ward s method, two clusters, Gn and Gm, are fused when by pooling the variance within two existing clusters the variance of the so formed clusters increases minimally. The variance or the sum of squares within the classes will be chosen as the index h of a partition. 

Dendrograms for cluster analysis of the hair data in Table 5.1 based on the Euclidean distance and the single linkage (A) or Ward method (B). 

The result of a cluster analysis using a single linkage method (without transformation of data) is given in the two dendrograms of FIGURES 4 and 5. 

If the rate constants for parallel reactions are to be resolved, then analysis of the products is essential (Sec. 1.4.2). This is vital for understanding, for example, the various modes of deactivation of the excited state (Sec. 1.4.2), Only careful analysis of the products of the reactions of Co(NH3)jH20 + with SCN, at various times after initiation, has allowed the full characterization of the reaction (1.95) and the detection of linkage isomers. Kinetic analysis by a number of groups failed to show other than a single second-order reaction.As a third instance, the oxidation of 8-Fe ferredoxin with Fe(CN)g produces a 3Fe-cluster, thus casting some doubt on the reaction being a simple electron transfer. 

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