Cluster complete-linkage

Figure 3. Complete linkage cluster analysis unweighted interaction.

Allen, F. H., Doyle, M. J., and Taylor, R. Automated conformational analysis from crystallographic data. 2. Symmetry-modified Jarvis-Patrick and complete-linkage clustering algorithms for three-dimensional pattern recognition. Acta Cryst. B47, 41-49 (1991). 

Figure 5.5.6. Dendrogram with complete linkage clustering based on Table 5.5.3 similarities.

Complete linkage clustering, 106 Conditional probability, 127, 129 Confusion matrix, 127 Contingency table, 127 Convolution, 38 Cophenetic values, 98 Correlation coefficient, 17, 18,69,96, 176... 

Complete linkage clustering The distance between two clusters A and B is defined as the distance between the most distant pair of objects, one from each cluster ... 

Allen, F.H. Doyle, M.J. Taylor, R. Automated Conformational Analysis from Crystallographic Data. 2 Symmefry-Modified Jarvis-Patrick and Complete-Linkage Clustering Algorithms for 3-D Pattern Recognition. Acta Crystallogr., 1991, B47, 41-49. 

Twenty populations were sampled with plants from Hailuoto, at 65°00 N, representing the northernmost site and material from Hanko, at 59°49 N, representing the southernmost collection site (and, incidentally, the southernmost point of land in the country). Five samples represented central Finland with the remainder originating from the southern part. Fifty-five compounds were detected by GC-MS analysis, 53 of which were identified. The data obtained were subjected to complete linkage analysis, which differentiated several clusters that corresponded moderately well with geography. Genetic distance values derived from the RAPD data correlated well with chemical distance values determined from the terpene data (r=0.41, P<0.0001). 

Figure 2.13 Vhe use of cluster analysis to display the sisilarity of stationary phases with the complete linkage furthest neighbor dendrogras.

There exist several methods of hierarchical clustering which use diverse measures of distance or similarity, respectively, e.g., single linkage, complete linkage, average linkage, centroid linkage, and Ward s method (Sharaf et al. [1986], Massart et al. [1988], Otto [1998] Danzer et al. [2001]). 

FIGURE 3.24 Dendrogram of fatty acid concentration data from mummies and reference samples. Hierarchical cluster analysis (complete linkage) with Euclidean distances has been applied. 

Compute the distances between all clusters using complete linkage, single linkage, average linkage, or other methods. 

FIGURE 6.11 Resulting hierarchy from complete linkage applied to the data of Figure 6.10. Thicker lines correspond to higher levels in the hierarchy, and thus to larger clusters. 

Figure 6. Heat map of a small cluster of related antihistaminic drugs. 149 pharmacological assays are clustered on the X-axis and 10 compounds are clustered on the Y-axis. Clustering is performed using Pearson correlation and complete linkage using a pICso data set. For nonhits with primary screening % inhibition values of less than 20%, a default pICso value of 3.5 was used. Non-hits and above 20% inhibition received a default pICso value of 4.0. The pICso values range from the default value of 3.5 (blue-green) to 9 (red). Black spaces indicate data that is missing due to compound interference with the detection method.

Here too, Pearson clustering with complete linkage can be applied to identify compounds with similar ADME profiles. Having identified BioPrint drugs with similar ADME profiles, the BioPrint pharmacokinetics database (which contains literature pharmacokinetic data on over 1000 drugs) is queried and predictions for the test compound are made based on the pharmacokinetic profile of the ADME nearest neighbors. 

Complete linkage, furthest neighbor - uses the greatest distance between any two samples in the different clusters. 

Complete linkage 0.5 0.5 0 0.5 max(diUk + da k) Many small clusters... 

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