Complete-link clustering

In single-link clustering, the proximity between two clusters is the minimum distance between any pair of items (one from each cluster), that is, the closest pair of points between each cluster. In contrast, in complete-link clustering, the proximity between two clusters is the maximum distance between any pair of items, that is, the farthest pair of points between each cluster. Single-link and complete-link represent the extremes of SAHN clustering. In... 

Figure 2.8. Nearest neighbor complete link cluster dendrogram for the stationary phases in Table 2.6. The system constants from the solvation parameter model were used as variables.

Figure 4 Nearest neighbor complete link cluster dendrogram for the stationary phases In Table 8.

Agglomerative methods, such as single link and complete link, are stepwise procedures. The formulation in (5)-(7) allows us to define the hierarchical clustering problem in terms of combinatorial optimization. To do this, however, we need an appropriate internal clustering criterion. The most obvious is squared error. 

Each group s responses were also analyzed by complete-link CA, a technique that forms a cluster of items only if each one is perceived to be similar to every other one in the cluster. The irregularly shaped closed figures around the letters in Figure 3.2 show the results of the CAs. In almost all cases, the items found to be... 

Cluster analysis is an alternative to principal component analysis for the classification of samples by multivariate analysis. The outputs for clustering algorithms are dendrograms. The complete link dendrogram for the stationary phases listed in Table 2.6 is shown in Figure 2.8. The stationary phases most similar to each other are next to each... 

This completes the outline of FAMUSAMM. The algorithm has been implemented in the MD simulation program EGO VIII [48] in a sequential and a parallelized version the latter has been implemented and tested on a number of distributed memory parallel computers, e.g., IBM SP2, Cray T3E, Parsytec CC and ethernet-linked workstation clusters running PVM or MPI. 

Two other well defined carboranes 55g and 76 (vide infra, Section 3.2.7) are present in the reaction mixture containing 64c (vide infra, Scheme 3.2-35). Although pure 55g could not be isolated, its solution-state structure follows from a complete set of NMR spectra [71b], This unusual carborane is a spiro derivative without precedence and belongs to the family of 2,3,5-tricarba-mdo-hexaboranes(7). Ab initio MO calculations and NMR data indicate that the boron atom linked to the C3B3-framework by an endohedral C-B bond takes part in the cluster bonding [71b] (similar to an endohedral C-H bond in the other carboranes 55). 

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