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Fig. 6 | Journal of Cheminformatics

Fig. 6

From: How frequently do clusters occur in hierarchical clustering analysis? A graph theoretical approach to studying ties in proximity

Fig. 6

Comparing two dendrograms (\(D_1\) and \(D_2\)) from 5 % samples for the HCA of molecular descriptors shows two conserved zones at right and left-hand sides, indicating no change in the classification as resulting from ties. The cluster in the center of both dendrograms is divided into four subclusters shown with different colours, which change when comparing the two dendrograms. For example, in the blue cluster, descriptors NTRIAZOLES and NN-N appear together in \(D_1\) and are separated in \(D_2\); likewise, it is seen that MOR22V, NARCOOR and NRCO in the red cluster of \(D_1\) are together and spread in different clusters in \(D_2\)

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