Hierarchic classification

Any more complicated reaction scheme involving several bonds can be classified accordingly. Thus, a comprehensive system for a hierarchical classification of reactions can be built. 

HORACE used alternating phases of classification (which topological or physicochemical features are required for a reaction type) and generalization (which features are allowed and can be eliminated) to produce a hierarchical classification of a set of reaction instances. 

CA Orengo, AD Michie, S Jones, DT Jones, MB Swindells, JM Thornton. CATH—A hierarchic classification of protein domain structures. Stnrcture 5 1093-1108, 1997. 

Fig. 30.12. Forgy snon-hierarchical classification method. A,. ..,G are objects to be classified 1,..., 4 are successive centroids of clusters.

Given the intermediate labels from the GPC pattern and sensor interpreters, a KBS is used to map them into the diagnostic labels of interest. However, because the output dimension of the problem is large (at over 300 possible malfunctions), a hierarchical classification system is used to decompose the process into a hierarchical set of malfunction categories that... 

Principles and types of modular series have been summarized in a book by Ferraris et al. (2004). A hierarchical classification of structure has been introduced as well as the application of modularity to structure description and modelling. The order/disorder theory has been presented as fundamental to developing a systematic theory of polytypism, dealing with structures based on both ordered and disordered stacking of one or more layers. The structures of a great number of compounds (minerals, complex oxides, salts, etc.) have been described and discussed. 

The establishment of hierarchical classification schemes for chemical structures allows for organizing systematically large chemical libraries in structurally related groups. All molecular scaffolds can now be associated into groups of structurally related molecular frameworks and. 

The adoption of hierarchical classification schemes for both chemical and biological entities makes the storage and analysis of annotated chemical libraries computationally tractable and reduced to managing binary annotation matrices. These binary matrices are often visually illustrated as heatmaps (Fig. 7), where red indicates that the molecule is annotated to a target (i.e. shows biological activity under a certain criteria), while green... 

Yamashita, F., Hara, H., Ito, T., Hashida, M. Novel hierarchical classification and visualization method for multiobjective optimization of drug properties application to structure-activity relationship analysis of cytochrome P450 metabolism. J. Chem. Inf. Model. 2008, 48, 364-9. 

Attwood, T. K., Croning, M. D. R. and Gaulton, A. (2001) Deriving structural and functional insights firom a ligand-based hierarchical classification of G protein-coupled receptors. Protein Eng 15, 7-12. 

On the basis of the binary codification of the responses to the previously described tests, a hierarchical classification was done for each water sample. A partial dendrogram was established for each sample, and the totality of the strains isolated during the experiment were compared in a general dendrogram. 

The CATH protein domain database (http //www.biochem.ucl.ac.uk/bsm/cath) is a hierarchical classification of protein domain structures into evolutionary families and structural groupings depending on sequence and structure similarity (Pearl et al, 2000). The protein domains are classified according to four major levels. 

A hierarchic classification of chemical reactions is implied by the theory of the BE-and R-matrices (ref. 9). This classification is a powerful device in the deductive computer assisted solution of chemical problems. 

Now all of the BE-pairs (B,E) are generated by exhaustive combination of the valence schemes that had been elaborated for the rows/columns. Within the hierarchic classification of chemical reactions, thus the level of basis reactions is reached. Subsequently chemical elements are assigned to the rows/columns of (B,E), and finally the unused valences of the reactive centers are supplied with residues as specified by the user. 

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