Hierarchical 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. 

SCOP Structural Classification of Proteins. Hierarchical protein structure database... 

Fig. 4. Example of international patent classification (stmctured, hierarchical), where numbers ia square brackets identify edition of IPC ia which class was first used. In C07c 45/50, the first four characters iadicate section C (chemistry). Class 07 (organic chemistry), and subclass c (acycHc compounds) the number 45 /00 iadicates the preparation of compounds having carbonyl groups bound only to carbon or hydrogen atoms by any method and 45 /50...

Fig. 5. Example of U.S. patent classification (unstmctured, hierarchical). This is one of a series of classes considered as iategral parts of Class 260, foUowiag...

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. 

Figure 2.2 Classification of different types of porous materials, (a) A purely microporous zeolite is considered as a non-hierarchical system according to the single level of porosity, (b) Fragmentation of the zeolite into nanocrystals engenders a network of mesopores constituting the intercrystalline space, leading to an interconnected hierarchical system. Intraconnected...

Fig. 30.10. Hierarchical agglomerative classification of solvents according to solvent-solute and solvent-solvent interactions [13].

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

D. L. Massart, L. Kaufman and K.H. Esbensen, Hierarchical non-hierarchical clustering strategy and application to classification of iron-meteorites according to their trace element patterns. Anal. Chem., 54 (1982) 911-917. 

I. Bondarenko, H. Van Malderen, B. Treiger, P. Van Espen and R. Van Grieken, Hierarchical cluster analysis with stopping rules built on Akaike s information criterion for aerosol particle classification based on electron probe X-ray microanalysis. Chemom. Intell. Lab. Syst., 22 (1994) 87-95. 

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... 

Non-hierarchical cluster methods have in common with classification methods that pre-information on the number of classes is needed or desired to start an iteration process. In the course of the clustering a rearrangement of objects between several clusters is possible. 

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