Numbering CANON constitutional

Jochum, C. and Gasteiger, J. (1977). Canonical Numbering and Constitutional Symmetry. J.Chem.Inf.Comput.ScL, 17,113-117. 

Ivanciuc, O. (2003b) Canonical numbering and constitutional symmetry, in Handbook of Chemoinformatics, Vol. 1 (ed. J. Gasteiger), Wdey-VCH Verlag GmbH, Weinheim, Germany, pp. 139-160. 

See, for example, M. Razinger, K. Balasubramanian, and M. E. Munk,/. Chem. Inf. Comput. Sci., 33, 197 (1993). Graph Automorphism Perception Algorithms in Computer-Enhanced Structure Elucidation. C. Jochum and J. Gasteiger, J. Chem. Inf. Comput. Sci., 17, 113 (1977). Canonical Numbering and Constitutional Symmetry. See also Ref. 7... 

Canonical Numbering and Constitutional Symmetry Combinatorial Chemistry De Novo Ligand Design Diversity of Chemical Libraries Graph Theory in Chemistry Symmetry in Chemistry. 

See Canonical Numbering and Constitutional Symmetry and Graph Theory in Chemistry. 

Canonical Numbering and Constitutional Symmetry Chemical Abstracts Service Information System Graph Theory in Chemistry Inorganic Three-dimensional Structure Databases Polymers Structural Representation Standard Exchange Formats for Spectral Data Structure and Substructure Searching Structure Databases Structure Representation Three-dimensional Structure Generation Automation Three-dimensional Structure Searching. 

An encoding of a molecular structure based on its connection table, which represents only the constitution of a molecule without consideration of atom coordinates, bond lengths, or bond angles. See Canonical Numbering and Constitutional Symmetry Graph Theory in Chemistry and Structure Representation. 

The methine carbon atom also obtains an EC value of 4 (= 1 -h 1 + 2) in the second iteration. This process is repeated iteratively until the number of different EC values (c) is lower than or equal to the number of EC values in the previous iteration. Then the relaxation procc.ss is terminated. Next, the EC numbers of the previous iteration are taken for a canonical numbering and for the determination of constitutional symmetry (Figure 2-44),... 

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