Chemical topology

Wilkens SJ, Janes J, Su AL. (2005) HierS Hierarchical scaffold clustering using topological chemical graphs. J. Med. Chem. 48 3182-3193. 

D. Walba, Stereochemical topology, Chemical Applications of Topology and Graph Theory, ed. R.B. King, Studies in Physical and Theoretical Chemistry, Vol. 28, Elsevier, Amsterdam, 1983, 17-32. 

Balaban, A.T, Mekenyan, O. and Bonchev, D. (1985b). Unique Description of Chemical Structures Based on Hierarchically Ordered Extended Connectivities (HOC Fh-ocedures). III. Topological, Chemical, and Stereochemical Coding of Molecular Structure. J.Comput.Chem., 6, 562-569. 

Balaban, A.T, Bonchev, D. and Seitz, W.A. (1993a). Topological/Chemical Distances and Graph Centers in Molecular Graphs with Multiple Bonds. J.Mol.Struct. (Theochem), 280,253-260. 

GANN 17% (n— 10) Constitutional, topological, chemical, geometrical, and quantum mechanical (n — 15)... 

PharmSearch. Institut National de Propriete Industrielle, Paris. Pharmaceutical patents indexed by INPI, the French Patent Office, with chemical structures searchable in the Mar-kush DARC system on Questel-Orbit. Abstracts, bibliographic information, and proprietary indexing from one patent per family. PharmSearch shares the topological chemical structure... 

Characterization of Transferred Fiims. Many analytical techniques are used to study transferred films. The film characteristics typically of interest are thickness, interlayer spacing, molecular orientation and packing, film coverage, surface topology, chemical composition, and optical and magnetic properties. The techniques used to study these parameters are well described in the literature (1,2,4). 

A. T. Balaban, D. Bonchev, and W. A. Seitz, Topological/chemical distances and graph centers in molecular graphs with multiple bonds. Mol. Struct. (Theochem.) 280 (1993) 253. 

Discrete Chemical Topology Chemical Bonding and Graph Theory... 

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