Morton E. Munk

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The concept of graph symmetry is explained in terms of the vertex automorphism group, which is a subgroup of the complete vertex permutation group. The automorphism group can be deduced from the automorphism partition of graph vertices. An algorithm is described which constructs the automorphism group of a graph from the automorphism vertex partitioning.(More)
A powerful vertex-partitioning algorithm is developed and applied for vertex partitioning of graphs of chemical and spectroscopic interest. The codes developed on the basis of these algorithms are tested and compared for performance with other methods based on the Morgan algorithm and the principal eigenvector algorithm based on the Givens-Householder(More)
A neural network which utilized data from the infrared spectra, carbon-13 NMR spectra, and molecular formulas of organic compounds was developed. The network, which had one layer of hidden units, was trained by backpropagation; network parameters were determined by a simplex optimization procedure. A database of 1560 compounds was used for training and(More)
The existence of stereoisomerism can be related to the presence of structural features referred to as stereocenters. On the basis of this relationship, computer software capable of generating all stereoisomers of a given constitutional isomer has been developed. Input to the program is a canonical connection table. In an initial step the stereocenters(More)
SESAMI, a comprehensive program for the elucidation of the structure of complex compounds of carbon, incorporates a structure reduction-based structure genearator (COCOA). Observed limitations with this program in the solution of higher molecular weight unknowns prompted the development of a structure generator (HOUDINI) which embodies a new concept,(More)