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Computer handling of chemical

A variety of algorithms for the computer handling of chemical structure information have been described. The techniques for... [Pg.141]

Lynch, Michael F., Judith M. Harrison, William G. Town, and Janet E. Ash, Computer Handling of Chemical Structure Information, American Elseview Publishing Company, Inc., New York, N.Y., 1971. [Pg.151]

Marshall, G. R., H. E. Bosshard, and R. A. Ellis, "Computer Handling of Chemical Structures Applications in Crystallography, Conformational Analysis, and Drug Design," in Computer Representation and Manipulation of Chemical Infor-mation, ed. W. T. Wipke and others, John Wiley 8 Sons, Inc., New York, N.Y., 1974. [Pg.154]

The identification and evaluation of the similarity of chemical structures in an objective and quantitative way is one of goals of chemical structure handling by computer. Conventionally, the problem of structural similarity of chemical compounds has been solved by chemists in an essentially intuitive way based on visual perception. The methods discussed herein are different from conventional substructure search technique. As already stated, the problem of computer handling of chemical structures is not only of the utmost importance in attempts... [Pg.131]

Lynch, M. F., Harrison, J. M., Town, W. G., Ash, J. E. Computer handling of chemical structure information. London Macdonald 1971... [Pg.126]


See other pages where Computer handling of chemical is mentioned: [Pg.17]    [Pg.128]    [Pg.129]    [Pg.131]    [Pg.133]    [Pg.135]    [Pg.137]    [Pg.139]    [Pg.141]    [Pg.143]    [Pg.145]    [Pg.147]    [Pg.149]    [Pg.151]    [Pg.153]    [Pg.413]    [Pg.90]    [Pg.147]    [Pg.419]    [Pg.142]   


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