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Molecular structure programs schemes

W.T. Wipke H) first achieved the canonicalization of a molecular structure representation in a computer program that includes all aspects of stereochemistry. In some other schemes, stereochemistry is not invoked to aid in the mambering of the atoms. Such schemes are incomplete. If we relegate stereochemistry to a footnote and the numbering of the atoms and the connection tables of two isomers can be the same, then we lose most of the above-stated advantages of canonicalizing. [Pg.131]

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See also in sourсe #XX -- [ Pg.167 ]



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